#DEFINITION	Reference Metabolome for Triticum aestivum
#IDENTTFIER	RefMeta-Triticum aestivum.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Triticum aestivum
#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 Triticum aestivum was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.654
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07285	4.5
74.10293	0.7
80.49359	0.6
83.08498	1.1
83.26299	0.7
86.09631	54.0
95.08537	1.0
98.98398	3.0
104.10683	82.5
120.46997	0.8
124.99970	32.9
136.67433	0.8
138.15361	0.7
184.07312	100.0
185.07643	1.1
248.47847	0.8
339.28745	1.7
352.08124	1.0
367.09772	0.8
504.34457	6.0
522.35455	71.3
523.35803	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	1002.6
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06499	0.9
71.07288	7.0
71.08549	14.0
72.08068	1.9
79.05401	1.0
81.06966	6.2
83.08523	6.3
85.10116	9.0
85.62370	0.9
86.09624	45.9
95.08519	7.7
97.10114	1.7
103.07533	1.9
104.10688	18.4
109.10098	5.9
124.71060	1.0
124.99963	5.6
146.98160	57.0
150.27303	1.0
164.99205	1.9
184.07318	13.0
199.06363	1.2
239.23755	1.3
239.26074	1.0
257.24649	2.3
280.96631	2.1
313.27316	34.2
335.25211	1.0
459.24704	27.9
518.32092	100.0
519.31860	3.7
578.47430	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.604
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06510	1.2
71.07289	6.9
72.66277	0.3
79.05385	0.6
81.06967	2.3
83.08530	1.4
84.04372	0.3
86.09627	55.3
93.06974	1.4
95.08483	1.2
97.10062	0.4
98.98389	4.7
104.10681	93.9
105.11053	0.4
107.08536	0.5
109.10126	0.5
121.10070	0.6
124.99962	33.0
137.13359	0.3
143.01035	0.5
162.64101	0.3
163.01549	0.5
172.36145	0.3
181.02565	0.7
184.07309	100.0
185.07637	0.7
258.11081	0.5
295.27438	0.3
311.25851	1.4
337.27127	0.6
476.31143	6.7
494.32346	64.5
495.32648	2.4
669.51086	0.4
999.23535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.6193
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06490	0.7
71.07291	6.0
78.92294	0.4
79.05389	1.1
80.15462	0.4
81.06973	3.5
86.00371	0.4
86.09624	60.3
91.05357	0.6
93.06988	0.7
95.08517	2.1
98.98386	5.6
104.10679	86.2
124.99963	36.0
133.34935	0.5
133.77452	0.5
163.01547	0.5
184.07303	100.0
274.09335	0.5
284.91348	0.5
337.27100	0.8
439.25391	0.5
443.25775	0.5
502.32788	6.7
520.33862	70.5
521.33789	2.5
522.29364	0.5
548.67822	0.5
1014.82001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1008.6457
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04909	2.9
71.08539	7.6
79.05412	36.1
81.03343	3.0
81.06975	100.0
83.04890	9.2
83.08540	23.4
85.02822	6.6
85.06515	1.9
85.10136	1.6
86.09629	2.4
91.03890	2.1
91.05410	24.8
93.06971	39.5
95.04898	8.7
95.08529	64.5
97.02814	3.3
97.06455	7.4
97.10101	8.3
99.08023	3.4
105.06997	17.6
107.08533	29.7
107.37295	1.9
109.10115	41.1
110.89774	1.4
111.08053	6.5
113.09559	1.5
117.06979	6.6
119.08509	12.1
121.10101	16.8
123.11637	9.7
125.09583	3.4
127.03889	2.6
129.07011	1.9
131.08516	7.1
133.10110	14.4
135.11649	9.5
137.09566	1.5
137.13199	2.3
147.07932	1.6
147.11656	7.7
149.13283	10.1
151.11165	3.6
153.14229	1.4
159.11661	6.4
161.13229	6.6
163.14821	1.9
165.12738	2.9
173.11693	2.7
175.14749	1.6
184.07370	5.6
195.13771	2.3
201.16301	1.5
227.12759	1.9
229.14316	16.9
245.22470	1.8
259.20450	1.6
263.23666	6.8
269.17432	23.6
277.21533	8.1
295.22641	1.9
324.23779	1.7
332.84985	1.5
337.27304	86.6
346.46365	1.5
351.25238	12.4
369.26312	6.9
491.37106	29.9
492.37314	2.0
531.40363	93.3
532.40833	2.0
539.56897	1.9
573.40875	1.8
613.48169	36.6
631.49207	23.8
632.50305	2.2
675.44275	3.7
854.75354	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	1011.6406
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06505	0.2
71.07291	6.4
79.05405	0.7
81.06981	3.0
82.35004	0.1
83.08537	0.7
86.09628	55.8
87.09958	0.5
91.05405	0.7
93.06957	0.9
95.08531	2.2
97.10111	0.1
98.98397	4.1
102.54253	0.1
104.10682	87.9
105.06960	0.3
105.11021	0.7
107.08548	0.4
108.39013	0.1
109.10097	0.7
111.11749	0.1
121.10065	0.4
123.11702	0.1
124.99965	35.1
126.00347	0.1
133.10092	0.2
135.11649	0.2
142.60580	0.1
143.01031	0.6
163.01517	0.9
175.14766	0.1
181.02522	0.2
184.07312	100.0
185.07780	0.8
199.03659	0.1
258.10867	0.8
298.40881	0.1
324.16504	0.1
337.27328	1.3
396.78970	0.1
443.25391	0.5
502.32813	6.4
503.33493	0.2
507.13223	0.1
515.75995	0.1
520.33905	70.5
521.34247	2.4
552.90796	0.1
656.57385	0.1
684.18616	0.1
959.78546	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	1013.6021
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11673	0.6
73.02848	2.8
79.05411	1.0
81.03358	2.2
81.06986	3.1
83.08560	1.0
85.02829	6.0
91.03931	2.7
91.05476	0.7
93.06989	0.9
95.08562	2.4
97.02823	4.9
97.10149	0.9
99.04416	1.0
101.02320	0.8
109.10167	0.9
115.04096	0.6
121.10144	0.7
127.03923	1.1
185.04225	0.8
243.08459	1.1
337.27295	0.9
347.09549	3.0
353.23303	1.3
405.13687	6.9
412.36920	0.8
425.98636	0.6
434.97855	0.7
521.30743	9.0
571.30798	5.7
683.35962	10.6
684.37201	0.7
733.36169	3.7
849.47583	0.7
851.55060	1.2
1012.57922	0.8
1013.60046	100.0
1014.60187	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	1013.6565
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07294	4.4
78.04290	0.3
83.08521	0.3
86.09630	47.3
87.09958	0.5
98.98392	4.2
104.10687	25.4
104.90551	0.3
124.99966	31.0
140.35121	0.3
143.00995	0.7
184.07312	100.0
185.07668	1.2
194.14413	0.3
194.79440	0.3
198.09007	0.4
260.81226	0.4
279.18518	0.3
300.40228	0.4
476.31000	2.1
494.32318	18.0
495.32458	1.5
502.32727	1.4
520.33929	15.6
521.34229	1.2
936.38080	0.4
957.26202	0.4
1013.65460	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	1014.5715
Annotation	Unknow
Peak:m/z	Relative Intensity
71.95152	0.9
72.08050	0.4
81.06955	0.3
82.19442	0.2
83.44891	0.2
84.04429	0.2
84.08063	0.6
87.12938	0.2
89.02491	0.2
90.69118	0.2
91.05397	0.3
94.04099	1.2
95.16492	0.3
98.97504	22.8
111.48950	0.3
116.98564	43.4
120.08067	0.3
122.03618	2.5
129.10234	0.3
134.19066	0.2
134.99622	54.1
137.05948	39.0
137.07057	0.6
138.06276	0.4
139.83836	0.3
140.00165	1.4
153.00681	12.8
158.01205	2.6
176.02330	0.3
197.01144	2.4
198.01964	1.3
208.09869	0.3
211.02832	1.7
215.02139	0.9
216.02985	0.5
220.00415	1.6
220.02322	0.3
224.09486	2.0
225.08075	0.5
226.11102	15.0
227.05801	0.4
229.03833	0.3
235.02715	32.2
236.03033	0.4
238.01442	3.3
241.03772	0.6
242.10585	1.7
244.12155	15.1
253.03773	100.0
254.03944	1.2
256.02490	0.3
267.05371	0.3
267.13745	1.0
268.12158	3.0
269.59381	0.3
271.04825	7.5
276.05350	7.1
280.12207	1.1
286.09274	0.2
286.13116	1.2
286.87878	0.3
298.13287	0.4
298.46689	0.2
329.12878	2.2
344.15189	6.1
362.16272	3.0
404.17349	99.6
405.17651	2.6
407.23050	0.2
422.18634	0.5
591.50244	0.3
745.80579	0.3
771.43201	0.3
886.44183	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5666
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04897	0.9
71.08538	0.9
72.23744	0.2
75.04402	0.4
78.15763	0.2
79.05408	10.4
81.03349	0.3
81.06975	39.7
82.07322	0.4
83.04905	1.3
83.08538	9.9
84.08074	0.2
85.06467	0.9
91.05406	7.8
93.06971	11.2
95.04890	1.3
95.08533	31.0
96.08862	0.4
97.06463	2.2
97.10115	4.6
97.10727	0.3
98.98399	31.3
99.08025	0.4
99.80953	0.2
105.06984	5.5
107.08537	6.8
109.06486	0.4
109.10109	10.5
111.08031	1.2
111.11674	0.5
116.99454	1.2
117.06950	0.4
119.08537	4.7
121.10101	5.2
123.08018	1.1
123.11657	3.9
125.09554	0.4
131.08537	0.3
133.10101	4.0
135.11659	2.9
137.09567	0.4
137.13234	1.5
139.11172	0.2
146.67172	0.3
147.11693	2.4
149.13211	1.6
151.11218	0.2
151.14796	0.5
155.01022	11.7
161.13252	2.2
163.14777	1.6
165.12646	0.2
173.02081	3.7
175.14812	1.3
189.16266	0.4
203.17960	0.3
211.03673	0.4
223.16805	0.2
229.04718	1.0
244.23553	0.2
245.22546	1.7
247.05713	1.1
263.23666	2.7
290.77692	0.3
319.26254	0.5
337.27304	100.0
338.27679	4.9
373.54550	0.2
473.19742	0.5
473.26498	9.1
474.26498	0.3
508.50354	0.2
813.48431	0.3
877.68121	0.3
987.21942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.6871
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67529	0.2
71.07290	4.9
83.08498	0.2
86.09628	44.3
87.09966	0.8
95.08530	0.3
98.98403	4.1
104.10680	28.8
105.11034	0.3
109.10065	0.2
124.99965	30.7
143.00995	0.4
184.07309	100.0
185.07695	1.7
198.08955	0.6
206.77547	0.2
258.10974	0.2
313.27252	1.1
419.53064	0.2
478.32614	1.9
479.33118	0.3
496.33932	20.7
497.34265	1.4
504.34299	1.1
510.35324	0.3
522.35498	15.8
523.35742	1.2
583.40118	0.2
692.61847	0.2
698.76349	0.2
818.10834	0.2
921.04102	0.2
1017.68805	5.7
1018.69189	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	1024.5876
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07300	7.2
78.93325	1.0
79.05388	1.1
81.06960	4.0
86.09628	66.1
91.05394	1.9
93.06976	2.0
95.08501	2.0
98.80453	0.9
98.98402	5.4
99.49559	0.8
101.56805	0.8
104.10687	100.0
105.06927	0.9
107.08517	1.1
109.10150	0.9
124.99967	37.4
143.01105	1.1
163.01410	1.0
175.89119	0.8
184.07309	96.4
185.07492	1.5
330.33453	0.8
335.25626	1.1
500.31290	6.3
518.32373	65.9
519.32422	3.3
587.07690	0.9
656.67224	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1028.6193
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07292	3.5
81.06963	0.5
83.08569	0.1
85.98903	0.1
86.09629	35.8
87.09959	0.2
95.08512	0.5
98.98405	4.0
103.76436	0.1
104.10677	3.1
107.08524	0.1
124.99968	27.6
143.01038	0.8
169.92734	0.1
184.07314	100.0
185.07689	1.0
222.79654	0.1
256.36642	0.1
288.71954	0.1
502.32712	1.4
520.33899	17.7
521.34186	0.9
913.66913	0.1
1027.57129	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	1029.6301
Annotation	Unknow
Peak:m/z	Relative Intensity
71.96703	0.5
72.08062	2.9
79.16471	0.5
79.68989	0.5
81.06957	1.1
83.08529	0.8
86.09624	57.9
86.92004	0.5
87.09974	2.2
92.64501	0.6
95.08527	1.2
98.98402	5.1
102.09076	0.7
104.10677	100.0
105.10406	0.6
105.11008	3.8
124.99032	0.9
124.99956	25.5
139.01500	2.1
146.98184	3.1
153.07759	0.5
181.02443	0.8
182.98917	0.7
183.53081	0.9
184.07300	72.8
185.07733	2.1
198.08894	2.7
201.00104	2.8
223.99692	0.7
236.94151	0.7
239.01588	1.0
240.09978	1.2
254.95354	0.9
262.95706	2.0
280.96689	3.0
313.27460	1.2
322.02734	1.0
339.28864	1.1
340.28842	0.7
348.04318	0.8
459.24799	2.3
475.21909	0.7
478.32941	3.0
496.33902	16.9
497.34348	0.6
518.32574	4.1
519.32544	1.0
522.34729	0.9
534.28381	5.8
534.36194	8.3
544.33514	0.7
545.34137	0.7
612.89600	0.6
768.00165	0.7
768.50018	1.0
976.46545	0.7
1028.66382	0.9
1029.17261	8.0
1029.67566	10.4
1030.17346	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	1033.6636
Annotation	Unknow
Peak:m/z	Relative Intensity
139.40942	1.0
168.43306	1.2
169.11749	1.2
232.29770	1.2
312.23056	1.4
330.87073	1.2
515.31836	100.0
516.31897	5.2
541.33429	55.1
542.33533	1.7
648.93225	1.5
859.50232	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	1034.6498
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08053	0.5
79.05399	1.7
79.38927	0.2
81.06977	7.9
81.38448	0.3
82.07304	0.4
83.08540	2.7
85.10100	1.7
86.09630	30.8
87.09948	1.1
91.05418	1.0
93.06985	2.2
95.08543	7.0
97.06443	0.4
97.10095	1.3
98.98395	0.6
100.06384	0.2
104.10683	100.0
105.06981	0.4
105.11003	1.8
107.08543	0.5
109.10088	3.4
119.08525	0.5
121.10099	1.4
123.11668	1.2
124.99971	6.6
133.10095	1.3
135.11722	0.3
137.13271	0.3
146.98161	19.5
147.11673	1.0
149.13219	0.3
151.14847	0.3
161.13336	0.3
164.99225	0.9
172.95210	0.6
176.99239	0.5
179.37827	0.2
181.02748	0.3
184.07306	21.1
185.06229	0.2
185.07648	1.9
186.07732	0.4
188.00696	0.3
190.96280	0.5
193.08835	0.3
198.96823	1.2
216.97871	1.2
239.23932	0.3
240.09755	0.3
245.22588	1.7
246.22937	0.4
263.23767	2.6
264.24033	0.5
313.27298	11.0
314.27753	0.4
321.22836	1.9
322.23135	0.3
330.46664	0.3
335.41882	0.3
337.27283	2.3
338.27805	1.4
339.28992	0.6
381.70343	0.3
415.22159	1.9
459.24756	34.9
460.25168	1.7
478.32608	0.3
485.26181	0.3
496.33728	0.4
515.31165	0.3
517.82184	0.3
518.32111	65.8
519.32318	4.1
522.35394	1.3
523.35931	0.6
524.36005	0.3
544.33966	1.3
775.98669	1.9
776.48505	1.7
776.98724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1038.6841
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05418	0.2
81.06973	1.4
83.08545	1.6
86.09628	54.0
87.09975	0.4
93.06977	0.4
95.08533	1.6
97.10110	0.6
98.98395	4.8
104.10684	87.1
105.11064	0.5
109.10099	0.4
121.10099	0.4
124.99967	34.3
133.34061	0.2
143.01053	1.3
163.01498	0.4
168.38115	0.3
184.07312	100.0
185.07719	1.1
219.11266	0.3
258.10962	0.5
339.28979	1.9
430.74948	0.3
504.34344	6.5
507.85934	0.3
522.35486	73.2
523.35767	4.2
775.32452	0.3
978.56165	0.3
1039.59607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.6707
Annotation	Unknow
Peak:m/z	Relative Intensity
74.77114	0.2
77.63088	0.2
79.05400	0.5
81.06963	2.6
81.11059	0.2
82.79198	0.2
86.09628	63.3
91.05450	0.3
93.06975	0.6
94.25825	0.2
95.08539	1.8
98.98392	4.8
104.10681	90.6
105.06992	0.3
109.10098	0.4
124.99963	39.7
139.01590	0.4
142.00072	0.2
143.01021	1.2
163.01547	1.0
163.14769	0.2
181.02603	0.3
184.07309	100.0
198.09084	0.4
337.27350	1.0
502.32864	7.1
520.33905	80.5
521.34125	1.3
534.35492	1.3
623.43793	1.3
835.39978	0.3
890.06982	0.3
991.17975	0.4
1032.25562	0.3
1039.66943	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	104.1069
Annotation	Choline chloride
Peak:m/z	Relative Intensity
53.28552	0.0
58.06529	1.6
59.07308	0.5
60.08094	17.7
61.08447	0.1
69.03348	0.0
73.50272	0.0
82.17006	0.0
82.81781	0.0
83.08146	0.0
86.09645	0.0
87.04407	0.3
88.07484	0.0
104.10676	100.0
105.10361	0.1
105.10992	0.7
113.06132	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	1047.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
91.71738	0.2
94.03490	0.2
102.07892	0.2
118.08585	0.3
125.02245	0.2
193.79533	0.2
363.06839	0.3
381.07870	6.3
424.17508	0.2
432.88040	0.2
543.13159	100.0
544.13574	3.7
705.18573	2.1
724.16370	0.2
875.94983	0.2
958.98108	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.666
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05418	3.3
81.06503	0.4
81.06974	9.0
81.19122	0.2
83.04897	0.3
83.08543	8.9
85.06451	0.4
85.10093	1.0
86.09631	33.0
87.09956	0.4
91.05417	0.4
93.06980	5.5
95.04881	0.3
95.07967	0.4
95.08539	8.9
97.06456	1.5
97.10100	5.8
104.10680	7.6
105.11013	0.2
107.08553	3.8
109.10113	4.7
111.08025	0.8
111.11689	1.9
117.86521	0.2
121.10104	5.4
121.10946	0.4
123.11659	1.1
124.99976	1.8
125.09581	0.9
129.21278	0.2
135.11665	4.7
137.13174	0.3
139.11125	0.2
146.98167	51.4
149.13258	1.9
151.14813	0.2
153.12811	0.2
162.15500	0.2
163.14812	1.1
164.99176	1.9
165.16283	0.3
167.14151	0.2
172.95316	0.2
177.16353	0.3
181.02557	0.3
184.07294	2.6
188.00754	0.4
191.17830	0.3
198.96809	0.3
216.97783	1.4
240.09891	1.3
247.24155	0.3
265.25204	1.0
278.93164	0.4
336.43835	0.2
339.28900	25.1
340.29370	1.2
361.27139	1.2
362.89890	0.2
472.76520	0.2
485.26321	28.9
486.26636	0.9
541.32623	1.5
541.82916	1.1
543.32941	0.4
544.33673	100.0
545.34100	5.2
740.85114	0.3
760.25348	0.3
765.84167	0.2
801.99701	2.3
802.50037	1.4
803.00610	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.683
Annotation	Unknow
Peak:m/z	Relative Intensity
75.22638	0.5
79.05404	1.0
79.86647	0.5
80.39344	0.5
81.06976	3.2
83.08543	2.3
86.09628	28.6
93.06977	2.3
95.08537	2.7
97.10118	0.8
99.34809	0.5
104.10683	100.0
105.11015	2.8
113.21042	0.5
119.08507	0.5
121.10072	1.9
124.99970	4.5
135.11650	0.5
146.98161	17.7
146.99254	0.9
149.13168	0.6
176.99255	0.7
177.65947	0.5
184.07323	14.4
185.07762	0.8
189.85681	0.5
199.39424	0.5
238.53462	0.5
314.55679	0.6
339.28876	10.3
340.29257	0.9
411.20602	0.6
441.23624	1.2
485.26312	32.9
486.26620	1.9
494.09079	0.5
504.34604	1.0
522.35498	6.9
523.35358	0.7
544.33673	68.6
545.33844	3.3
550.31097	1.2
573.25610	1.0
574.26129	1.1
575.25110	3.2
576.26904	0.7
688.93726	0.6
1065.68542	6.7
1103.53809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.6248
Annotation	Unknow
Peak:m/z	Relative Intensity
75.46722	0.9
86.09628	28.5
104.10681	100.0
170.03725	1.0
239.60342	1.1
251.94731	1.0
259.88895	1.2
301.88968	1.0
404.21863	1.3
499.22113	28.2
558.29480	97.8
559.29602	2.3
792.59381	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0914
Annotation	DMPO
Peak:m/z	Relative Intensity
50.26444	0.2
50.51590	0.2
52.85225	0.2
53.66851	0.2
55.01811	1.8
55.05449	1.1
56.96498	1.4
58.02888	0.3
59.04935	2.3
59.52112	0.3
60.95779	0.3
64.33224	0.2
66.04709	0.2
66.10358	0.2
67.05424	0.9
68.04931	1.4
68.52631	0.4
69.03346	4.2
69.06985	6.9
70.06498	0.8
71.02901	11.1
71.08546	0.4
71.52937	0.4
72.04423	1.3
72.08055	1.1
72.93698	0.8
75.67392	0.2
75.81408	0.2
79.05408	9.1
80.03419	10.7
80.53477	0.3
82.53680	1.2
84.08066	0.2
85.81989	0.2
86.05970	0.4
86.09603	0.9
87.00746	1.1
87.04391	3.0
91.02264	0.3
91.48112	0.4
91.54221	0.5
96.08049	6.3
97.02823	1.2
97.06464	2.8
100.02370	0.4
100.48640	1.5
100.58321	0.2
104.90749	0.9
109.49213	0.2
114.05556	1.6
114.09119	100.0
114.36787	0.3
115.03876	6.0
115.09451	1.5
118.03488	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0914
Annotation	epsilon-Caprolactam
Peak:m/z	Relative Intensity
50.51601	0.3
53.00256	0.2
53.80729	0.2
55.01814	0.6
55.05455	1.3
55.13473	0.2
56.92450	0.2
56.96502	3.2
57.03383	0.3
57.07012	4.5
58.02897	100.0
59.03238	0.4
59.04937	4.7
59.37427	0.2
59.52129	1.1
60.95792	1.1
62.02350	0.4
67.93503	0.2
68.04955	1.6
68.52639	0.5
69.03352	9.5
69.06986	3.3
70.06509	0.3
71.02905	17.8
71.52956	1.6
72.04445	0.4
72.08076	2.3
72.93703	1.9
73.02814	0.5
73.06470	0.3
78.88967	0.2
79.00281	0.2
79.05408	0.4
80.03421	16.1
80.53454	0.6
82.53702	3.3
83.04916	0.3
85.02831	0.5
86.05999	1.5
87.00755	3.7
87.04389	6.9
89.03944	1.9
90.94758	0.6
91.02243	0.4
91.05676	0.3
91.48133	1.7
91.52023	0.5
91.54228	1.2
92.01272	0.4
92.63740	0.2
96.04432	0.3
96.05222	0.3
96.08080	0.4
97.02836	2.6
97.06428	0.4
98.02333	0.4
100.02433	1.1
100.48662	2.9
104.90784	2.2
109.49212	0.5
111.53507	0.2
113.96394	0.3
114.05493	3.0
114.09121	34.3
115.03885	13.4
115.04839	0.2
115.05087	0.3
115.09412	0.3
118.03452	1.8
126.53464	0.3
134.48264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1144.6782
Annotation	Unknow
Peak:m/z	Relative Intensity
83.06001	1.4
84.04429	9.7
84.08045	4.8
86.09631	55.6
88.43683	0.9
98.98404	2.2
101.07063	1.9
104.10683	88.1
105.11028	1.0
115.08623	4.6
120.08049	5.2
124.99965	25.0
129.06560	1.5
136.07542	1.5
141.24164	0.9
173.05629	0.9
184.07320	100.0
185.07713	1.3
194.94511	1.1
198.12268	1.5
226.11847	1.9
285.24268	2.2
354.17688	2.0
450.29584	6.5
468.30789	71.5
469.30957	5.2
490.85641	1.1
550.40289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1156.6735
Annotation	Unknow
Peak:m/z	Relative Intensity
81.06969	31.4
83.08529	5.5
84.04453	7.6
86.09641	7.9
88.25704	4.0
91.05422	5.7
93.06970	6.6
95.08547	30.4
98.98412	8.6
103.04708	4.1
104.10688	7.0
107.08527	7.9
109.10117	9.5
111.94039	4.2
121.10122	5.3
124.99942	6.3
131.61691	4.5
184.07373	17.6
206.82816	4.5
263.23526	5.1
306.28018	13.6
337.27344	100.0
460.28116	32.9
478.29230	91.0
789.45239	4.7
1027.00354	5.2
1143.25024	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	1160.7062
Annotation	Unknow
Peak:m/z	Relative Intensity
81.06970	0.6
83.08540	0.3
84.04402	0.5
85.10090	0.6
86.09628	50.2
88.58329	0.4
95.08535	1.4
98.98393	5.2
104.10681	84.7
105.11016	0.5
105.72215	0.3
109.10098	0.5
120.08197	0.2
123.11618	0.3
124.99963	34.7
143.01045	1.2
163.01505	0.6
167.89842	0.3
184.07307	100.0
185.07623	0.4
258.10999	0.5
299.25711	3.6
308.29379	3.1
309.29880	1.7
310.30264	0.5
379.50427	0.3
405.23901	0.6
464.31271	7.7
482.32336	74.2
483.32455	2.6
527.82813	0.3
923.08209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0651
Annotation	Indole
Peak:m/z	Relative Intensity
55.05452	7.2
55.96445	0.7
56.96510	1.2
58.06266	1.0
58.06532	11.9
59.07318	15.2
72.05294	0.8
72.08070	37.7
75.46914	0.8
80.54788	1.1
91.05398	14.0
118.06494	80.1
118.08600	100.0
119.06869	1.2
123.98404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77200	0.6
56.96508	0.9
66.27881	0.6
68.52623	0.6
68.77502	0.6
69.03348	0.9
71.00970	0.6
76.94594	0.6
77.00819	0.8
83.74617	0.8
87.53411	1.1
91.05405	1.1
93.08056	0.8
100.02410	6.9
101.00830	7.1
101.02488	11.9
102.02185	1.3
103.93085	0.7
118.03464	4.6
118.41114	0.6
119.01882	100.0
119.03574	12.2
120.01990	1.2
120.03237	3.3
131.01913	1.2
137.02937	89.1
138.03024	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	119.085
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
72.08060	1.7
73.08390	2.9
79.05418	2.7
91.05405	46.2
92.10870	5.4
93.07008	2.3
103.05409	2.5
104.06178	3.2
105.33955	1.6
109.06487	1.7
112.85850	1.8
116.47147	1.9
117.06985	11.5
117.82803	1.5
119.08530	100.0
120.05527	3.2
123.34707	1.7
126.35545	1.6
130.17496	1.8
138.48677	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	123.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80325	1.0
56.96505	17.6
58.12679	1.4
58.39057	1.2
58.99789	5.2
67.50981	1.8
70.82870	1.2
72.52811	1.3
73.50043	1.2
76.51498	6.3
77.00819	1.4
79.01771	2.6
82.01365	11.7
88.02298	14.4
95.67387	1.3
97.02819	2.1
100.02416	100.0
103.28860	1.2
118.03471	92.3
118.85149	1.4
119.01867	9.0
119.03543	2.1
123.04009	1.5
137.02937	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0553
Annotation	Picolinamide
Peak:m/z	Relative Intensity
51.11622	0.1
53.03884	0.4
55.01809	0.1
55.89930	0.1
56.96503	26.0
57.03376	0.2
58.50473	0.3
58.99797	0.2
59.52131	0.3
60.35918	0.1
67.05421	0.2
67.50983	3.5
68.04939	0.2
68.52650	0.3
69.03339	0.2
70.01254	0.3
71.02899	0.7
74.97534	0.4
76.51498	5.5
78.03362	0.7
79.01768	12.1
79.51944	0.6
80.03410	1.2
80.04929	25.9
85.52044	1.2
88.02296	31.0
88.52469	1.7
91.00449	0.4
93.28820	0.2
95.04882	1.7
95.05994	0.4
96.04415	8.7
97.02824	4.5
97.52048	0.2
97.53001	0.2
99.53100	1.0
100.00966	0.8
100.02396	2.6
105.03726	0.2
105.04436	0.2
106.02827	1.7
114.38809	0.2
118.03474	3.0
121.01412	0.2
123.05502	100.0
123.09127	1.0
124.03910	8.7
124.04854	0.2
124.05829	1.2
124.07550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0393
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
51.10145	0.2
53.03892	0.3
56.96489	0.5
58.06543	0.3
68.04960	0.3
76.56557	0.3
78.06236	0.3
80.04932	12.8
81.05266	0.4
82.06495	4.8
84.08069	0.4
92.10275	0.8
95.52151	0.2
96.04413	10.1
96.96592	0.3
99.16698	0.3
119.01810	0.5
119.03526	0.4
124.03909	100.0
124.07541	1.2
124.08604	0.9
125.04245	2.6
137.02989	0.3
140.03421	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0393
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
50.21965	0.2
53.03875	0.5
56.96500	0.3
61.89789	0.2
62.87235	0.2
75.91312	0.2
78.03373	0.6
80.04471	0.5
80.04929	12.6
80.78262	0.2
81.05304	0.2
82.06510	0.5
84.60007	0.2
89.98862	0.2
93.10249	0.2
96.04420	9.4
104.64935	0.3
124.03913	100.0
124.07487	2.0
124.08669	1.4
125.04248	3.1
125.10687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	16.0
55.01800	13.4
56.96494	4.3
57.03370	5.4
58.06517	2.5
66.67365	2.3
69.03335	6.9
71.04902	4.8
79.00540	2.7
80.04933	6.7
81.03324	19.8
82.01370	4.6
83.01410	3.0
84.04440	10.5
87.61835	2.8
91.53624	2.9
92.03419	3.7
92.10877	3.4
99.04355	13.9
100.02435	40.6
100.54147	3.2
101.02505	20.2
101.03940	17.3
102.02174	34.8
103.00562	5.4
103.02467	6.3
104.90786	3.3
108.04408	51.0
109.02834	29.9
111.04359	3.3
115.02369	6.4
115.48702	2.9
117.02149	3.6
118.03472	35.9
119.03600	15.0
120.03230	25.6
121.01626	100.0
121.03520	11.3
126.03171	3.3
126.05467	29.2
127.03877	44.1
131.33223	3.3
133.01584	2.8
133.03439	6.4
134.03532	4.0
135.03185	6.1
139.02675	69.8
143.01881	4.8
144.01979	16.9
144.03236	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	127.05
Annotation	6-METHYLURACIL
Peak:m/z	Relative Intensity
53.03894	7.1
54.03395	3.6
55.01797	3.3
56.04971	5.5
56.96482	1.4
57.03350	0.8
57.95514	0.6
60.10726	0.6
64.50593	0.6
66.86195	0.6
69.03345	12.8
70.87684	0.6
71.04890	4.5
81.03333	23.9
81.04412	1.3
82.02848	5.5
82.06506	1.2
84.04425	15.8
84.08052	0.8
97.02823	2.9
99.04369	4.1
109.02825	38.8
109.03951	14.3
109.04695	1.2
110.02342	42.2
127.03867	65.0
127.04974	100.0
128.04271	1.2
128.07036	1.4
140.14900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	1.2
54.42807	0.8
55.05445	5.0
56.30585	0.8
56.96495	6.2
57.03363	1.5
58.06526	1.1
60.04456	31.3
67.05405	2.5
69.03333	1.8
69.06989	87.6
70.06472	0.8
72.04059	2.0
72.04432	34.3
73.24301	0.8
80.04902	1.7
82.03666	1.5
82.06499	28.4
83.04903	6.4
84.01472	2.0
84.04426	25.1
86.05995	4.1
86.09629	100.0
87.09950	1.1
93.02038	9.9
94.61577	1.0
100.07566	7.1
110.03152	5.7
110.05987	12.8
111.04380	1.4
128.04208	13.7
128.07048	27.0
128.08026	1.9
128.10677	43.3
129.05429	2.0
149.05779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.1069
Annotation	2-Acetonyl-3,5-dihydroxy-7-methoxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
54.03407	1.4
54.66455	0.5
55.01813	55.4
55.05436	1.3
56.96495	2.4
57.03352	0.9
57.06739	1.2
57.07010	31.2
65.03874	0.5
67.04166	0.5
68.04932	0.7
72.04430	100.0
72.08053	2.8
74.09622	6.6
80.04915	0.8
82.03661	0.8
82.06496	12.2
83.08507	0.7
84.01466	0.9
84.04436	5.0
86.05962	1.1
93.01990	2.8
100.07543	2.6
101.05966	0.7
110.03148	2.3
110.05982	4.2
128.04233	4.3
128.07054	14.8
128.10672	79.5
129.05432	0.8
139.42606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0498
Annotation	DL-Pyroglutamic acid
Peak:m/z	Relative Intensity
54.39942	0.3
56.04974	7.2
56.96498	1.7
67.05437	0.5
69.03349	6.4
69.06974	0.6
70.06507	39.0
70.62856	0.3
71.04899	2.6
74.02340	0.5
77.73691	0.4
80.39284	0.4
82.06495	0.8
84.04425	89.8
84.08064	100.0
85.02802	0.7
85.04748	0.5
94.06539	0.5
102.05465	0.5
112.07549	22.5
112.08670	4.4
113.05965	0.4
129.02621	0.4
130.04962	10.8
130.08607	35.4
130.09642	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	130.065
Annotation	Quinoline
Peak:m/z	Relative Intensity
50.90557	0.3
54.81393	0.4
55.80084	0.3
56.04978	0.5
56.96495	0.8
70.06504	0.5
84.04430	17.1
84.08054	0.7
95.04894	0.5
100.28098	0.5
103.05419	4.6
112.07568	3.0
114.79668	0.4
118.85847	0.4
130.04913	3.0
130.06496	100.0
130.08566	2.0
131.06844	1.0
146.05974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0862
Annotation	DL-Pipecolinic acid
Peak:m/z	Relative Intensity
52.88771	0.4
53.01217	0.3
55.05454	0.3
56.04979	3.5
56.96497	0.6
60.05582	0.3
65.40279	0.3
67.05419	0.7
69.03345	8.7
69.06996	0.6
70.06509	40.7
71.04904	2.1
74.02371	0.5
75.58919	0.3
75.82477	0.3
80.45299	0.4
82.06515	0.7
84.04427	41.3
84.08065	100.0
85.04762	0.6
85.06465	0.3
85.08408	1.5
104.95323	0.3
112.07552	31.6
112.08669	5.7
126.73371	0.3
130.04956	5.0
130.08607	34.6
130.09602	1.8
139.76785	0.3
143.45227	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.159
Annotation	Octylamine
Peak:m/z	Relative Intensity
56.04960	0.9
56.49274	0.7
57.07012	35.4
60.51554	0.6
68.04143	0.6
70.06489	1.0
71.04910	1.3
73.94708	0.6
74.09225	1.3
74.09629	30.2
84.04432	23.4
84.08070	0.7
92.63823	0.7
105.02041	0.7
112.07540	1.1
130.04988	2.8
130.08643	0.8
130.15886	100.0
131.16272	1.1
149.09799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89243	0.3
53.03885	1.7
55.74621	0.4
56.30979	0.3
56.96496	6.2
57.03375	1.7
59.53425	0.4
67.05441	1.1
68.95210	0.7
69.03336	0.6
69.06979	0.8
69.43990	0.5
70.03692	0.4
71.04903	0.8
74.97506	0.4
84.04450	0.4
85.02845	0.5
85.04745	3.1
85.06468	0.8
86.09632	6.8
92.01225	0.9
95.04909	5.9
97.02811	0.6
98.97536	1.9
103.05406	100.0
104.05756	0.9
105.04485	0.4
113.05938	0.7
113.07896	3.0
116.98557	0.6
131.04929	0.5
131.08972	1.1
146.99683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1018
Annotation	Isoleucine
Peak:m/z	Relative Intensity
51.15042	0.2
55.71012	0.2
58.06530	1.2
68.04954	0.3
69.06989	10.6
70.02871	0.3
70.58364	0.2
72.04420	0.3
74.02351	16.1
81.04462	0.3
82.00309	0.2
86.05984	1.1
86.09628	100.0
87.02616	0.3
87.05515	6.6
87.09963	1.3
88.03922	2.2
90.05490	0.3
92.63814	0.4
109.74948	0.3
112.02138	0.6
114.05464	0.3
116.03397	1.6
123.07901	0.6
132.10181	3.9
133.06038	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1018
Annotation	Isoleucine
Peak:m/z	Relative Intensity
52.86247	0.2
56.94193	0.2
67.52444	0.2
69.06982	5.8
74.92908	0.2
81.69772	0.2
86.09624	100.0
132.10187	1.8
135.71729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0607
Annotation	L-Asparagine
Peak:m/z	Relative Intensity
52.15147	0.3
54.79862	0.4
56.96514	0.7
58.99499	0.4
60.04452	0.8
61.01083	2.4
62.72624	0.5
69.03361	3.6
69.06985	0.5
70.02875	5.2
70.07324	0.9
71.01279	0.7
73.02837	0.9
74.02356	100.0
81.04446	0.7
85.01038	0.5
86.09641	4.0
87.02634	2.7
87.05521	31.4
87.06064	1.0
87.09966	8.1
88.02137	5.9
88.03915	13.7
88.07589	0.7
92.10891	0.5
97.02842	2.6
98.02347	0.7
112.02135	2.5
113.02919	1.1
116.03419	10.0
123.07892	3.7
133.03156	0.6
133.06035	7.1
134.04448	0.6
142.38031	0.4
144.04817	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0609
Annotation	[(ammonioacetyl)amino]acetate
Peak:m/z	Relative Intensity
56.96236	0.8
56.96503	19.8
57.03367	0.9
60.04446	0.6
61.02813	0.4
64.33804	0.4
69.03347	13.1
69.06988	2.1
70.02865	3.6
70.06518	1.2
70.07323	2.4
71.01277	3.0
72.08065	2.7
73.02828	4.3
74.02354	100.0
78.41739	0.4
81.03330	0.5
81.04462	0.8
81.23557	0.5
85.54709	0.5
86.09629	31.1
87.00777	0.5
87.02624	0.7
87.04394	2.5
87.05076	0.7
87.05516	35.1
87.09382	3.0
87.09960	48.2
88.02148	3.6
88.03915	15.1
89.02294	0.8
91.00433	2.0
97.02833	9.8
98.00677	1.0
98.52779	0.7
100.00980	5.6
103.73222	0.5
109.02810	0.9
110.01227	1.2
112.02118	3.6
113.02933	2.1
116.03409	8.9
118.52568	0.8
119.01730	1.0
121.01523	2.1
123.07877	5.7
128.02345	0.5
133.01640	0.5
133.06017	8.5
133.07594	1.0
133.10516	0.9
144.04831	0.5
149.81691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0615
Annotation	Adenine
Peak:m/z	Relative Intensity
50.07404	0.5
51.38524	0.5
56.96495	1.6
64.35316	0.6
68.62988	0.6
77.62435	0.7
94.03980	1.1
116.64691	0.8
119.03500	6.2
136.02118	5.2
136.06157	100.0
136.11201	8.3
137.04587	4.7
148.80939	0.6
153.14763	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
52.47001	0.1
71.75159	0.1
76.75176	0.1
84.32513	0.1
86.95996	0.1
90.00869	0.1
91.05409	3.5
92.02391	0.2
94.03979	1.8
97.82449	0.1
107.04884	0.1
109.05083	0.4
112.05049	0.2
119.03513	5.5
119.04820	1.0
136.06166	100.0
137.03508	0.2
137.04568	5.5
137.06584	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0616
Annotation	Adenine
Peak:m/z	Relative Intensity
94.00639	0.9
94.03979	1.1
104.25674	1.0
119.03494	5.3
136.06161	100.0
137.04559	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	136.0757
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
56.96501	4.1
58.02884	1.6
65.03853	0.4
67.05407	0.3
69.03362	0.3
69.06987	0.3
71.60351	0.3
80.05718	0.4
81.06995	0.4
84.82664	0.4
91.05402	100.0
92.01248	0.3
92.05733	2.0
93.05702	0.7
93.06958	0.4
95.04942	0.4
105.03347	2.3
108.08025	0.7
108.62726	0.3
114.61736	0.3
115.05512	0.3
118.06488	1.6
119.03514	1.3
121.08846	1.3
136.02122	5.8
136.06165	21.6
136.07550	16.1
136.11165	8.1
137.04568	1.4
137.05894	1.2
137.07045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0457
Annotation	Hypoxanthine
Peak:m/z	Relative Intensity
55.02935	0.5
56.96509	0.8
58.15547	0.3
69.25566	0.4
82.03965	0.9
94.03980	4.4
98.76090	0.4
108.02275	0.4
110.03481	10.0
119.01859	0.4
119.03506	5.2
129.30396	0.4
137.04567	100.0
138.05556	0.9
138.06532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
55.05869	1.1
67.63514	1.4
79.05360	1.7
94.04111	21.8
97.47129	1.2
122.03604	44.1
137.05952	100.0
152.42404	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	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03876	0.3
56.96502	0.3
63.29800	0.2
64.74123	0.2
65.03851	0.4
67.05423	0.4
69.00972	0.2
86.17781	0.2
87.67901	0.2
91.18835	0.2
92.04929	1.5
94.06501	13.2
96.04430	1.9
109.96439	0.2
110.06001	10.9
117.53905	0.3
119.55251	0.3
138.05481	100.0
139.05797	2.3
154.04906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0549
Annotation	Trigonelline
Peak:m/z	Relative Intensity
54.09059	0.2
54.59452	0.1
54.66451	0.1
56.31891	0.2
56.96502	5.2
59.89014	0.1
60.26952	0.2
65.03870	0.2
66.73659	0.2
67.05410	0.4
68.04954	0.3
70.92110	0.2
71.48295	0.2
73.57657	0.1
78.03359	1.0
79.04137	1.3
80.04918	0.3
94.06535	0.2
96.04416	12.7
106.02866	0.2
108.04415	3.4
109.05204	0.4
110.06005	0.8
111.03162	0.3
120.46093	0.2
124.03883	2.6
138.05472	100.0
139.05835	1.9
154.04987	0.3
157.32463	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98562	0.5
58.99800	0.7
64.20210	0.5
64.78667	0.5
90.13182	0.6
93.08212	0.5
98.41713	0.7
100.02411	0.7
101.00809	12.6
101.02521	2.5
105.72764	0.6
118.03449	1.3
119.01872	100.0
119.03593	3.2
120.01910	1.0
124.02371	0.9
137.02925	52.9
138.03143	0.9
142.03482	28.4
160.04530	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	142.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	0.6
55.01804	0.7
55.05433	1.2
56.04966	0.7
56.96506	43.5
57.03374	11.9
58.50468	1.5
59.06050	0.5
59.93034	2.2
60.04447	0.3
60.95779	2.8
61.02853	0.6
67.05417	0.5
67.50990	6.7
68.04955	0.4
69.03336	1.5
69.06989	31.7
70.01228	1.8
70.07317	0.4
71.04926	0.3
72.04439	0.3
74.05994	12.3
75.44501	0.3
76.51504	11.4
79.01771	40.4
81.52001	0.3
82.06506	0.6
83.00690	0.5
83.04910	0.3
84.04427	0.6
84.95905	0.3
85.02799	0.4
85.52017	2.2
86.02571	0.5
86.05991	11.5
86.09630	38.3
88.02300	100.0
90.52027	0.4
90.52561	4.4
91.02251	0.5
92.01205	1.2
95.03073	1.1
96.04433	0.4
96.08080	0.5
97.02827	18.8
97.06478	0.3
97.07574	2.3
98.01225	0.4
98.97516	1.8
99.01989	0.4
99.53095	9.9
100.07556	0.6
101.02467	0.3
102.02223	0.3
103.52032	0.6
104.07040	0.4
104.57292	0.3
105.02013	0.6
107.01792	0.3
108.53623	0.6
109.52060	0.3
110.01233	0.4
114.02533	0.6
116.98581	1.6
118.96709	5.6
119.01872	4.4
119.03600	0.6
120.02068	0.3
120.03307	0.4
124.07540	0.3
125.02322	3.0
128.02324	0.3
128.98569	0.3
134.99652	1.3
137.02945	2.8
142.03471	0.6
142.05002	0.4
142.08615	1.4
142.12254	11.5
143.03377	10.3
143.08163	2.8
146.99669	0.6
150.95671	0.4
153.28012	0.3
160.04564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00244	0.7
55.01817	0.5
55.05469	0.6
56.04973	1.2
56.96502	29.5
57.03381	0.7
57.07012	100.0
58.07354	0.8
58.50469	1.3
59.93033	2.4
60.04426	0.3
60.95778	2.4
67.50985	2.6
68.04933	0.5
69.03345	0.6
70.01198	0.3
70.18522	0.3
74.75757	0.3
75.00945	0.3
75.27222	0.3
76.51505	5.7
79.01763	23.1
82.06511	0.4
83.00719	0.6
84.04424	0.5
85.52048	1.3
88.02296	59.2
90.52560	3.2
91.38487	0.3
92.01252	1.9
92.10513	2.1
92.39680	0.3
95.03065	0.6
97.02821	12.2
97.07587	2.4
97.59750	0.3
98.97543	1.4
99.53093	7.0
100.07533	5.3
100.08054	0.3
102.02189	0.3
103.52048	0.5
105.44636	0.3
107.01779	0.4
108.53642	0.5
116.98572	1.1
118.96709	4.4
119.00145	0.7
119.01870	2.9
122.46685	0.3
125.02313	3.5
128.02335	0.4
128.98566	0.5
131.37848	0.3
137.01259	2.0
137.02974	2.0
142.03494	0.6
142.05061	0.4
142.08653	1.3
142.12247	3.5
143.03381	8.4
143.04393	0.4
143.08195	1.5
146.99692	0.4
150.95737	0.5
160.04597	0.5
163.02740	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	146.06
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
50.45282	0.7
58.93233	0.7
64.33250	0.7
64.68101	0.6
91.05405	20.0
99.83060	0.7
100.04739	1.9
109.35709	0.7
117.05691	5.2
118.06490	100.0
119.06811	1.7
128.04910	4.4
128.07016	0.9
135.36885	0.8
146.06003	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
51.11619	0.7
54.59020	0.7
57.86660	0.7
60.53982	0.7
69.03314	0.7
69.95434	0.8
72.05229	1.2
85.97469	0.7
86.96295	0.7
91.05399	18.8
100.04735	1.9
100.07561	0.9
111.69525	0.7
117.05713	4.2
118.06491	100.0
119.06844	1.4
123.04997	0.8
125.63194	1.0
128.04094	1.1
128.04926	10.5
128.07001	0.9
146.05995	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0923
Annotation	4-Guanidinobutanoic acid
Peak:m/z	Relative Intensity
50.63861	0.8
54.87543	1.1
60.05581	27.1
68.04956	1.1
69.03348	8.9
77.74876	1.2
83.06009	1.1
83.26920	1.2
86.05456	1.3
86.05987	79.0
87.04395	100.0
87.06290	1.3
88.04700	1.5
92.10878	1.1
100.11184	21.4
104.07037	18.0
111.05524	14.5
127.95412	1.3
128.08131	11.6
129.06599	1.9
146.09224	92.8
146.11739	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	146.0924
Annotation	4-Guanidinobutanoic acid
Peak:m/z	Relative Intensity
51.90759	0.5
54.81898	0.6
56.04965	1.2
60.05582	24.5
60.32993	0.6
60.63030	0.7
69.03350	5.7
83.06010	3.9
84.04415	3.4
84.08067	0.6
86.05991	73.8
87.04396	100.0
88.04727	1.4
92.64357	0.7
94.59846	0.7
100.11157	1.1
101.29727	0.8
104.07047	16.3
111.05515	13.0
111.34113	0.7
123.68250	0.7
128.07262	1.0
128.08165	13.0
129.06561	2.7
132.89653	0.6
146.09222	89.4
147.09659	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1652
Annotation	Spermidine
Peak:m/z	Relative Intensity
53.03890	3.1
54.81279	0.5
55.01814	3.6
55.05480	0.5
56.96495	1.2
57.03400	0.7
58.06532	5.3
58.37217	0.4
58.99825	0.6
59.91999	0.4
60.41168	0.5
66.39050	0.5
69.03359	1.1
71.04908	3.5
72.05234	0.6
72.08073	100.0
73.08418	1.0
74.52633	1.1
75.09166	3.8
79.42883	0.5
81.03335	2.7
82.01369	1.1
84.08070	9.8
85.42398	0.6
85.53662	0.8
86.99276	0.8
94.54187	0.7
97.02833	0.8
99.04388	8.6
99.53410	3.2
100.02422	13.8
100.03475	1.0
100.04719	2.4
100.53245	0.6
101.02572	2.2
102.02207	3.8
102.52357	0.7
102.95112	0.6
103.00439	0.6
103.02338	0.7
105.00285	0.6
109.02816	1.0
110.07143	0.8
111.02887	1.0
111.52974	0.7
112.11202	21.2
113.53162	6.4
114.03242	1.3
114.53033	1.2
115.02409	3.2
115.85229	0.6
116.02441	0.9
117.02126	0.8
118.03477	13.9
119.01879	4.0
119.03569	2.3
120.02041	0.7
120.03255	3.8
121.01621	3.7
122.53647	2.6
123.02072	2.2
127.03885	3.2
129.13831	9.2
133.03448	6.6
134.03590	0.7
135.03181	1.2
137.02956	2.4
139.02675	2.7
141.03099	0.8
142.03491	0.8
143.01884	11.9
144.02017	1.4
144.03215	0.9
144.74231	0.6
145.01662	2.6
145.03458	0.8
146.08133	0.7
146.16470	7.0
150.62888	0.6
156.05074	1.3
157.03479	1.3
161.02937	12.1
162.03105	3.1
163.02672	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	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.13629	0.3
64.12570	0.4
65.03857	7.2
66.46460	0.4
84.04401	0.6
91.05402	86.9
92.05708	0.6
93.68103	0.4
94.31008	0.4
94.76882	0.5
110.49291	0.4
114.55704	0.4
119.04893	100.0
120.05259	2.6
121.23312	0.4
123.96368	0.6
147.04384	66.5
148.04742	1.6
153.57097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03869	31.0
67.29025	1.3
71.07278	1.4
74.72174	1.4
76.19031	1.5
76.55960	1.6
77.48137	1.3
78.05711	1.4
82.34000	1.5
93.03329	8.0
99.07263	1.6
108.04418	3.3
108.08063	8.2
111.04385	9.3
121.02818	38.0
121.03939	9.4
126.05475	2.4
131.62727	1.5
149.02322	100.0
150.12753	6.3
167.03368	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	152.0566
Annotation	Guanine
Peak:m/z	Relative Intensity
66.57810	0.5
68.49081	0.4
70.69429	0.7
80.62115	0.5
109.05073	2.9
110.03490	10.5
111.56338	0.5
128.04533	7.7
134.04588	0.8
135.02985	15.8
152.05653	100.0
153.04054	45.4
154.02425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0566
Annotation	Guanine
Peak:m/z	Relative Intensity
57.35047	0.5
80.04392	0.5
84.82592	0.5
96.34040	0.6
103.99549	0.6
109.05062	1.0
110.03479	12.9
114.37106	0.5
128.04515	7.9
130.03644	0.7
134.04553	0.9
135.03000	17.9
152.05646	100.0
153.04044	46.5
153.05983	1.7
154.02380	0.8
168.11255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0567
Annotation	Guanine
Peak:m/z	Relative Intensity
56.74313	0.5
81.85137	0.6
109.05066	1.1
110.03481	14.2
128.04503	8.2
134.04617	0.8
135.02980	12.3
152.05649	100.0
153.04053	42.2
154.02469	0.7
170.80945	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	Vanillin
Peak:m/z	Relative Intensity
56.96496	1.8
65.03864	64.2
66.04194	0.5
68.23290	0.4
69.87405	0.3
79.05392	0.4
89.39809	0.3
93.03330	30.5
97.06471	0.4
106.01691	0.4
107.34467	0.4
110.03609	8.1
111.04388	100.0
112.04700	0.7
125.05949	43.4
126.06319	0.5
136.07515	0.4
140.98480	0.3
153.05443	19.1
156.17647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	6.3
55.01793	1.8
55.05437	6.9
56.96501	100.0
57.03362	6.9
57.07016	1.5
61.02846	1.5
65.03844	1.6
67.05416	9.9
68.04932	1.5
68.96239	2.1
69.03333	7.1
69.96083	2.0
71.04899	7.9
71.94008	7.8
71.95170	2.2
72.93693	14.1
74.97492	2.5
79.05394	6.2
80.04922	6.6
81.03333	6.8
81.06970	14.0
82.06483	9.2
83.04898	2.6
83.27498	1.5
84.08047	2.2
84.95910	2.4
87.04392	5.7
90.94747	3.4
91.02271	1.4
91.05405	3.3
91.26051	1.4
94.06490	10.7
94.86006	1.6
95.04883	11.4
95.53131	2.1
96.01458	6.9
96.08075	1.7
97.02832	11.8
97.99113	5.7
98.05965	1.8
98.97449	2.2
99.04372	12.6
100.44489	1.6
104.01245	2.0
105.02009	9.3
108.08047	16.9
108.84234	1.3
108.95821	1.6
109.02809	2.2
109.06470	18.6
110.01214	19.0
110.06000	25.0
110.51367	1.5
111.02057	1.8
111.04360	1.7
111.06771	9.2
112.07574	2.1
112.58844	1.3
113.01734	3.5
113.96356	3.2
115.52059	1.9
116.00145	7.4
116.52793	2.2
117.43780	1.8
118.03440	2.0
118.06505	2.4
119.01760	25.4
119.51883	2.0
120.02519	2.9
120.60264	1.4
121.51986	2.2
123.04377	6.2
123.06746	26.9
124.07569	14.3
124.52583	2.0
125.08338	2.7
126.05455	3.2
126.09098	9.2
127.03835	9.9
127.07512	1.9
128.02257	6.9
130.52576	5.5
131.01859	2.9
131.96194	1.9
131.97385	8.1
136.03912	2.2
136.07547	48.9
137.05922	7.9
137.98251	1.9
139.53123	1.9
140.98564	12.1
142.03487	2.8
148.97377	2.7
149.01131	2.1
149.97166	16.9
154.03554	1.6
154.04956	6.3
154.08600	92.5
155.00188	1.7
155.03305	1.7
155.06979	8.9
155.09038	1.7
156.41209	1.7
158.99617	28.1
161.01170	3.2
164.74136	1.5
167.98236	1.5
173.01128	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	154.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58172	1.9
53.00251	2.2
53.20012	2.2
55.01794	5.7
55.05455	2.4
56.96484	16.0
58.36258	1.7
65.72549	2.1
67.05429	3.9
69.03341	5.7
69.06989	100.0
69.24142	2.0
70.06494	15.2
71.94016	15.7
71.95166	2.4
72.93687	5.7
80.10899	2.3
81.06975	2.7
84.08080	8.1
86.09624	29.2
91.93661	2.3
94.06493	3.3
98.00688	3.6
98.05972	14.4
99.00574	5.0
107.23642	2.2
108.01135	2.2
108.08141	2.3
112.96632	2.6
126.05420	2.3
130.97685	4.2
131.97398	5.6
136.07536	14.1
149.97105	4.5
154.04985	3.1
154.08588	11.0
154.12216	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	158.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96502	24.0
64.33439	0.6
64.34111	0.5
65.62214	0.4
66.87406	0.5
68.54455	0.4
71.95168	2.4
71.95938	0.5
74.82374	0.6
98.97511	97.8
100.02387	0.9
114.36977	0.6
116.98566	100.0
134.99622	71.5
135.04948	0.5
152.99522	0.9
153.00684	14.6
158.01216	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	160.1332
Annotation	Ethyl leucinate
Peak:m/z	Relative Intensity
55.05453	2.6
55.97815	0.4
57.03363	0.6
58.06534	26.6
59.04927	6.6
59.07314	21.2
60.08096	57.0
62.17167	0.3
69.06982	0.4
73.06450	1.8
96.08050	0.7
114.05179	0.4
131.17775	0.3
133.50272	0.4
160.13300	100.0
161.13618	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	160.1331
Annotation	2-Aminooctanoic acid
Peak:m/z	Relative Intensity
55.05448	0.3
56.96497	1.8
58.06538	5.0
59.04936	20.6
59.07294	0.4
60.05582	0.4
60.08094	1.7
65.21251	0.4
69.03361	1.4
69.06992	7.3
70.06510	0.9
72.08070	2.1
73.06463	1.9
78.64228	0.4
84.08061	1.4
85.08854	5.1
86.05984	5.4
86.09624	1.6
88.62420	0.3
98.97539	0.5
100.07562	0.7
101.05959	44.7
101.99985	0.3
102.06277	0.4
114.12761	100.0
115.13114	1.7
118.06485	1.6
118.08620	2.7
119.01878	4.4
128.08186	1.6
137.02936	2.5
142.03502	0.6
143.08084	0.4
160.04604	0.4
160.07600	1.6
160.09500	0.5
160.10809	12.7
160.13309	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	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74334	0.3
59.16820	0.3
59.68439	0.4
60.29070	0.4
76.55975	0.4
80.46222	0.4
81.73731	0.4
94.47398	0.4
101.00796	8.7
102.00887	2.2
109.94147	0.4
119.01872	100.0
120.01955	15.7
121.01628	1.8
133.03436	0.5
137.02928	64.4
138.03012	10.0
142.03456	2.4
143.03592	9.4
144.03206	0.9
153.03917	0.5
160.04486	0.5
161.02946	3.1
161.04636	5.7
162.04285	0.9
179.03998	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	161.1073
Annotation	Tryptamine
Peak:m/z	Relative Intensity
53.03898	0.1
54.88668	0.1
55.01806	0.4
55.05453	0.3
56.04979	0.2
56.96500	2.9
60.95763	0.7
67.05416	0.3
68.99733	0.1
69.03342	0.2
69.06984	0.7
79.05395	0.4
80.27380	0.1
81.07005	0.2
82.38762	0.1
84.08044	0.2
85.02827	0.2
91.05404	0.7
95.04867	0.3
97.02841	0.2
100.02390	0.2
102.96796	0.7
103.05417	0.4
105.06978	0.3
113.02284	0.2
113.03496	0.2
115.05407	1.3
116.06220	0.2
116.06976	0.2
116.98591	0.3
117.05691	0.7
117.06083	0.2
117.06961	6.5
118.03458	0.2
118.06466	0.9
119.01861	1.0
119.06815	0.9
120.97850	1.3
132.08113	0.2
133.08409	0.2
134.06006	0.2
137.02951	0.3
138.03090	0.2
138.04332	0.2
138.98882	1.4
139.01753	0.3
141.41154	0.2
143.07274	3.6
144.08064	100.0
145.06570	1.4
145.08403	2.8
155.06052	0.8
157.00098	0.2
161.07111	0.7
161.10789	0.3
162.05435	0.4
162.11221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.076
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
52.49930	0.4
53.03877	0.6
55.01807	0.8
55.05448	6.4
56.04977	19.3
57.03354	1.2
58.06520	0.4
58.81542	0.4
60.08088	2.0
61.02878	0.6
67.42767	0.4
69.03352	4.8
70.06511	6.3
71.04910	0.9
73.02811	1.9
73.06462	3.2
74.05996	0.7
81.03329	0.6
84.04429	100.0
84.08059	3.3
85.02829	7.4
86.83100	0.4
87.04418	0.6
88.03927	0.5
90.05474	2.4
97.02856	0.8
98.05981	6.1
99.04430	3.6
102.05486	3.2
102.09114	8.1
103.03873	2.7
114.87375	0.5
116.07044	33.4
117.05454	0.5
120.06502	0.8
124.06357	0.4
127.03920	0.6
130.04979	12.9
144.06544	0.7
144.10201	0.5
145.04921	4.7
162.05505	0.6
162.07608	3.5
162.11220	10.2
168.00121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.076
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
50.25062	0.3
53.03894	0.4
53.70530	0.3
55.01802	0.7
55.05455	4.3
56.04975	20.3
56.96508	0.9
57.03364	0.8
59.74256	0.3
60.08091	1.9
61.02841	2.0
68.04935	0.4
69.03354	4.8
70.06508	3.2
71.04903	0.9
73.02859	0.8
73.06457	3.6
74.05973	0.7
81.03326	0.8
84.04430	100.0
84.08067	3.4
85.02831	5.1
87.04399	0.6
90.05490	2.3
91.01665	0.3
95.01291	0.5
97.02818	0.5
98.05990	5.6
98.09633	0.7
99.04402	3.3
102.05478	2.4
102.09117	6.1
103.03878	2.4
116.07042	28.9
117.05486	0.6
123.34332	0.4
124.93432	0.3
127.03940	0.4
130.04970	11.5
144.06557	2.1
145.04936	4.3
154.21547	0.3
156.84651	0.4
162.05518	0.5
162.07594	3.8
162.11232	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	162.1124
Annotation	L-Carnitine
Peak:m/z	Relative Intensity
55.05190	0.9
55.05451	24.8
56.04961	3.3
57.03373	2.4
58.06522	3.7
59.07312	0.9
59.61843	0.6
60.08094	29.3
62.19634	0.5
65.64172	0.6
69.03342	0.9
69.69240	0.7
70.06139	1.0
70.06512	26.5
71.04907	4.5
72.04417	4.2
72.08067	0.7
73.06096	0.9
73.06467	17.3
76.07538	1.1
80.87965	0.6
84.03946	0.8
84.04430	18.1
84.07589	1.0
84.08064	18.0
85.02827	20.6
85.06458	2.7
85.66792	0.8
87.04386	10.0
90.05477	12.7
98.05989	5.0
98.09630	0.9
99.10371	0.7
102.09114	50.8
103.03876	37.8
112.08658	2.7
116.07053	6.7
118.08612	2.9
121.01590	0.6
126.09122	3.4
130.04926	2.6
152.11433	0.6
162.11218	100.0
163.11525	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	3.4
54.81930	0.4
55.01812	0.3
56.45554	0.3
56.96505	2.5
57.03372	0.9
57.06998	0.6
59.04940	0.4
63.92871	0.5
65.03864	12.7
66.29279	0.4
67.05420	0.5
69.03332	0.8
70.03677	1.5
70.59525	0.4
71.04916	0.4
80.04929	100.0
81.03326	2.3
81.06978	0.5
82.01369	0.5
90.03352	1.0
92.04926	0.8
93.05627	0.5
94.06479	0.5
94.90378	0.4
100.02391	5.0
108.04401	5.8
111.04375	1.6
118.03465	4.7
118.05753	0.5
119.01871	5.8
119.03648	2.3
119.04899	2.4
119.97820	0.6
122.05956	0.6
130.00928	0.7
136.03918	20.0
136.07579	0.7
137.02940	2.3
138.96455	0.4
139.01492	0.5
142.03459	2.4
146.08151	0.5
160.04501	1.7
164.03387	36.7
164.07027	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	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	5.5
55.01791	1.4
55.05464	1.4
56.04967	2.4
57.03371	5.8
69.03352	12.3
74.02345	7.7
81.03336	2.7
83.04926	5.1
85.02832	3.4
91.05416	16.4
94.08467	1.3
95.04897	73.7
99.04371	1.4
101.00800	3.0
103.05360	1.7
109.06484	1.4
111.04377	1.5
119.01881	85.7
119.04889	25.7
123.04388	100.0
124.02408	1.7
124.03867	1.6
137.02937	51.1
137.05991	2.5
142.03491	30.5
147.04430	12.3
160.04562	15.2
165.05339	5.8
165.10196	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	165.0545
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
51.78670	0.8
53.03878	4.5
63.34241	0.7
65.61959	0.7
77.03806	1.3
77.67830	0.8
80.93921	0.9
91.05409	15.6
92.64976	1.0
93.06986	1.1
95.04897	97.4
103.05397	3.6
105.04462	1.6
109.06446	1.9
111.44627	1.0
119.01852	5.0
119.04894	37.2
121.06446	1.4
123.04384	100.0
124.04736	1.5
135.49681	1.0
136.83717	0.9
137.02946	1.9
137.05928	1.2
138.68460	0.9
142.05833	0.8
147.04434	11.7
147.05522	1.7
159.11221	0.9
165.05417	1.7
165.10187	1.0
166.07158	2.1
167.05634	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	166.0862
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
53.03889	0.3
55.80544	0.2
58.07279	0.2
59.75924	0.2
79.05399	2.0
82.76546	0.2
91.05397	1.3
93.06960	3.2
95.04877	0.9
96.56700	0.2
103.05406	14.8
107.04895	2.3
118.06543	0.2
120.08057	100.0
121.08376	0.2
131.04887	1.7
157.26312	0.2
166.08647	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	167.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82014	0.4
55.04362	0.3
68.81512	0.4
77.44910	0.5
94.48977	0.4
102.02132	0.6
103.00577	10.9
103.01237	0.8
119.01858	0.8
120.01968	4.1
121.01620	100.0
121.02293	4.1
126.02162	1.0
138.03030	3.0
139.02675	47.2
143.03557	0.7
144.03197	37.2
152.66817	0.4
161.04736	0.6
162.04236	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	167.0701
Annotation	2,4-Dihydroxy-3,6-dimethylbenzaldehyde
Peak:m/z	Relative Intensity
66.88085	2.0
67.01798	23.5
76.66494	2.2
91.05422	12.1
93.06963	47.0
95.04909	13.0
121.06432	11.9
123.74521	2.4
139.07535	15.5
144.74203	2.7
149.05954	25.8
167.06996	100.0
167.15480	4.3
168.07268	3.3
173.14714	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	167.0702
Annotation	Ethylparaben
Peak:m/z	Relative Intensity
51.25706	2.1
54.16614	1.9
54.89975	2.2
55.01803	3.8
56.96500	22.2
65.03859	4.9
67.05418	12.3
68.05764	10.6
69.03358	3.2
69.06989	3.1
78.04633	4.4
79.05430	6.5
81.06987	4.4
84.95951	5.2
85.02848	2.9
91.05394	3.6
93.06966	3.8
95.04899	6.4
96.08093	2.8
103.00594	3.4
107.04917	3.6
107.08539	4.7
109.02848	3.8
109.06516	3.5
110.03618	3.3
111.04366	3.9
119.15876	2.5
120.01972	3.5
121.01628	88.2
121.02825	100.0
121.03713	4.4
121.06426	2.9
121.07589	3.3
121.08395	4.8
122.06014	3.2
123.04449	8.2
124.05214	3.0
125.05963	6.1
131.08473	2.9
139.02670	54.7
139.05840	11.2
144.03201	35.8
144.98209	3.6
149.02336	45.0
149.05977	15.5
149.09535	3.7
162.04263	24.0
167.03374	3.7
167.07010	48.3
167.08179	3.5
167.10571	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	3,4'-Dihydroxypropiophenone
Peak:m/z	Relative Intensity
52.68853	0.3
52.88420	0.3
52.99088	0.3
55.01815	0.5
56.96509	2.4
61.27412	0.3
65.03856	2.9
69.06985	0.4
73.02831	6.2
74.18901	0.3
78.04631	2.5
79.05024	0.4
79.05402	2.5
81.06960	0.5
83.04907	0.4
84.95943	1.3
91.05407	2.1
93.03374	0.4
93.06985	1.6
95.04913	2.7
100.56580	0.3
103.00569	0.4
103.05373	0.8
106.04129	0.5
107.04887	0.8
107.08517	0.4
108.94995	0.3
109.02853	0.6
109.06438	0.6
111.04385	4.1
116.98584	0.4
119.04896	3.9
121.01640	9.7
121.02821	100.0
121.04716	3.1
121.06456	4.9
121.08369	0.4
122.03150	0.8
123.04382	5.1
124.05167	1.6
137.05917	0.4
139.02655	5.0
139.95770	0.3
144.03206	4.6
149.02344	3.8
149.04192	0.5
149.04721	0.6
149.05957	15.8
150.66374	0.3
151.03960	0.5
152.04688	0.8
161.13448	0.4
162.04286	1.5
167.03403	0.5
167.05554	0.7
167.06998	17.9
168.10205	0.4
169.48962	0.3
173.78850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Ethylparaben
Peak:m/z	Relative Intensity
51.25706	2.1
54.16614	1.9
54.89975	2.2
55.01803	3.8
56.96500	22.2
65.03859	4.9
67.05418	12.3
68.05764	10.6
69.03358	3.2
69.06989	3.1
78.04633	4.4
79.05430	6.5
81.06987	4.4
84.95951	5.2
85.02848	2.9
91.05394	3.6
93.06966	3.8
95.04899	6.4
96.08093	2.8
103.00594	3.4
107.04917	3.6
107.08539	4.7
109.02848	3.8
109.06516	3.5
110.03618	3.3
111.04366	3.9
119.15876	2.5
120.01972	3.5
121.01628	88.2
121.02825	100.0
121.03713	4.4
121.06426	2.9
121.07589	3.3
121.08395	4.8
122.06014	3.2
123.04449	8.2
124.05214	3.0
125.05963	6.1
131.08473	2.9
139.02670	54.7
139.05840	11.2
144.03201	35.8
144.98209	3.6
149.02336	45.0
149.05977	15.5
149.09535	3.7
162.04263	24.0
167.03374	3.7
167.07010	48.3
167.08179	3.5
167.10571	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	169.076
Annotation	Norharman
Peak:m/z	Relative Intensity
52.68537	0.2
56.96498	0.2
57.14516	0.1
63.05311	0.2
65.03865	0.2
81.46252	0.2
81.77150	0.2
87.93010	0.2
105.72845	0.2
115.05401	1.4
124.61701	0.2
141.05455	0.2
142.06526	0.8
142.67543	0.1
168.06789	0.7
169.07582	100.0
170.07915	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	(6E)-8-Oxogeraniol
Peak:m/z	Relative Intensity
53.03877	1.7
53.62418	1.0
55.01797	2.2
55.05456	9.7
55.05667	1.3
55.93462	1.7
56.96506	14.0
57.03370	4.3
57.06995	7.2
59.04905	1.2
59.27119	1.1
65.03868	11.1
67.05428	31.0
67.94248	1.1
68.93499	1.3
69.03336	5.9
69.06978	12.7
71.04901	4.7
71.08558	1.7
79.05397	6.2
80.04905	1.4
81.03301	4.5
81.06968	27.0
83.04890	1.9
83.08522	2.8
85.02824	1.5
85.06464	22.3
91.05375	1.1
92.47954	1.0
92.63374	1.1
93.03316	1.5
93.06973	6.7
95.04868	5.5
95.07956	2.2
95.08534	41.3
98.97447	1.1
99.04358	1.6
99.08091	1.2
105.06921	1.9
107.08487	1.2
109.02805	5.4
109.06437	6.8
109.10105	42.1
110.06003	1.3
111.00728	8.0
111.03765	1.3
111.04393	15.8
111.08029	33.2
115.05392	1.2
121.10085	1.9
123.04423	1.7
123.08024	6.2
123.11660	6.7
124.07551	1.7
125.05956	2.2
126.03091	7.1
127.03867	1.5
127.11129	22.1
127.97222	1.3
128.07068	1.5
128.95023	2.9
133.10080	1.7
134.05966	2.2
141.05447	20.0
146.96078	7.1
151.03853	4.7
151.11119	2.4
152.03391	17.3
152.07030	2.1
169.04884	8.2
169.07556	100.0
169.12180	12.2
170.08015	7.2
170.09427	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	169.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00239	1.9
53.03871	2.0
54.12358	1.3
55.01785	1.4
55.05445	14.6
56.96503	23.7
57.03369	4.7
57.06998	8.8
65.03861	12.2
67.05427	51.0
68.93501	1.2
69.06987	12.0
71.04893	3.1
71.08527	2.4
79.05400	7.8
81.03339	3.4
81.06973	49.9
83.08536	2.8
85.06472	27.0
85.10092	2.2
93.03335	1.9
93.05721	1.5
93.06972	2.8
95.04883	2.1
95.08533	100.0
97.02811	1.5
99.08025	8.0
100.98365	1.4
109.02863	11.5
109.06430	3.0
109.10104	26.4
111.00781	2.8
111.04409	16.6
111.11646	1.2
113.09591	2.6
115.05435	1.9
116.00157	1.8
120.04375	1.7
123.07999	10.3
125.05933	2.3
126.03075	8.7
127.03820	1.7
128.95042	1.6
128.98502	1.7
141.05450	16.6
143.00114	2.5
151.03879	1.8
151.14804	4.9
152.03380	16.6
152.07025	3.0
161.01187	24.2
169.04929	9.4
169.06136	2.9
169.07561	91.7
169.15875	6.0
170.04442	2.6
170.08034	5.4
173.01198	2.0
179.02242	15.9
184.02867	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	169.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00218	1.0
55.01799	1.6
55.05454	11.4
56.65706	1.1
56.96502	25.3
57.03354	5.4
57.06999	5.2
65.03862	10.3
67.05080	1.2
67.05431	31.7
69.03339	1.7
69.06995	9.2
71.04883	5.6
71.08557	1.7
75.44969	1.1
79.05394	7.5
81.03337	2.6
81.06979	35.7
83.04876	1.7
83.08524	2.6
84.04416	1.4
85.06458	17.5
93.06940	5.3
95.04861	2.6
95.08533	58.3
97.99102	1.3
98.05949	1.3
99.08025	5.3
100.03889	2.2
105.06979	1.6
108.08084	1.5
109.02843	5.6
109.06454	2.7
109.10118	20.0
110.05988	1.3
111.00747	6.5
111.04417	17.4
111.07980	1.2
116.98554	1.3
121.31460	1.2
123.08048	1.9
123.11670	2.5
125.05972	1.9
126.03103	7.2
128.95042	2.0
129.03662	1.3
133.05177	1.3
134.05974	1.4
141.05426	19.4
146.05911	1.3
146.96123	2.9
151.03896	3.0
151.14856	2.5
152.03394	20.1
152.07047	2.1
159.03253	2.0
161.01132	1.3
169.04965	7.8
169.07568	100.0
169.15849	2.7
170.08026	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	170.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	0.9
56.96495	1.7
70.38143	0.8
71.93732	0.7
72.95915	0.7
86.06100	0.7
96.08087	0.7
96.35452	0.8
110.06046	2.3
113.24799	0.9
115.05407	61.3
116.04957	1.1
124.07539	1.6
134.05981	1.3
142.06503	33.4
145.70157	0.8
148.53583	0.9
152.07039	4.3
153.67003	0.9
170.05974	100.0
170.07950	5.9
171.05380	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	170.0811
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
50.36333	0.2
52.38443	0.2
55.52840	0.3
56.04967	0.6
56.28233	0.3
61.01078	0.3
65.03876	0.4
70.37068	0.4
79.05410	1.9
81.05724	0.6
82.06509	0.4
88.02124	0.4
95.04909	0.4
96.08056	2.0
104.49380	0.3
106.06515	1.5
123.06750	1.4
124.07553	7.5
134.05981	100.0
135.06357	0.4
136.06165	1.6
152.07043	98.0
153.07321	0.6
170.08078	13.8
184.01814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.065
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
52.43914	0.8
53.03882	1.7
55.01801	6.8
55.05448	13.6
56.96500	22.1
57.03366	1.5
59.65313	1.0
65.03864	32.6
67.05428	4.7
68.99707	12.6
69.03336	5.7
69.06989	2.0
70.06500	1.1
71.04910	2.5
72.04425	15.4
73.02824	5.2
76.56250	0.9
79.05401	5.6
81.03338	7.1
81.06925	1.2
83.04888	14.2
83.08522	6.0
84.04433	5.4
86.09621	6.7
89.07072	10.0
92.10136	1.4
93.03331	5.8
95.04899	4.6
96.02047	1.2
96.06757	1.7
97.02811	2.0
97.06441	4.0
98.97498	4.8
99.04369	2.0
107.08575	0.9
110.05962	2.4
111.04385	100.0
116.98534	1.2
117.05456	2.1
119.01769	2.4
121.02945	1.0
121.03887	7.4
121.13330	1.1
125.05923	5.1
125.07017	1.9
127.92731	1.1
128.02220	1.1
128.98537	1.1
134.99692	1.1
138.54134	4.4
139.03871	85.9
153.05405	1.7
154.08688	1.3
161.02786	1.7
164.02274	2.1
171.06473	5.0
171.07753	1.7
171.14879	10.0
172.09663	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	172.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	2.9
57.06738	3.6
57.07014	100.0
57.30135	1.3
59.99042	28.5
62.38136	1.4
63.82901	1.2
72.04420	2.4
73.04771	2.3
84.04400	2.1
88.50012	1.5
90.07394	1.5
90.90296	2.8
116.05257	15.3
126.09119	2.1
149.93962	2.3
172.09636	2.1
172.11021	1.9
172.15210	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	173.1396
Annotation	Acetylagmatine
Peak:m/z	Relative Intensity
54.82185	1.1
55.05445	1.8
60.04442	4.0
60.05572	1.3
65.47868	0.8
68.04937	0.9
69.06968	3.6
70.06499	1.9
72.04427	24.3
72.08070	31.2
73.03949	1.1
84.04430	1.3
84.08031	3.0
86.09622	24.3
87.33754	0.8
92.50070	0.8
97.07542	1.4
98.05971	1.1
110.05981	0.7
110.09619	1.8
110.63038	0.8
111.04403	0.9
113.10712	30.4
114.05489	4.1
114.09119	100.0
114.10298	5.0
115.08636	6.7
115.09420	1.5
128.10681	11.5
131.11774	1.8
132.10191	1.8
151.47377	0.7
156.11284	22.3
173.13934	28.8
174.11238	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	174.055
Annotation	1-Nitronaphthalene
Peak:m/z	Relative Intensity
52.40524	0.3
55.01808	0.7
55.05430	0.5
55.92712	0.3
56.96512	3.5
57.03379	1.5
58.06532	6.3
59.07314	3.8
60.04464	0.6
60.05577	1.5
60.08097	15.0
62.44934	0.3
67.05418	1.6
68.99716	2.8
69.03344	1.5
69.06988	3.2
70.06514	6.3
70.95782	4.0
72.93704	2.9
73.02818	0.4
73.06470	0.9
73.31149	0.4
83.04897	1.5
84.04438	0.6
85.02781	0.4
85.06432	0.5
86.05963	0.4
86.09602	0.8
87.04375	0.5
88.96801	0.8
90.94731	0.6
91.05439	0.4
92.10336	0.5
97.02821	0.8
103.05402	0.7
105.02025	0.6
110.05977	0.7
111.00749	1.8
111.04375	2.0
111.39330	0.4
111.98425	2.0
114.05463	0.8
115.33210	0.4
116.07023	0.5
128.04965	2.6
128.07069	0.7
128.10681	2.1
129.01784	0.9
129.99506	0.9
130.06500	18.5
130.09752	0.5
132.04399	0.9
132.95779	3.3
139.00232	0.9
139.03876	0.5
146.05994	22.3
150.96864	9.5
155.97408	0.8
156.06558	0.5
168.97926	0.5
173.98447	2.7
174.05476	100.0
174.07584	3.4
174.14867	19.8
175.05807	2.4
175.11925	0.4
193.92088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1487
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
57.03379	0.9
58.06531	31.6
59.04908	1.2
59.07311	22.7
60.08094	81.8
69.06989	16.3
73.06474	7.9
88.74587	0.7
91.12646	0.8
97.06487	0.9
101.64384	0.8
134.90474	1.0
174.14853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1487
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
53.03872	2.8
53.64890	1.5
55.01808	4.6
55.05446	28.6
56.04983	2.2
56.96496	44.9
57.03371	12.2
57.07012	7.2
60.04447	2.9
60.05580	4.9
62.37128	1.5
67.05414	7.4
68.04943	3.1
68.98350	1.6
69.03340	10.0
69.06982	60.8
70.06505	23.5
70.95785	8.1
72.08081	4.7
72.93701	10.2
73.02805	2.3
73.06464	3.5
74.93070	4.4
79.05404	11.3
81.06972	10.4
82.06487	2.6
83.04900	9.2
83.08549	2.5
84.04430	12.8
85.02812	4.7
85.51154	1.9
86.05979	3.7
86.09631	12.4
88.96839	3.5
90.94756	3.1
91.05389	3.2
93.06973	22.7
95.08527	16.6
96.04408	4.1
97.02824	18.3
97.06454	4.1
97.10104	10.5
97.99106	3.1
99.04347	2.4
108.95806	2.0
110.01216	9.8
110.06008	4.2
111.04393	2.8
113.01764	3.1
114.05476	4.8
115.03918	2.0
116.00166	3.2
119.01765	8.3
119.08524	4.2
121.10118	3.5
124.65575	2.4
127.03904	3.3
128.06995	1.8
128.10670	3.8
129.99376	2.3
130.06512	2.5
132.08028	3.4
132.95766	9.0
134.99586	2.0
135.76369	2.2
136.57457	2.0
139.07556	2.2
139.11165	3.4
140.98564	2.6
146.05972	4.0
146.08159	3.6
149.02351	2.3
150.96875	40.6
155.97362	2.5
156.13799	100.0
158.99594	14.6
168.97910	2.6
173.98470	9.8
174.05461	8.6
174.07584	14.4
174.09109	8.8
174.12659	3.4
174.14835	35.6
177.00659	4.0
189.00642	2.1
190.05045	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	174.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07015	34.2
58.06549	7.1
58.07351	0.8
61.20394	0.8
62.05759	1.0
62.06022	16.2
68.70908	0.7
70.06507	0.9
71.08545	19.1
80.52076	0.8
91.62407	0.8
93.16336	0.9
96.69127	0.9
97.02791	1.4
97.05830	0.8
114.46297	0.8
132.66255	1.0
156.17453	18.6
174.18500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	1.3
55.01826	1.0
55.05453	87.8
56.05776	0.6
56.96503	13.2
57.03363	3.5
60.05570	4.4
67.05412	0.9
68.99717	0.6
69.03345	1.0
69.06979	2.9
69.27444	0.6
70.06512	19.5
71.04911	0.9
72.04446	1.4
72.08073	0.8
74.93074	3.8
79.05386	1.1
80.29698	0.6
81.06964	0.7
83.04901	100.0
83.08506	0.8
83.90560	0.6
84.05212	1.1
85.02809	1.3
86.09624	13.2
87.04362	0.8
90.65179	0.6
91.05385	1.1
92.90327	0.8
93.06979	1.0
96.82576	0.6
97.02800	0.7
97.06472	0.7
97.49764	0.6
98.97511	17.9
101.05986	4.6
105.06998	0.9
115.71207	0.6
116.01273	0.6
116.07047	6.0
116.59312	0.6
116.97272	4.5
116.98560	27.5
119.04927	0.6
120.07993	0.9
129.10199	0.8
130.06488	16.1
130.09666	1.1
130.67097	0.6
132.04427	1.6
133.10112	0.9
134.99629	39.0
137.98308	0.9
148.07501	1.2
148.09697	1.0
153.00682	13.5
157.08559	1.5
158.01166	1.1
158.05988	4.2
158.08092	0.8
158.09204	1.0
175.08650	0.8
175.11832	3.5
175.98613	0.6
176.02255	1.1
176.07059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1189
Annotation	L-Arginine
Peak:m/z	Relative Intensity
50.30658	0.2
54.80959	0.2
60.05582	27.5
66.35125	0.2
66.95748	0.2
70.06512	100.0
71.04906	2.3
71.06853	0.3
72.08073	4.0
77.24341	0.2
78.78999	0.3
80.59086	0.3
84.08049	0.5
98.06000	0.4
102.61607	0.3
107.09901	0.3
112.08676	3.4
112.60970	0.2
115.08619	0.5
116.07039	19.6
130.08847	0.4
130.09732	9.1
130.98769	0.3
137.49995	0.4
157.10809	0.5
157.22707	0.2
158.09221	4.9
175.11880	18.5
186.73209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	L-Arginine
Peak:m/z	Relative Intensity
55.05451	0.4
56.96496	3.8
60.05276	0.6
60.05582	26.4
70.06512	100.0
71.04894	1.0
71.06855	0.9
71.40522	0.5
72.08075	5.6
84.04412	0.6
84.08075	2.7
87.04382	1.8
88.03919	0.7
91.00459	2.4
93.95343	0.5
97.12744	0.5
98.05979	2.9
98.34206	0.5
100.00961	2.8
110.46391	0.5
112.07566	1.2
112.08680	3.5
114.00719	2.0
116.07041	20.3
129.07376	1.0
129.10127	0.6
130.04997	0.9
130.09729	9.1
140.00494	0.6
158.09196	5.0
175.11874	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	176.0706
Annotation	3-Methyl-1H-indole-2-carboxylic acid
Peak:m/z	Relative Intensity
56.96508	3.0
64.05756	0.2
65.40531	0.2
75.69459	0.2
76.87321	0.3
85.39340	0.2
92.10265	0.4
98.97520	15.1
99.42330	0.2
103.05399	5.8
114.46519	0.2
116.97225	0.8
116.98573	16.6
118.06457	0.3
120.08059	0.9
125.43375	0.2
128.04944	0.2
130.06497	100.0
131.06825	3.9
132.04384	1.0
133.04756	0.8
134.99626	11.6
144.80664	0.2
148.07593	0.3
152.96869	0.3
153.00693	3.0
158.01227	0.4
158.06027	0.9
158.08023	0.5
159.06314	0.4
171.68214	0.2
176.07089	2.5
194.43120	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.63639	0.7
52.91856	0.7
54.81517	0.8
59.84257	0.8
63.02280	0.9
66.83875	0.8
78.04626	4.9
79.05389	1.6
89.03842	75.1
91.05392	4.7
95.04910	1.2
103.05415	1.7
105.07034	1.0
106.04092	3.5
114.25880	1.0
117.03333	100.0
121.06427	0.9
124.05212	1.9
134.03616	12.9
135.04395	9.2
145.02827	85.5
149.05960	29.1
177.05420	24.7
192.37811	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
59.19890	1.6
62.71959	1.8
63.25932	1.6
78.04619	4.7
79.05376	3.0
85.21405	1.8
89.03307	3.1
89.03841	76.5
89.55302	2.0
90.16385	1.7
91.05396	3.4
95.04887	2.8
106.04122	2.8
117.03329	100.0
134.03574	10.5
135.04387	4.4
145.02827	92.8
149.05975	28.0
177.05391	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.54832	0.6
53.26527	0.6
58.44817	0.6
63.02286	1.3
70.04229	0.6
78.04616	4.0
80.48712	0.6
89.03843	65.6
90.04140	0.6
91.05392	4.0
98.97520	0.8
103.05391	1.1
105.03297	0.7
106.04124	4.6
114.35574	0.7
117.03332	100.0
124.05188	1.5
132.50671	0.6
134.03601	12.0
135.04398	6.1
145.02829	81.6
146.03137	1.2
149.05957	24.0
162.03043	0.9
163.03911	1.0
177.05431	19.8
184.48219	0.8
186.05482	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.47067	0.7
53.00235	0.6
53.03884	1.1
55.01820	0.7
56.96505	6.6
63.02301	1.1
67.05460	0.9
72.97508	0.8
73.17487	0.7
78.04626	4.1
79.05415	1.2
81.03333	0.8
81.06981	1.6
89.03844	67.5
89.80043	0.9
91.05409	7.0
93.06978	10.0
95.04917	4.0
95.08593	0.8
98.97519	12.0
103.05416	1.9
105.06979	0.9
106.04128	4.2
107.08540	1.8
116.98572	16.3
117.03334	100.0
121.06466	1.4
121.10099	1.3
124.05229	1.4
134.03622	13.5
134.99641	16.7
135.04388	8.0
135.11629	1.1
145.02834	89.5
146.03217	1.5
149.05966	31.3
151.08557	0.6
153.00693	3.4
153.97055	0.8
154.25195	0.7
159.04475	0.7
163.03903	0.8
166.07756	0.8
177.03918	1.1
177.05432	28.6
177.06895	1.4
177.12677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00266	0.5
56.96506	2.6
57.03379	4.7
57.07014	100.0
57.87760	0.4
61.02849	0.6
62.48540	0.4
67.05424	0.5
81.06976	2.2
85.06468	23.8
89.05928	0.6
98.97508	6.6
103.07510	4.6
116.98569	8.1
117.03368	2.1
134.99629	6.6
145.02892	1.8
153.00729	2.3
158.67645	0.4
159.10149	5.2
177.05569	0.4
177.09052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.93882	0.9
52.83217	1.1
55.05445	1.3
57.26444	0.9
58.64942	1.0
63.18119	0.9
70.69749	1.0
79.05402	2.7
86.05891	1.1
88.02114	2.6
91.05406	26.9
91.18584	1.1
92.10254	3.9
93.06960	2.7
95.56249	1.1
101.88228	1.1
103.05403	1.3
104.06142	1.2
105.06984	18.6
107.08517	6.0
109.10078	2.5
109.44128	1.4
117.06963	6.2
119.08533	58.4
121.10082	2.2
122.07219	6.4
129.06937	1.7
131.08545	6.5
133.06442	1.9
133.10098	24.7
134.10855	8.0
135.08026	22.1
136.06139	1.5
136.08800	2.7
137.09595	56.3
137.37105	1.2
144.09311	5.0
147.08067	2.1
149.09554	7.5
149.13254	14.9
161.09563	19.7
168.70116	1.2
175.00508	1.1
177.12709	100.0
178.15875	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	179.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52005	0.4
54.59041	0.5
57.54448	0.4
80.74879	0.4
84.59666	0.4
101.00810	9.8
112.70438	0.5
119.01874	100.0
120.02016	0.6
133.03450	2.8
137.02927	54.2
142.03485	0.7
151.04474	1.1
161.02910	7.9
179.03979	24.6
180.04089	0.5
180.80746	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0811
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
53.91971	0.5
65.03841	1.1
67.95630	0.6
91.05403	62.6
93.17320	0.8
95.04898	24.8
103.05422	0.9
107.04900	2.9
109.06451	1.3
118.06493	1.8
119.04893	56.1
121.06448	1.5
123.04382	63.6
136.07549	100.0
139.23888	0.8
147.04375	15.0
151.14914	0.7
165.05418	23.1
182.08167	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	182.0812
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
53.03880	0.4
54.59530	0.5
56.04978	4.7
57.03339	0.6
61.15267	0.5
62.71160	0.5
66.41406	0.5
69.03356	0.6
70.11965	0.5
75.67263	0.5
80.15047	0.5
83.63814	0.6
85.76096	0.5
91.05406	61.6
93.06966	1.0
95.04893	21.2
96.04386	0.9
98.97508	0.5
103.05411	2.3
107.04912	2.1
109.06470	1.3
116.43826	0.5
118.06496	2.2
119.04895	57.4
121.06441	1.1
123.04382	64.8
136.07555	100.0
147.04384	14.8
164.05627	0.7
164.39781	0.6
165.05449	21.0
175.93082	0.6
182.05759	0.6
182.08139	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	182.1538
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
52.75422	2.8
53.92879	2.9
54.18773	3.5
55.05436	7.6
58.02659	3.4
58.02893	56.8
67.05426	36.5
69.06982	97.5
81.06983	29.4
83.08547	7.6
91.05424	5.6
93.06960	15.1
95.08553	6.9
98.97523	25.1
99.97827	6.8
100.07530	5.6
105.06939	20.3
107.08529	23.7
109.10107	60.5
114.09101	16.1
116.98549	17.1
117.98897	8.0
123.11617	5.9
126.09096	21.6
126.99075	3.7
133.10109	31.1
134.99577	15.2
135.11664	29.9
138.12762	35.1
140.14304	4.1
151.11182	13.2
153.12721	7.6
182.15369	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0605
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
53.03895	0.4
54.20993	0.3
55.05449	0.5
56.96496	3.4
57.24959	0.3
60.08092	1.5
65.03869	2.8
65.92563	0.4
69.03344	0.8
70.06515	1.6
71.04897	0.6
71.07279	1.0
71.46354	0.3
72.02550	0.4
72.08067	0.8
76.32827	0.4
79.01733	0.4
80.94888	0.4
82.06497	1.7
82.99723	0.4
85.02824	0.5
86.03492	0.5
86.09135	0.8
86.09626	13.3
92.04925	2.5
98.98398	3.3
101.00834	3.1
104.04955	0.4
104.10662	2.0
105.12611	0.4
110.06007	2.8
110.07124	0.7
116.98598	0.5
119.01875	51.2
120.01947	1.7
120.04388	1.6
120.97868	0.5
124.03911	0.5
124.07557	0.4
124.99970	8.4
126.05530	0.5
137.02933	33.1
138.05478	8.5
138.09090	0.5
138.98996	0.4
142.03484	6.8
143.03609	1.6
148.03912	100.0
149.04260	0.7
156.07654	0.6
160.04526	4.5
161.02884	2.4
161.04692	0.4
162.79576	0.4
166.04965	88.5
167.05330	0.4
179.03960	5.6
184.04471	0.9
184.05992	11.1
184.07338	8.5
184.09680	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	184.0725
Annotation	Phosphocholine
Peak:m/z	Relative Intensity
54.81635	15.7
86.09615	100.0
98.98427	22.2
124.99973	71.3
157.62743	18.7
184.07410	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	184.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66101	8.9
53.78644	10.6
58.91175	10.7
60.35611	10.1
79.60751	10.9
86.09621	100.0
87.12853	11.7
102.96817	13.8
103.73595	11.1
115.20142	11.2
120.97881	14.2
121.26501	13.3
124.99959	73.2
134.14073	12.7
184.07269	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	Phosphocholine
Peak:m/z	Relative Intensity
53.87017	0.6
55.05451	0.6
56.04971	1.4
56.96503	5.1
57.03371	1.6
57.26192	0.7
58.06524	1.8
60.08094	20.8
70.06519	1.2
70.69232	0.8
71.07284	14.5
73.02823	0.9
78.75101	0.7
85.02861	1.5
86.09624	100.0
92.01236	1.9
96.08099	0.8
98.97507	1.7
98.98398	23.3
101.00761	0.8
104.10673	45.8
107.74115	0.7
109.82248	0.8
110.05999	3.0
111.04438	0.8
116.98611	1.1
119.01871	19.3
119.02661	0.9
124.03886	0.9
124.99955	89.5
125.72735	0.8
130.69286	0.9
135.03146	0.9
137.02930	12.2
138.03101	1.0
138.09193	0.9
142.03543	3.5
145.05396	1.0
151.97595	0.8
161.02934	1.1
179.04005	1.7
184.07365	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0808
Annotation	UNII-Z02B4Y02FV
Peak:m/z	Relative Intensity
53.03879	0.8
55.01807	2.3
55.05446	1.1
56.96497	4.2
57.03368	1.2
57.06182	0.5
59.04934	0.6
60.95779	4.6
65.03860	2.4
67.05425	3.9
68.99710	1.2
69.03347	2.4
69.06982	1.4
71.04903	2.2
75.04369	2.0
79.01761	3.3
79.05402	3.8
81.03330	0.9
81.06968	3.6
82.04123	3.0
83.04885	4.8
85.02825	2.4
85.06461	2.7
91.05428	1.1
93.03333	1.0
93.06971	4.3
94.04097	0.9
95.01253	11.9
95.04902	4.7
95.08546	1.3
97.00742	0.6
97.02821	0.5
97.06474	2.9
99.04379	3.0
102.96806	9.0
103.05383	0.6
107.01273	1.0
107.06020	0.9
107.08533	1.3
109.02847	1.3
109.06471	3.1
109.52192	0.5
110.03614	41.3
111.04405	14.5
111.05540	0.6
111.08023	2.2
112.08730	0.6
114.05598	0.6
114.36623	0.6
116.98516	0.6
118.93102	0.7
119.01849	3.3
119.04871	0.9
120.01973	7.3
120.97845	14.8
121.00771	1.1
121.01602	3.7
121.06458	2.1
121.07635	1.9
123.04399	2.8
123.07951	0.9
124.05127	1.0
125.05952	100.0
125.09592	2.2
126.05481	1.2
127.03849	11.8
127.07512	0.7
128.02246	0.8
131.08516	0.6
137.02885	0.9
138.03030	6.2
138.98921	21.3
139.01776	9.9
139.02792	1.6
139.03874	28.5
139.04921	1.2
139.07556	2.2
140.04657	0.8
140.07005	0.8
143.03609	1.2
143.99467	0.6
144.03252	2.3
149.07158	0.8
153.05446	85.1
154.06230	43.4
154.07532	0.8
155.03391	6.0
156.04164	1.0
156.99974	8.5
162.00600	0.6
162.04411	0.7
163.01773	5.0
167.06975	1.3
167.10580	2.0
170.05684	10.3
179.72676	0.6
181.02827	11.5
185.08076	29.7
193.36635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0807
Annotation	UNII-Z02B4Y02FV
Peak:m/z	Relative Intensity
51.99366	0.7
53.03876	0.8
55.01794	1.2
55.05448	6.5
56.54873	0.8
56.96246	1.1
56.96501	22.7
57.03360	3.9
60.95776	7.6
65.03855	5.5
67.05430	7.6
68.99694	1.9
69.03384	0.8
69.06985	15.1
70.06482	1.1
70.07297	1.3
71.04894	5.1
72.08058	1.8
74.89999	0.8
75.94424	0.9
77.92772	0.9
79.01749	1.5
79.05388	5.8
81.03327	1.0
81.06966	6.3
82.04102	1.5
83.04896	5.8
83.08546	1.5
83.20457	0.7
84.95912	1.1
85.02406	1.0
85.02834	15.0
86.09624	6.9
91.05402	4.1
93.03328	1.2
93.06963	9.3
95.01252	7.5
95.04909	6.2
95.08537	7.5
97.00734	0.9
97.02853	1.1
97.06438	4.1
101.05273	0.9
101.05953	1.2
102.96822	19.1
105.06986	1.5
107.01238	1.0
107.08515	5.0
109.06470	1.4
109.10091	3.6
110.03607	37.4
111.04394	15.9
111.08009	4.2
112.54341	4.3
112.99050	0.9
114.05528	1.1
116.98556	1.0
119.01879	1.7
120.01974	9.6
120.97855	29.9
121.00743	2.1
121.01610	3.8
121.06419	2.2
121.07619	1.1
121.10065	5.7
123.04403	1.1
124.91836	0.8
125.05949	100.0
127.03905	9.7
129.98091	1.7
137.02896	1.1
138.03017	8.2
138.98920	40.8
139.01791	13.0
139.02724	3.2
139.03850	20.5
139.07536	3.7
143.03584	2.0
144.03253	2.0
147.54622	1.3
147.72366	1.0
147.99117	5.3
149.07101	1.3
149.13239	1.8
153.05443	76.3
153.66266	1.0
154.06210	30.7
155.03319	4.8
156.99979	11.9
162.00554	1.4
162.04349	1.3
162.99135	1.6
163.01759	5.7
166.00195	1.8
167.07011	3.7
167.10622	1.1
170.05775	6.3
174.00789	1.0
181.02797	12.9
185.08041	18.4
190.00235	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	185.1536
Annotation	Speciosin J
Peak:m/z	Relative Intensity
54.87975	1.7
55.01805	4.5
55.05452	24.8
55.12397	1.6
56.96504	40.5
57.03362	3.6
57.07008	3.2
60.95781	15.5
62.37261	1.5
67.05075	3.7
67.05430	91.5
69.03343	2.3
69.06991	28.6
71.04920	15.3
79.05401	18.7
81.03334	2.3
81.06979	31.8
83.04885	5.0
83.08537	8.3
84.04409	3.4
85.02821	4.7
85.06464	15.7
85.81913	1.8
91.05369	7.9
93.06977	52.1
95.04888	7.9
95.05997	1.9
95.08521	12.6
97.06438	4.7
97.10118	2.5
102.96800	41.6
104.03019	13.0
105.07005	3.0
107.06023	2.2
107.08543	35.7
109.06455	3.7
109.10111	44.1
111.03748	3.1
111.04430	3.6
111.08004	3.6
113.03550	2.4
114.05434	2.3
116.06354	1.8
116.98479	2.5
119.01848	3.3
120.01963	12.5
120.04347	4.3
120.97861	68.9
121.00776	2.8
121.01602	9.5
121.06455	2.5
121.07587	3.6
121.10114	19.3
123.05537	2.5
125.05938	11.9
126.05436	3.6
127.03884	2.7
134.99635	2.2
135.47993	2.2
138.03021	10.0
138.98921	100.0
139.01773	23.9
139.02664	4.5
139.07539	3.5
144.03217	3.3
144.07970	9.6
149.07108	3.7
149.09628	3.8
149.13255	36.2
153.05461	4.0
153.08574	8.2
153.58710	2.0
156.99989	31.5
162.00595	3.8
162.09012	2.3
163.01735	4.1
167.06975	2.4
167.14218	2.2
175.00905	1.9
181.02802	19.3
185.15312	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	185.1537
Annotation	Chokol G
Peak:m/z	Relative Intensity
51.99785	1.5
55.01805	7.0
55.05457	19.5
56.96506	15.5
57.03375	18.0
57.07006	3.5
59.04922	3.4
60.95782	15.8
66.27892	1.4
67.05077	3.4
67.05427	100.0
69.03342	2.1
69.06979	16.5
71.04906	18.2
73.84657	1.5
79.05413	14.1
81.06970	30.7
83.04891	6.7
83.08528	8.9
84.04416	2.2
85.02817	8.9
85.06477	13.6
87.04398	1.7
91.05395	3.2
93.06968	34.7
95.04904	3.6
95.08527	20.5
97.00743	2.8
97.02230	2.5
97.06454	3.3
97.10088	2.2
98.05959	2.7
99.04379	2.0
100.02413	3.2
102.96813	39.1
105.06973	2.0
106.02830	2.1
107.06038	3.0
107.08529	29.2
109.06410	1.9
109.10105	52.4
111.08026	6.5
114.05474	7.2
118.03485	2.5
120.01974	6.3
120.97856	62.7
121.00767	3.3
121.01630	8.2
121.07587	6.4
121.10094	13.8
122.17616	1.6
125.05949	7.9
126.05452	3.5
127.03880	1.7
137.02939	2.6
138.03062	6.5
138.98917	91.4
139.01778	16.8
139.02686	5.4
139.07465	2.4
140.07018	3.5
144.03242	2.7
145.98682	1.7
149.05930	1.7
149.07040	3.6
149.13232	35.3
152.57251	2.7
156.99969	31.9
162.00444	3.7
163.01740	3.5
167.06908	2.3
167.08165	1.7
167.14247	7.2
181.02841	18.2
185.15271	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	186.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	2.2
56.96522	1.8
57.06738	3.5
57.07013	100.0
62.33812	2.0
66.05641	1.6
67.32070	1.9
71.08551	39.6
76.11203	2.3
81.21327	1.9
84.04434	3.4
85.02824	5.5
85.10104	15.1
86.26602	2.2
87.25998	1.8
88.27785	2.3
91.99692	2.1
102.96764	2.6
114.05470	10.6
126.05441	10.3
137.98358	3.8
143.56477	2.3
145.04933	2.3
156.70076	2.0
171.49944	2.2
178.55963	2.4
186.07657	3.5
186.22130	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	1.0
53.37336	0.9
55.05233	0.8
55.05452	11.2
56.25464	0.9
56.96510	7.1
57.03374	2.0
57.06997	5.8
58.14626	1.0
65.03862	0.9
67.05431	48.0
69.03355	1.6
69.06992	12.5
69.62870	1.0
71.04902	4.1
71.08537	1.6
74.67204	0.9
79.05403	4.5
81.03330	2.1
81.06503	2.2
81.06973	50.5
83.04919	1.1
83.08525	5.8
85.02824	2.0
85.06462	32.6
88.02173	7.2
91.05418	1.6
93.06969	1.6
95.04881	1.0
95.08535	100.0
95.40121	0.9
96.91538	1.0
97.02812	1.2
99.04358	1.5
99.08035	7.2
104.90771	1.2
109.10109	37.0
113.09581	1.7
114.01686	0.9
118.06488	1.5
123.08005	3.6
127.03853	1.9
137.98329	2.3
139.01711	1.6
150.51134	1.0
151.14815	6.7
169.15822	5.6
181.98561	1.0
187.08626	1.3
187.12498	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	188.0554
Annotation	(2S,4S)-4-Hydroxy-2,3,4,5-tetrahydrodipicolinate
Peak:m/z	Relative Intensity
53.03887	0.4
54.03408	1.8
55.01802	0.7
55.05455	2.9
56.04975	29.5
56.96506	4.5
57.03377	0.5
57.48449	0.3
58.06535	0.6
58.30133	0.3
60.04453	5.8
60.05584	0.5
60.08082	0.3
66.03391	6.0
67.05414	1.6
68.04950	1.7
68.99710	1.8
69.03344	0.6
69.06985	1.7
70.06502	7.2
71.04904	0.7
71.06850	0.4
71.07279	0.8
72.04428	0.9
72.08067	3.9
73.02841	0.4
74.02346	0.5
74.05947	0.3
76.54057	0.4
79.05414	0.3
79.27103	0.3
79.29736	0.3
81.03336	0.9
81.06960	1.6
81.90886	0.3
82.02847	0.5
82.06500	4.9
83.04909	0.9
84.04430	7.6
84.08076	6.2
84.97794	0.3
85.02820	1.8
85.86152	0.3
86.06007	2.7
86.06437	0.4
86.09636	7.0
87.00753	8.8
87.04369	0.6
88.03885	0.9
96.04419	0.9
96.08063	3.3
98.01239	0.8
98.06001	0.8
98.97497	0.7
100.03916	4.3
100.07542	0.5
102.05478	10.5
107.08551	0.6
111.04419	0.4
112.08661	0.8
114.05482	77.0
114.12778	0.4
115.08606	0.6
116.07056	0.9
116.98561	0.4
119.00178	0.4
119.01779	0.6
121.43237	0.4
122.09604	0.7
124.03893	2.6
124.07545	2.4
124.11196	7.0
125.05874	0.5
128.07051	5.2
128.52184	0.4
129.01839	0.4
130.08559	0.5
132.08072	0.3
134.99628	0.4
140.10648	0.4
142.04977	100.0
142.08603	2.5
142.12248	18.4
152.03413	2.1
159.16920	0.4
160.09708	0.6
165.00624	0.5
170.04454	17.9
170.08089	3.6
170.11717	0.6
188.09300	3.1
188.10590	0.4
188.11147	0.4
188.12793	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	188.0704
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
53.91331	0.8
61.76605	0.8
64.34010	1.0
67.53327	0.9
70.26884	0.9
73.08158	0.9
91.05413	9.2
115.05382	9.6
117.05763	1.2
117.06956	4.4
118.06481	100.0
120.55777	0.9
142.06506	8.3
143.07262	18.7
144.08061	22.7
145.06523	1.8
146.05978	79.6
170.05991	9.0
188.07001	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	188.1281
Annotation	8-Amino-7-oxononanoate
Peak:m/z	Relative Intensity
53.00251	0.9
55.01803	1.5
55.05440	1.3
56.04979	1.3
56.96495	5.6
57.03376	0.8
59.72858	0.8
60.04445	1.2
63.63842	0.7
67.05452	0.9
69.03352	1.3
71.08540	24.0
72.04430	14.3
81.06995	0.9
82.02830	1.2
82.06483	1.2
84.04429	1.5
87.04385	1.7
88.11188	8.1
96.04341	0.8
96.08837	1.4
98.06013	1.1
100.03906	58.8
100.07537	1.6
101.02291	4.7
114.05521	1.8
118.06490	1.2
118.41714	0.9
125.56574	0.8
128.06978	2.0
142.08586	0.9
142.12241	9.3
142.98618	1.3
146.06000	2.0
146.08153	1.0
160.09743	1.4
170.11720	100.0
179.20311	0.9
188.09120	4.6
188.12782	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	188.128
Annotation	Hyacinthacine A4
Peak:m/z	Relative Intensity
53.99977	1.3
54.82347	1.4
55.01815	1.8
55.05439	2.9
56.96500	10.4
57.03358	2.0
61.01068	1.4
65.03862	1.2
67.05411	1.8
69.06985	1.8
71.08543	23.7
72.04426	25.2
77.72392	1.2
81.03362	2.2
81.06979	2.0
82.02840	2.0
83.08533	1.7
84.04413	5.3
84.08017	1.4
86.05972	2.0
86.09609	8.1
87.04378	1.8
88.11190	5.7
92.65131	1.8
96.08829	2.0
100.03904	100.0
100.07510	3.1
101.02296	1.9
104.90768	1.5
110.05968	2.8
114.38428	1.5
118.06454	2.3
119.00009	1.3
128.07036	7.7
136.26138	1.5
142.08630	2.7
142.12230	2.2
142.98651	2.4
146.06047	2.2
149.02341	1.6
160.09666	2.2
170.08046	1.8
170.11717	67.8
173.68225	1.4
188.09132	3.3
188.12662	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	188.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03862	0.4
55.05458	0.6
55.67398	0.4
56.96508	7.3
57.03374	0.5
57.07013	13.4
61.02868	0.4
69.03358	0.8
69.06974	0.6
73.02831	0.7
76.51321	0.4
81.03349	0.7
84.08052	0.6
85.02836	1.0
85.06470	10.7
85.06942	0.9
87.04385	4.0
92.10822	0.7
97.02834	1.2
98.97527	1.2
110.97591	0.8
113.92362	0.6
116.98596	0.7
118.06446	0.7
119.01705	0.7
128.98584	0.7
129.09079	100.0
130.09381	0.9
142.98663	0.6
146.05984	0.7
146.99606	0.6
161.04738	1.1
179.05913	0.6
188.09245	0.7
188.16428	10.0
197.10693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	0.1
54.81376	0.2
55.05444	0.8
56.96507	1.7
57.06994	0.2
64.95472	0.1
67.05437	0.2
69.03331	0.1
69.06982	0.3
77.76266	0.1
78.89693	0.1
78.94901	0.1
79.05402	0.1
81.03300	0.2
83.04899	0.3
83.08561	0.2
84.04423	0.6
84.08066	1.9
85.02817	0.2
86.09648	0.2
89.55957	0.1
91.05429	0.2
95.04902	0.3
97.02805	0.2
97.10058	0.2
98.97443	0.1
102.10998	0.1
103.05407	0.6
105.06982	0.2
106.96489	0.2
115.05424	0.2
116.98563	0.2
117.06956	1.2
118.06461	1.2
120.08050	0.2
124.97569	0.3
125.09575	0.2
126.09120	0.8
128.04921	0.6
129.09074	1.1
130.04974	0.7
130.06371	0.2
130.09413	0.8
132.08023	0.2
134.05991	0.2
134.73143	0.2
135.62775	0.1
142.90894	0.2
142.98624	0.6
143.07291	1.9
144.08064	100.0
145.06499	0.5
145.08397	0.8
146.05997	0.3
155.05991	0.3
160.07535	1.0
170.97578	0.2
172.07544	8.7
172.09029	0.3
190.08604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1119
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
53.03876	1.1
55.01813	8.4
55.05450	100.0
57.03367	0.9
57.07010	0.9
59.04931	0.9
67.05431	10.9
69.03349	7.0
69.06984	11.9
71.27705	0.5
79.05401	15.0
81.06971	15.9
83.04890	4.8
83.08537	49.6
84.08082	2.8
84.77708	0.5
85.06466	0.7
91.05408	2.2
92.69380	0.6
93.06985	3.5
97.10099	73.4
101.05971	0.8
101.09606	1.9
105.07012	0.8
107.08528	20.3
107.09184	1.0
109.06479	1.0
111.08044	0.9
115.05482	0.5
117.06955	0.8
117.67065	0.5
124.97628	0.5
125.09587	45.3
126.09162	0.7
135.08031	3.6
143.10667	2.1
153.09044	1.8
171.10249	1.0
189.11192	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	2.4
55.05454	3.0
56.72202	2.4
56.96501	5.8
64.93673	2.7
69.03332	4.6
69.07005	4.6
71.85240	2.5
83.08530	3.4
84.08079	4.5
91.05419	13.4
91.17591	2.6
95.04934	2.9
105.06986	23.4
107.08602	3.7
112.04223	2.9
117.06955	5.8
119.08540	35.4
126.09090	3.3
128.06166	5.4
129.06934	11.0
130.07751	6.8
131.08543	14.4
133.06505	3.1
133.10130	4.4
141.06943	28.0
143.08578	5.7
144.09254	3.4
145.10103	37.4
147.07985	5.7
147.11670	32.5
156.09326	99.7
159.08029	13.1
159.11636	20.4
164.75244	3.0
171.11649	77.3
174.10416	11.8
189.10249	3.6
189.12703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04963	1.1
57.04501	0.7
59.94555	0.5
60.08096	15.9
62.55944	0.5
62.75883	0.5
67.05431	2.5
70.06508	12.1
74.07111	2.5
76.56038	0.7
84.08067	100.0
116.07043	3.2
128.61975	0.6
130.08606	23.5
144.11292	1.2
144.13821	1.4
172.10789	0.6
189.13383	2.8
189.15936	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	190.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36545	0.9
56.96507	2.1
60.04442	1.7
61.46156	1.1
84.04437	1.0
84.08103	2.0
92.64110	1.4
93.04450	1.2
98.97501	1.9
100.02412	6.3
101.55787	1.1
103.02432	1.7
103.99290	1.2
104.49255	1.2
110.07108	9.6
116.98582	4.7
118.03463	5.8
119.01823	8.1
120.01962	2.2
121.03442	1.4
131.01875	7.1
133.03459	1.2
134.99617	2.5
137.02950	5.3
141.96935	1.6
142.98553	1.4
143.01907	1.2
144.05040	2.4
145.03444	1.5
145.48819	2.6
146.21370	1.3
148.05150	1.1
149.01097	1.2
149.02927	5.6
150.97420	1.8
154.03462	5.7
154.49420	1.8
156.82368	1.0
157.03448	5.2
161.02910	1.4
162.03000	1.3
163.04492	1.5
167.01959	2.4
172.04514	4.8
185.02917	100.0
186.03165	1.7
190.08627	1.1
203.03989	24.7
208.04539	5.7
208.96547	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1073
Annotation	(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate
Peak:m/z	Relative Intensity
54.81632	0.7
55.05453	2.6
56.04969	6.2
56.96501	3.9
58.06531	0.9
60.04460	4.9
60.08093	0.6
65.94585	0.6
67.66206	0.6
69.03347	3.3
69.06991	5.7
70.06505	8.7
71.06849	3.0
71.32563	0.5
72.08072	5.2
73.02807	0.8
73.06482	0.6
76.02113	0.7
76.03913	3.3
76.56091	0.6
79.22113	0.6
83.04891	0.7
84.04437	6.8
84.08096	4.5
85.06448	0.7
85.08413	0.8
86.05994	12.1
86.09636	2.5
88.02143	9.2
88.03918	35.4
88.09865	0.6
98.01212	1.1
98.09625	29.7
98.97505	1.4
100.03906	0.8
102.05488	5.2
103.05385	0.7
112.07581	0.7
112.11257	0.6
116.10683	1.0
116.98565	1.4
119.01823	0.6
120.08054	2.7
126.05451	0.9
126.09116	1.2
126.12733	1.4
130.04965	6.2
134.58649	0.6
140.11456	0.6
144.10179	100.0
144.13835	2.6
145.03972	2.4
146.05875	0.9
154.04956	5.5
154.08658	0.7
162.05489	1.2
172.09691	1.4
190.04950	7.2
190.10686	2.9
190.12267	0.6
190.14401	0.9
191.04681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65607	0.6
55.01799	1.5
55.05442	2.8
56.04960	3.1
56.96493	4.4
58.06533	47.2
59.04927	1.4
67.05412	1.2
69.03352	9.8
69.06987	31.4
70.06501	8.4
71.04894	0.7
72.08072	1.5
73.02837	1.1
73.84073	0.6
83.97652	0.7
84.04411	2.9
84.08063	8.7
85.02838	0.9
85.06457	1.4
86.05992	3.4
86.09620	19.3
87.09951	10.5
88.02144	1.1
88.03914	0.7
91.00427	0.7
98.97507	1.0
101.02310	1.7
102.05502	0.8
102.09122	1.3
107.89209	0.8
109.10058	0.8
111.53614	0.7
113.63134	0.7
114.43974	0.6
116.04981	0.8
116.98557	0.7
126.05469	1.5
126.12743	33.8
130.04906	1.1
130.08742	0.9
144.10124	1.2
144.13808	100.0
145.14224	0.7
146.06006	0.8
156.00920	0.7
162.05418	15.9
172.09703	1.0
172.13301	3.0
176.03767	0.8
190.04968	3.3
190.07104	1.0
190.14333	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	190.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68835	0.9
55.01807	1.1
55.05450	7.2
56.01335	0.9
56.04971	1.6
56.96503	4.6
58.06527	15.7
58.44055	0.9
59.04932	1.7
64.11592	0.9
67.05411	5.0
69.03334	4.4
69.06990	10.5
70.06509	64.3
72.04430	1.6
72.08087	9.6
72.93720	1.0
73.02827	3.8
73.06461	1.0
79.05400	7.6
81.06955	1.3
84.04430	4.8
84.08071	11.8
85.06451	1.9
86.05995	7.5
86.09620	20.5
87.04398	1.1
87.09445	1.4
87.09949	10.1
90.09122	1.2
91.05404	1.2
93.06948	1.1
95.04933	1.0
98.97504	1.7
100.03922	9.2
101.02322	4.1
103.05391	18.2
107.04893	9.4
116.07020	8.7
120.08049	16.6
126.05476	1.3
126.12750	42.7
130.05022	1.3
131.00188	1.4
131.04924	6.1
144.06541	2.5
144.08054	4.3
144.10162	1.2
144.12033	3.8
144.13811	100.0
149.01141	1.9
154.08595	4.0
159.29800	1.0
162.05476	5.2
172.09593	7.5
172.13278	4.4
190.08711	1.4
190.14349	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	190.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44304	1.7
55.01799	2.9
55.05438	8.8
56.04960	15.1
56.96242	2.4
56.96502	60.9
57.03371	2.1
57.07009	3.4
58.99521	27.4
67.05430	27.2
69.03324	3.0
69.06989	72.6
70.06483	14.3
70.06841	2.3
71.04895	10.0
72.93687	12.8
74.00570	2.5
74.97507	3.2
78.85189	2.1
79.05392	3.1
81.03341	3.0
81.06962	5.1
84.04401	3.9
84.08037	2.7
85.06445	9.1
86.09609	13.3
86.98956	4.4
88.03915	26.6
90.90233	2.0
90.94749	4.7
91.05393	11.7
93.06964	9.1
95.07968	3.1
95.08539	75.5
101.04192	28.3
109.06454	10.5
109.10082	4.0
112.11189	84.9
112.54405	3.7
113.09576	5.3
116.00156	5.6
116.98598	4.3
120.08035	3.4
121.02759	2.3
124.56674	2.3
126.12743	12.9
127.07491	8.8
129.60437	2.3
130.06493	75.9
130.12247	100.0
132.54085	5.2
134.01201	5.2
134.99643	4.8
137.09633	5.5
144.08170	5.1
144.10205	3.1
146.06110	2.4
146.72240	2.2
149.01170	8.9
149.02339	5.1
152.02301	3.5
154.12186	3.7
155.06917	2.0
155.54401	11.0
158.05986	30.8
159.99026	3.3
162.05476	5.4
167.02176	2.9
167.97096	11.8
172.13281	30.1
173.06322	9.5
173.07907	3.0
178.00148	9.8
190.08594	28.0
190.14322	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	191.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54124	0.3
58.99514	3.8
60.04452	0.6
61.01089	2.6
62.75596	0.3
75.57172	0.3
76.02145	9.4
76.03919	5.9
77.07324	0.3
84.08049	0.4
86.98979	0.5
88.02140	100.0
88.03919	1.7
116.01591	0.4
123.81009	0.3
144.10133	0.4
145.04263	0.5
146.02667	0.4
174.02155	2.4
191.04820	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	191.0701
Annotation	Oospolactone
Peak:m/z	Relative Intensity
51.65116	1.1
53.03867	2.1
54.36219	1.0
56.96499	2.3
57.39088	1.2
58.07124	1.3
63.01487	1.2
65.04505	1.1
65.07060	1.1
65.16405	1.5
71.09644	1.1
72.93679	2.4
73.69848	1.5
79.05407	13.7
90.04613	2.3
91.05406	21.1
92.06166	7.8
95.04884	3.5
103.05413	16.8
105.03339	12.7
105.06964	11.3
107.08531	2.7
118.04108	11.9
118.89555	1.4
119.04900	27.2
120.05683	15.9
121.06468	1.6
124.44866	1.5
130.04185	2.1
132.05682	37.6
133.02821	26.8
133.06432	12.4
133.10094	6.8
135.08015	2.3
147.04413	11.9
147.43855	1.4
148.05176	55.5
160.05174	12.0
163.07512	94.1
169.74586	1.7
176.04607	7.5
191.06990	100.0
193.66774	1.4
207.77805	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	191.1065
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
52.00038	3.4
52.21014	3.5
67.95528	3.5
88.77283	3.8
91.80341	4.5
104.83076	4.7
105.06959	6.1
121.06443	18.2
121.10030	5.1
135.08012	100.0
143.95847	4.5
145.10124	8.8
155.08575	4.4
158.07219	5.9
161.05940	7.1
163.11110	19.8
173.09543	17.4
176.08293	28.7
191.10632	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	2.2
54.81481	1.2
54.81778	1.0
55.01805	1.3
55.05451	12.5
56.96502	28.0
57.03378	2.1
57.07013	1.3
59.60607	1.2
67.05415	4.6
69.03349	14.9
69.06992	13.1
71.04909	1.4
72.93700	6.7
73.02834	2.5
73.21889	1.3
74.97554	2.0
79.05412	12.1
81.06980	5.3
82.48321	1.3
83.06075	1.2
84.95934	1.4
85.02844	1.7
86.09625	5.8
90.94775	9.6
91.05404	31.8
93.06979	12.1
95.04916	5.4
95.08552	5.9
97.02827	1.7
98.97507	1.9
100.11176	5.8
103.05410	3.0
105.06976	68.9
105.28155	1.4
107.04938	1.9
107.08530	19.9
108.95824	5.2
109.06459	6.0
109.10119	2.5
110.07109	14.3
111.08040	2.0
115.05433	2.1
116.98552	5.4
117.06957	13.9
118.06468	1.7
119.08536	100.0
121.06433	2.4
121.10098	8.4
123.07988	2.1
128.06160	1.3
129.06978	1.4
131.08519	15.1
132.09335	5.4
133.10086	6.3
134.99637	2.8
135.08018	8.3
140.07005	2.7
143.08546	2.2
145.06548	2.2
145.10052	10.6
146.06023	7.3
146.99582	1.5
147.11659	26.9
149.01196	7.5
149.09604	11.6
149.13228	2.0
149.96077	2.3
150.96849	7.7
158.10889	1.8
160.49727	1.4
161.01146	1.5
161.09615	1.4
167.02278	2.8
167.97163	2.6
172.68674	1.3
173.13245	6.0
191.06796	1.9
191.14302	14.0
192.06645	1.4
196.48705	1.3
201.00639	1.5
214.03867	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.73468	1.0
55.01801	1.6
55.05453	9.6
55.54192	1.0
56.96498	11.3
57.03368	1.1
61.57988	1.1
67.05410	2.2
69.03350	12.0
69.06977	6.8
71.04898	2.0
72.93693	2.4
75.42976	0.9
79.05406	9.3
81.06976	5.8
83.04896	9.4
83.08534	1.6
90.94741	1.9
91.05407	17.3
92.10766	1.1
93.06969	8.0
95.04887	1.4
95.08514	2.8
97.06462	2.1
105.06978	32.2
107.04919	1.6
107.08537	40.3
107.09272	1.4
109.06473	4.7
109.10135	1.3
117.06982	2.5
119.08547	9.2
121.06452	2.2
121.10105	11.5
123.07982	2.6
129.06949	1.2
131.08539	23.6
133.10100	100.0
135.07990	10.5
140.53462	1.8
143.08521	6.3
145.10107	10.1
147.11652	7.6
149.01221	1.9
149.09628	4.8
149.13226	5.9
149.53996	2.3
149.96078	1.4
158.10944	8.1
161.09592	5.5
163.07500	2.4
163.11127	1.6
167.97142	1.6
173.13243	26.8
191.14272	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	(+)-Harzialactone A
Peak:m/z	Relative Intensity
55.01810	0.6
55.05453	0.9
55.50361	0.3
55.75145	0.3
56.96509	3.4
57.03370	10.4
65.03852	1.8
67.05417	2.1
69.03362	0.5
69.06970	0.4
79.05396	1.9
80.26321	0.4
81.06978	1.0
87.04393	0.4
87.80205	0.4
91.05402	100.0
92.10310	0.7
93.06971	0.8
95.04893	0.7
95.45437	0.5
96.91718	0.4
105.06954	6.0
107.08494	0.6
111.04430	0.8
119.08547	1.9
122.03600	0.8
128.98592	1.0
133.02783	4.4
133.06458	0.8
133.10101	8.8
137.02843	0.4
137.05956	2.4
146.99637	2.3
147.11693	0.7
148.07547	0.4
149.02260	0.6
153.83615	0.5
161.05972	0.7
165.05399	3.7
178.02568	2.0
193.04916	11.5
193.08498	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	194.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.4
55.01797	2.1
55.05442	1.9
55.76578	1.3
56.96504	18.8
57.03358	2.2
63.55568	1.5
64.63992	1.7
65.03854	9.9
67.04151	7.5
67.05407	2.6
69.03330	2.2
70.06463	2.0
71.04881	1.7
72.08054	1.4
72.16255	1.3
78.03365	1.7
79.05414	1.8
80.04929	6.2
81.03333	2.6
81.06960	2.6
82.06478	3.2
84.04429	1.4
85.02824	1.9
87.04383	9.1
89.03834	19.5
91.05404	19.3
92.05726	3.2
92.10196	2.5
92.63589	1.5
93.06959	1.8
94.06476	2.2
95.03630	28.3
95.04201	2.0
95.04327	2.4
95.04893	45.6
97.02802	1.7
98.97520	10.4
99.04467	1.7
105.06968	11.1
105.18235	1.6
106.02834	7.8
106.06480	2.4
106.07267	1.9
107.03653	10.8
108.04386	6.1
110.05991	100.0
116.98591	12.6
117.03327	55.9
119.04886	2.2
120.04391	7.1
120.08013	6.2
121.06439	1.9
122.05972	12.2
123.04369	7.4
124.05173	1.7
131.08470	2.2
133.10094	20.5
134.02321	8.5
134.03554	7.7
134.05931	2.7
134.10414	12.8
134.99635	12.6
135.04387	6.0
136.03853	1.5
136.07524	6.4
136.22090	1.4
136.55991	1.5
138.05469	10.3
138.71455	1.5
145.02821	92.8
148.07513	3.1
149.04680	51.1
149.05931	29.2
150.01770	2.2
151.02557	11.8
151.07536	2.5
152.07051	3.7
153.00722	2.1
162.03020	2.4
163.03815	6.0
164.06873	1.8
166.04941	60.4
166.08607	9.7
167.05710	5.6
173.04791	2.1
176.07094	1.8
177.05424	96.9
194.04427	71.2
194.07970	21.0
194.11728	2.8
194.15303	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	194.0812
Annotation	Northalifoline
Peak:m/z	Relative Intensity
50.14368	0.4
56.96498	1.1
61.72289	0.5
78.04622	0.7
82.89515	0.4
89.03297	1.1
89.03829	22.2
89.04381	0.7
89.51598	0.5
91.05391	7.8
95.04907	0.7
98.97495	2.0
103.05400	0.9
106.04113	1.0
116.98562	1.9
117.03323	58.8
119.04907	5.2
134.03589	6.9
134.93405	0.6
134.99628	1.1
135.04369	6.3
136.05121	0.7
138.69272	0.5
145.02815	100.0
146.03108	1.0
148.07550	0.7
149.05954	25.9
151.07507	2.2
152.07019	2.4
162.03041	3.2
163.03938	5.1
176.07014	0.6
177.05429	94.7
178.05762	0.9
194.08040	11.7
194.15306	2.0
196.35907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15424	1.1
52.81219	1.2
54.25852	0.9
54.81808	1.1
55.01816	1.1
55.46192	1.0
56.96498	9.4
58.73516	1.0
71.04902	1.3
73.60043	1.0
79.05402	1.5
80.04921	1.6
81.03328	1.9
81.06991	2.0
83.04935	1.2
87.04382	6.2
89.03825	21.8
91.05386	8.0
93.06958	1.2
94.06480	1.4
95.04896	1.7
97.02865	1.3
98.97520	2.7
99.79946	1.1
100.01688	1.2
103.05438	1.2
107.04858	1.5
108.04403	2.7
108.08057	1.2
110.05989	1.5
116.98573	2.5
117.03323	62.5
119.04874	4.5
120.04354	1.3
120.08054	2.3
134.03561	6.3
134.05893	1.6
134.99623	2.3
135.04393	8.4
136.05238	1.2
136.07486	4.4
145.02820	100.0
148.07579	4.1
149.05960	26.0
152.07051	5.4
153.00681	1.5
162.03078	1.6
163.03873	5.6
166.08611	5.4
173.81828	1.2
176.07016	2.0
176.10669	1.5
177.05432	96.5
178.39114	1.1
180.32330	1.3
194.05258	1.4
194.08099	20.0
194.11739	1.9
194.15317	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	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.05438	0.8
56.96502	1.1
57.19532	0.5
71.04888	0.7
78.04615	1.5
78.81002	0.5
79.05411	1.3
81.03316	2.3
87.55299	0.7
89.03837	41.1
91.05395	4.1
93.06968	1.1
95.04910	1.0
103.05389	1.2
106.04111	3.5
107.04891	1.4
117.03322	77.3
121.06490	1.1
125.05913	0.7
132.63110	0.6
134.03592	13.1
134.99634	0.8
135.04387	10.7
144.93039	0.6
145.02818	100.0
146.03148	0.7
147.71024	0.6
148.97301	0.7
149.05946	34.4
149.97218	0.8
154.00908	0.6
157.36067	0.7
162.03041	2.4
163.03851	10.4
177.05423	80.3
186.05388	1.1
195.06522	0.8
198.10786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43253	0.8
53.03881	5.7
55.01809	2.0
55.05443	2.5
56.96500	25.0
57.03363	2.1
59.04907	1.7
60.69462	0.9
61.40622	0.9
65.03872	1.6
67.05428	2.4
68.96243	4.6
69.03345	1.2
69.06982	2.2
69.96094	1.6
70.06523	1.3
71.04895	5.9
79.05426	1.3
80.04919	1.1
81.03338	40.6
84.08054	6.1
85.02830	5.8
86.69556	1.0
89.03855	1.5
89.05952	42.8
91.05391	4.1
92.64239	1.0
93.06949	1.8
95.04893	4.6
96.04417	20.6
97.02827	2.1
98.97509	61.7
103.05415	2.1
103.18384	1.0
107.04870	1.2
107.06974	4.3
109.02831	14.2
111.04385	2.4
116.00153	1.3
116.98566	87.0
117.03337	4.6
121.02765	1.4
121.06461	8.7
123.04372	2.4
124.07568	1.1
125.05930	1.8
127.03808	1.6
128.98589	1.0
130.96298	1.7
131.96132	7.9
133.08588	6.9
134.01192	3.7
134.99625	100.0
135.04373	1.6
136.00049	1.4
145.02797	7.5
146.99603	1.1
148.97359	8.4
149.01175	2.3
149.05942	3.8
149.97173	26.0
150.05466	1.1
150.09026	1.5
153.00684	32.5
153.05440	5.8
158.01233	2.0
163.03830	2.4
167.98212	4.8
171.98891	2.5
172.95264	3.8
172.98766	5.4
177.00662	7.8
177.05434	6.4
178.04903	2.1
190.96223	2.5
195.01744	10.3
195.06464	4.3
195.12332	1.7
196.09639	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	195.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	2.2
55.01794	1.4
55.05445	1.0
56.59143	0.9
56.96237	1.3
56.96499	28.0
57.03361	5.0
57.50527	0.8
58.83216	0.7
58.86303	0.7
59.04926	1.7
61.02840	1.4
64.33207	1.0
65.03856	2.0
67.05427	2.1
69.03330	5.0
69.06946	1.2
69.96085	3.5
70.06497	1.0
71.04894	4.5
79.05423	2.0
81.03335	41.1
81.06988	1.0
84.08058	6.1
85.02821	5.0
89.03813	1.4
89.05953	42.8
91.05399	1.6
93.06959	1.6
94.06517	1.1
95.04892	4.5
96.04420	13.9
97.02798	1.9
98.50982	1.1
98.97513	59.3
99.04352	1.1
103.05393	1.1
107.06998	1.6
108.32306	1.0
109.02144	1.3
109.02824	16.5
109.98888	1.3
111.04417	3.1
116.00220	1.1
116.98566	78.9
117.03328	5.2
121.06425	2.0
122.05992	1.6
123.04392	1.4
125.05927	3.5
126.97993	0.9
127.03870	2.0
130.57402	0.9
130.96262	2.2
131.00116	1.1
131.96123	6.0
133.08566	5.5
134.01190	1.4
134.99620	100.0
135.04404	1.1
135.99916	1.1
138.54112	1.3
145.02765	6.6
148.97322	7.2
149.01180	3.7
149.05949	5.9
149.07001	1.0
149.97188	19.4
150.09221	1.0
153.00682	29.2
153.05437	4.0
158.01254	1.6
160.97554	1.4
163.03806	1.5
167.98167	1.5
171.98894	2.1
172.95210	2.1
172.98714	3.8
177.00731	7.4
177.05331	9.0
178.00104	1.2
178.04907	1.2
190.96194	4.0
195.01785	8.1
195.06419	2.0
195.12369	1.5
196.09651	6.4
212.19928	1.0
214.99664	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03868	3.7
54.82202	2.3
55.01817	4.2
55.05445	31.9
57.03386	4.8
65.03862	3.2
67.05422	74.7
69.06985	21.4
73.73363	2.4
73.87450	3.0
79.05407	47.4
81.03333	17.0
81.06971	100.0
83.04880	6.8
83.08535	11.5
91.05402	50.8
93.06968	51.0
95.04897	13.3
95.08528	21.7
97.06443	5.1
105.06971	16.9
107.08530	15.9
117.03358	4.2
117.06968	14.3
121.06425	3.3
121.10046	3.2
131.08540	12.4
133.06488	14.9
133.10124	13.5
135.11665	14.8
136.05257	3.7
145.02817	3.5
149.13242	6.0
159.11638	5.2
163.03825	21.3
177.12619	3.8
185.05957	2.7
195.09117	5.9
195.13693	5.6
210.80438	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	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
50.97688	1.2
53.03879	2.9
53.48449	1.3
53.70534	1.4
55.01814	3.4
55.05440	9.3
56.96504	19.5
57.03365	2.4
58.65796	1.5
59.04932	6.3
62.01678	1.4
62.22966	1.7
63.01904	1.5
67.05437	15.9
69.03336	9.6
69.06978	4.2
69.96088	3.2
71.04904	7.1
71.95185	2.0
79.05405	12.3
81.03340	35.4
81.06977	15.2
83.04893	9.0
84.08041	2.1
85.02808	4.0
89.03828	7.1
89.05989	1.9
91.05416	12.7
93.06969	24.6
95.04883	9.8
95.08537	28.0
97.06457	2.7
98.97495	8.5
99.04375	1.7
103.05405	8.4
105.03699	3.1
105.06980	8.8
107.04872	2.6
107.08540	25.6
109.02818	11.6
109.06457	3.7
109.10111	13.0
111.08038	2.8
116.98593	13.0
117.03358	14.1
117.06891	2.9
119.08523	14.0
121.06474	15.3
121.10108	13.8
125.09544	2.1
127.03864	2.1
130.90257	1.6
130.96239	2.0
131.00113	2.0
131.04886	3.0
131.08517	2.7
131.96106	8.0
133.10068	2.8
134.03601	2.4
134.99637	22.5
135.04369	6.7
135.08046	12.1
135.11650	16.6
137.09589	100.0
145.02823	16.9
148.97313	12.4
149.01201	2.6
149.05997	11.9
149.09622	2.7
149.13210	7.7
149.97183	42.3
153.00685	3.2
154.97694	2.3
159.04390	2.5
159.11658	8.8
163.03867	2.0
167.98210	3.0
172.98767	9.8
177.05429	33.9
177.12642	15.3
195.06462	2.6
195.13776	4.2
195.15614	2.7
196.09607	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	195.1379
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
51.38615	2.3
53.03872	3.8
55.05441	5.3
56.68975	1.9
56.96260	2.3
56.96499	28.3
57.03365	2.6
57.07016	2.5
59.04933	2.3
60.95724	2.1
67.05431	19.8
67.60876	2.2
68.96244	2.3
69.03365	8.2
69.06981	9.9
69.96084	13.3
71.04910	3.1
71.94014	10.6
71.95177	5.3
72.93649	3.2
79.05395	14.2
81.03336	33.5
81.06968	25.0
83.04898	10.6
89.03820	13.2
91.05418	18.1
93.06957	22.3
95.04888	5.3
95.08533	28.4
97.06451	2.6
98.97504	5.4
99.08015	3.1
103.05409	2.9
105.06948	3.5
107.04923	3.0
107.08543	29.8
109.02808	12.7
109.06473	4.8
109.10101	16.6
111.07962	3.3
116.98542	14.9
117.03352	25.0
119.08563	17.4
121.06457	10.6
121.10106	14.3
131.96071	24.1
133.10068	10.6
134.99611	16.6
135.04324	3.1
135.07982	14.1
135.11664	26.8
135.56146	2.5
137.09589	91.4
144.09387	3.7
145.02859	31.9
148.97339	10.5
149.01237	5.2
149.05977	10.7
149.97183	100.0
153.12706	3.2
154.97717	5.1
159.11656	9.4
163.03900	4.1
167.98158	20.2
171.98897	3.9
172.98779	25.8
177.05418	27.1
177.12682	15.0
195.03468	2.5
195.06618	2.7
195.13744	9.9
195.15486	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	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03885	0.4
54.69021	0.2
55.01812	2.1
56.27187	0.2
56.96495	0.4
57.06986	0.4
59.97377	0.3
65.03861	2.3
67.05424	1.9
70.95774	2.2
72.93702	1.6
73.02424	0.5
73.02830	13.4
78.59366	0.2
79.05387	0.4
82.17189	0.2
85.02844	1.0
85.06477	0.4
88.80274	0.3
88.96849	1.1
90.94724	0.4
91.01753	0.3
91.03905	0.3
91.05403	3.7
93.03336	0.4
95.04902	2.5
95.05437	0.3
105.03345	1.4
107.08566	0.3
108.02029	3.0
109.02843	0.6
109.06448	0.4
110.03608	1.7
111.04369	2.0
111.98434	1.4
113.70103	0.3
119.04884	1.6
123.04439	0.3
123.95515	0.3
125.05945	9.4
126.75821	0.3
129.99454	1.2
132.95799	3.2
136.01593	0.4
137.05952	1.0
141.05432	6.9
149.05937	3.1
150.96849	9.6
151.03883	100.0
151.04991	10.1
151.07376	2.5
152.04237	0.6
155.97379	0.5
173.98460	3.4
179.06998	12.3
179.08577	0.4
197.08073	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	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
51.02297	0.3
53.03892	3.8
55.01796	0.2
55.05455	0.4
56.96484	0.2
57.03378	1.3
62.40115	0.1
67.05432	0.6
69.03342	0.6
69.06985	0.3
70.02870	0.4
70.82507	0.2
70.95787	2.4
71.04915	0.3
72.93697	1.4
73.62766	0.2
77.03856	0.2
79.05407	3.9
81.03336	0.3
81.06982	0.3
83.04897	0.2
84.71490	0.1
88.96828	0.9
90.94778	0.2
91.05393	0.4
93.06985	0.2
95.04901	14.2
95.08466	0.2
105.03338	100.0
105.04479	2.7
106.03666	0.8
107.08545	0.4
108.08092	0.2
109.06458	0.2
109.10104	0.7
111.98438	1.1
113.05969	0.6
113.96368	0.2
123.04386	2.4
126.09093	1.1
129.99469	1.3
132.95779	2.2
133.10126	1.1
137.09624	0.7
150.96866	7.8
151.03929	0.8
154.08635	0.2
155.07045	0.2
155.97360	1.2
168.97939	0.2
173.98483	2.9
179.06982	2.1
179.10606	0.4
197.11781	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.25093	1.2
55.05452	2.6
56.96499	7.8
59.04956	3.8
64.33839	1.2
67.05428	6.8
69.06987	2.4
70.95787	11.8
71.73931	1.1
72.93708	9.5
74.63825	1.2
74.93064	2.3
74.93769	1.4
79.05380	9.2
81.06978	12.3
88.96818	1.5
91.05399	26.2
93.06976	30.0
95.04895	12.7
95.08535	2.2
97.06477	1.4
99.04482	1.3
99.27835	1.2
105.06981	55.7
107.04901	1.3
107.08537	89.2
109.06451	13.0
109.10112	9.1
109.54982	1.4
110.97987	1.2
111.98435	7.2
112.45369	1.3
117.06949	1.7
119.00114	2.5
119.04891	3.2
119.08537	14.7
121.06467	5.7
121.10167	1.6
123.04375	6.7
123.11674	2.5
125.06000	2.1
129.99481	2.9
131.08524	2.8
132.95790	13.6
133.10095	100.0
134.92012	1.2
135.08018	1.9
135.11656	54.9
137.05936	5.7
137.09628	5.1
146.07259	2.5
149.02335	4.9
149.97159	1.8
150.96857	37.9
151.11136	6.6
155.97417	4.9
161.09587	37.8
168.97897	1.7
173.98412	12.3
179.10631	95.7
193.04962	2.6
193.92130	1.3
197.11710	54.6
206.22800	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.01525	1.0
50.20205	1.1
51.45984	1.0
54.81329	1.2
55.05446	4.4
59.04922	2.5
67.05439	8.4
74.83447	1.1
79.05399	9.1
81.06970	9.2
85.95837	1.1
91.04897	1.6
91.05409	26.7
92.16217	1.1
93.06972	34.1
95.04887	13.3
95.08514	4.6
98.99113	1.1
99.04408	1.5
105.06271	1.4
105.06978	46.1
107.08544	83.9
109.06442	9.3
109.10101	8.6
111.98437	1.4
119.04865	2.7
119.08529	13.1
121.06426	8.4
121.10107	1.4
123.04388	4.7
123.11628	2.8
127.20932	1.1
131.08560	5.2
132.95804	2.0
133.10094	100.0
135.08038	1.5
135.11668	51.5
137.05942	6.5
137.09583	5.7
143.08464	1.5
146.07219	1.5
150.96892	6.6
151.11180	6.3
160.63162	1.1
161.09589	36.5
173.98386	1.7
179.10640	94.1
197.11705	72.9
197.13544	2.4
204.70276	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03888	5.3
55.01811	1.1
55.05449	1.6
56.12932	0.8
56.96498	1.3
57.03364	1.3
57.07001	0.7
59.04926	1.2
65.03896	0.8
67.05418	4.3
69.03341	1.0
69.06983	0.8
69.38343	0.7
70.06499	3.5
70.95785	15.0
72.93711	10.0
73.02820	0.9
79.05413	6.2
81.03309	0.7
81.06963	3.8
82.98046	0.7
83.04878	0.7
85.02831	0.7
88.96827	3.4
90.94752	3.2
91.05402	8.9
93.06979	10.7
95.04899	19.5
95.08537	1.1
97.06430	0.8
105.03339	100.0
105.04459	4.0
105.06973	16.4
107.08537	29.3
107.09273	0.9
109.06459	1.9
109.10127	2.8
111.98413	9.1
113.96319	1.0
119.08542	3.8
121.06470	1.4
121.10102	0.8
123.04377	5.3
123.08060	1.3
129.99495	7.0
132.95798	11.9
133.10098	29.8
135.11674	15.0
137.05992	1.2
137.09602	1.1
149.97163	0.9
150.96863	46.7
151.03871	3.4
151.05070	0.8
151.07544	0.9
151.11220	1.0
155.97430	5.2
161.09596	8.9
168.97929	2.8
173.98473	15.7
179.07002	1.7
179.10626	30.2
180.02870	1.0
197.11713	18.4
216.63640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33583	0.5
55.01801	2.7
55.05215	0.5
55.05449	7.5
56.96493	1.2
57.03357	2.0
57.07002	5.9
57.93496	0.6
61.02838	0.8
67.05406	0.9
68.04946	8.7
69.03347	5.2
69.06984	6.5
70.86868	0.4
70.95781	0.6
71.04873	0.4
71.08530	2.1
73.02808	1.8
75.09553	0.5
75.94477	0.5
79.05402	0.9
81.06953	1.9
83.08533	6.7
85.02818	20.3
85.10119	0.4
86.05966	1.0
93.06976	1.0
95.04892	0.7
95.08509	1.9
96.04411	2.3
97.02830	4.2
97.06452	1.1
97.10098	4.8
98.97514	7.0
99.04366	1.0
100.07549	0.9
101.02294	0.9
107.08524	0.9
107.38922	0.4
110.05963	0.5
111.08019	0.5
115.03883	0.5
116.97172	5.6
116.98544	9.3
124.03902	43.4
127.03854	6.5
134.99625	10.1
138.05478	3.8
140.04645	0.8
142.04929	2.5
145.04959	4.7
150.96857	2.8
151.96898	0.8
152.96916	2.5
153.00671	2.6
156.06514	4.4
158.01208	2.0
163.05956	2.3
166.04970	8.1
170.97946	0.8
175.98471	4.1
176.02248	0.9
184.06035	6.2
198.07524	3.7
198.18486	100.0
206.94002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33583	0.5
55.01801	2.7
55.05215	0.5
55.05449	7.5
56.96493	1.2
57.03357	2.0
57.07002	5.9
57.93496	0.6
61.02838	0.8
67.05406	0.9
68.04946	8.7
69.03347	5.2
69.06984	6.5
70.86868	0.4
70.95781	0.6
71.04873	0.4
71.08530	2.1
73.02808	1.8
75.09553	0.5
75.94477	0.5
79.05402	0.9
81.06953	1.9
83.08533	6.7
85.02818	20.3
85.10119	0.4
86.05966	1.0
93.06976	1.0
95.04892	0.7
95.08509	1.9
96.04411	2.3
97.02830	4.2
97.06452	1.1
97.10098	4.8
98.97514	7.0
99.04366	1.0
100.07549	0.9
101.02294	0.9
107.08524	0.9
107.38922	0.4
110.05963	0.5
111.08019	0.5
115.03883	0.5
116.97172	5.6
116.98544	9.3
124.03902	43.4
127.03854	6.5
134.99625	10.1
138.05478	3.8
140.04645	0.8
142.04929	2.5
145.04959	4.7
150.96857	2.8
151.96898	0.8
152.96916	2.5
153.00671	2.6
156.06514	4.4
158.01208	2.0
163.05956	2.3
166.04970	8.1
170.97946	0.8
175.98471	4.1
176.02248	0.9
184.06035	6.2
198.07524	3.7
198.18486	100.0
206.94002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77284	3.9
57.03355	4.8
60.08103	8.9
61.27444	4.1
69.55949	4.0
72.62511	4.7
85.02812	7.7
90.15879	4.7
95.06015	48.3
127.03828	7.0
137.90805	5.5
154.13367	7.6
198.08896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13083	0.6
55.01802	6.9
55.05455	8.7
56.96481	1.1
57.03374	9.5
57.07013	5.8
58.99790	0.9
59.04926	0.7
60.08076	1.3
61.02855	6.7
68.04930	0.8
69.03347	23.8
69.06980	7.4
71.04897	1.8
71.70516	0.7
72.08068	1.1
73.02819	8.4
79.05400	1.2
81.03336	1.7
81.06963	1.4
82.01376	2.4
83.04902	1.1
83.08542	7.5
85.01337	1.3
85.02825	82.3
86.05978	1.1
91.03860	1.7
93.06934	1.0
95.06013	9.4
95.08518	1.0
97.02815	24.6
97.06458	1.0
97.10091	3.5
98.97441	0.8
99.04381	7.1
100.02411	21.2
100.07479	1.6
101.02307	4.3
103.02375	20.1
103.03854	1.1
109.02869	2.5
115.03864	3.1
117.05431	1.3
118.03459	23.7
121.03432	28.5
121.10037	1.1
126.03975	1.3
127.03870	33.3
131.01895	5.6
134.86249	0.9
135.04333	0.8
137.02782	0.9
140.04668	1.0
144.05043	4.3
145.04921	23.6
147.01367	13.7
149.02936	5.4
152.07031	1.1
154.03392	1.7
154.13385	1.3
163.05998	8.2
165.02419	1.3
170.02956	23.9
180.08708	1.4
181.02582	1.2
188.04015	1.2
198.11198	1.5
198.18489	100.0
213.97824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1328
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.22758	0.9
51.06261	0.9
53.00262	1.0
53.03880	1.8
55.01811	1.1
55.05451	34.8
56.96495	15.7
57.03377	1.4
57.07014	22.1
57.93497	10.0
58.94583	1.2
67.05431	5.3
69.06973	8.1
71.04927	1.1
72.04447	1.8
74.09636	11.3
75.94522	5.8
76.92786	1.4
79.05402	2.9
81.06979	7.1
83.04899	12.9
83.08563	4.9
85.06464	6.0
86.71339	1.4
91.05407	4.9
93.06972	12.4
93.68407	1.1
93.95557	2.8
95.04906	7.3
95.08524	11.8
97.06477	9.9
98.97514	40.2
100.07548	1.8
102.09132	5.6
105.06973	5.3
107.08526	18.6
109.06469	2.8
109.10126	1.4
111.04388	100.0
111.08004	2.9
113.05959	1.4
116.97184	63.1
116.98545	59.4
116.99388	2.3
117.06945	1.6
121.06431	2.3
121.10084	1.6
122.07214	1.8
123.08005	1.3
125.05967	31.4
127.07534	2.3
130.07808	1.8
131.99522	11.1
134.98582	2.5
134.99622	72.9
135.08034	18.5
135.09013	2.2
135.11644	13.8
139.07513	2.8
140.04671	7.5
145.10107	17.6
148.96185	5.9
152.96916	22.5
153.00681	26.6
153.12708	2.6
158.01253	7.9
158.15343	13.7
163.11127	14.2
170.97931	9.7
175.98488	31.1
176.02187	4.2
176.29280	1.3
181.12219	21.3
198.18469	21.0
199.18889	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42730	0.6
55.05457	15.0
57.07013	1.1
57.93500	0.9
67.05418	1.0
69.06991	100.0
71.04901	3.8
74.09637	1.0
75.94508	1.6
77.95551	0.6
81.18816	0.6
83.08527	3.6
98.96104	0.7
98.97529	2.4
109.63945	0.6
111.11678	20.8
116.97187	21.9
116.98481	2.0
131.99509	3.8
134.95834	1.1
139.98781	0.7
142.85791	0.7
152.96892	8.2
157.97581	0.7
170.97975	1.6
175.98505	11.5
181.84109	0.7
199.18813	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	200.023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31911	0.3
54.81408	0.4
56.96499	16.9
62.24146	0.4
63.44650	0.4
68.42043	0.4
70.63985	0.4
71.95176	1.0
73.46298	0.4
93.28194	0.4
93.52826	0.4
94.44241	0.4
98.97511	100.0
116.98566	91.6
119.83311	0.5
124.27625	0.4
134.99620	60.8
140.00174	0.9
153.00673	14.1
158.01216	2.8
176.02379	0.5
177.00684	1.6
195.01704	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	202.2163
Annotation	DDAO
Peak:m/z	Relative Intensity
50.73547	1.0
50.96287	1.2
57.07010	41.9
58.06516	6.4
58.34442	1.3
61.96649	1.3
62.05760	1.4
62.06017	21.3
65.26303	1.1
66.41983	1.2
71.08533	9.2
71.10941	1.3
76.86214	1.1
85.10078	5.7
184.20529	11.2
202.21625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1391
Annotation	H-ILE-ALA-OH
Peak:m/z	Relative Intensity
52.92245	0.4
55.01801	0.5
55.05440	1.1
56.04970	0.6
56.96494	2.0
57.03369	0.4
57.05730	0.4
58.06539	0.5
58.40056	0.4
60.04467	4.1
61.02841	0.4
69.03341	0.7
69.06989	17.4
70.06493	1.1
72.08076	4.9
73.06469	2.1
74.06001	0.9
84.04417	0.6
84.08068	5.7
85.02833	0.6
86.09629	100.0
87.71938	0.4
90.05482	2.7
97.02845	1.0
97.07600	0.7
98.97537	0.5
100.44630	0.5
101.04784	0.4
102.05482	12.5
102.06111	0.9
112.07583	0.7
112.11182	2.5
114.10211	0.6
116.07001	0.8
116.98554	0.7
119.01868	4.0
120.01969	2.1
120.96524	0.5
120.97872	0.8
121.01685	0.7
130.06497	0.9
137.02951	2.5
138.03175	1.9
138.98886	0.4
143.03450	0.8
143.11769	9.8
144.10184	27.2
148.52112	0.6
158.06017	0.6
158.11760	2.8
161.02927	0.8
173.02995	0.8
180.04169	0.8
185.13628	0.5
186.12352	2.1
203.05290	2.3
203.15067	13.3
203.18117	0.5
204.51938	0.4
220.82661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1503
Annotation	Arg-OEt
Peak:m/z	Relative Intensity
53.27964	0.5
55.05449	4.3
55.13602	0.6
56.96493	1.3
60.04445	4.4
64.33416	0.8
69.03356	0.9
69.06992	12.6
70.06522	1.5
72.08082	10.4
73.02163	0.6
73.02827	1.1
73.06474	6.8
74.05987	2.9
83.13748	0.7
84.04423	1.1
84.08077	10.2
84.38346	0.7
85.02839	0.9
86.09632	100.0
90.05491	7.1
98.05971	0.8
102.05485	34.0
112.07535	3.0
112.11185	2.9
114.00753	1.0
114.10212	0.8
115.08637	1.2
119.01877	1.5
120.01981	1.1
132.10164	1.3
137.02931	0.9
138.02985	0.9
143.11790	28.7
144.10184	61.3
154.09724	1.5
161.12851	3.0
186.12354	5.3
203.05298	1.3
203.15053	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13787	0.8
53.03884	1.6
55.01798	6.6
55.05453	45.3
56.04958	2.4
56.96480	4.5
57.03367	2.1
57.07012	11.7
58.99521	100.0
60.04459	47.9
60.95770	2.1
61.01077	10.9
61.02843	1.5
62.00568	1.0
62.92899	7.0
67.05417	1.4
68.04953	11.8
69.03339	7.5
69.06966	6.0
70.02880	1.3
70.06493	5.3
71.04896	1.7
72.04456	0.9
73.01050	27.9
73.02805	1.8
74.00561	6.3
74.88924	1.1
76.02138	19.8
78.95174	2.8
79.05002	1.4
79.05402	17.5
81.03331	2.4
81.06976	89.1
83.08538	15.3
84.04420	15.9
85.01029	5.2
85.02847	7.8
86.98981	59.7
87.02597	2.2
88.02120	6.8
88.03912	8.4
88.07536	4.6
92.10716	1.6
95.08543	2.0
96.04426	13.3
97.02821	21.8
98.05964	1.3
99.02610	4.4
99.04370	5.4
100.11190	98.5
101.02280	1.2
102.09057	1.3
102.96790	5.4
103.05429	1.1
105.00037	21.6
105.06965	1.1
106.08627	2.1
107.08508	2.0
109.02811	5.2
109.10118	1.1
110.05993	1.6
112.11133	1.9
113.04202	1.4
114.05464	8.9
115.05770	14.9
115.80406	1.1
116.05288	12.4
117.05427	2.0
119.97844	4.7
120.01136	1.8
120.25927	1.2
120.96430	1.1
120.97861	8.2
121.01611	1.5
121.96603	28.0
122.94174	2.1
122.96408	6.3
123.08009	1.4
126.05477	15.4
127.03843	1.8
130.06506	2.8
138.05547	1.2
138.98927	13.1
141.02306	1.2
141.07297	9.1
145.04913	1.4
156.99899	2.0
158.05995	1.5
158.08688	1.8
158.09967	36.1
158.96194	1.8
181.02765	1.8
181.97818	6.2
186.07671	1.8
186.18451	1.5
187.07843	67.0
187.09543	2.3
204.08617	9.3
204.10469	54.5
204.19565	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	205.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	0.6
53.03892	0.9
55.01815	1.3
56.96494	1.0
57.06736	1.1
57.07014	31.2
60.04449	2.4
61.04766	0.5
65.03870	7.6
69.03342	3.5
73.41518	0.5
81.00217	0.6
81.03337	4.6
83.04932	0.8
84.04433	2.0
85.02838	2.7
85.04778	0.8
93.03345	3.0
93.06944	0.6
97.02826	12.2
98.03105	0.8
99.04381	2.8
109.02798	6.3
109.10105	0.7
111.04400	3.1
119.01856	8.1
121.02007	1.1
121.02831	23.9
121.03915	3.4
122.96451	1.0
127.03844	1.2
127.05812	0.8
131.10983	0.6
136.10191	0.6
137.02962	5.6
142.03499	7.7
149.02325	100.0
150.02641	1.1
160.04526	5.6
167.03334	2.4
181.97726	0.8
205.08891	0.6
209.96732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
51.56952	0.2
52.68818	0.2
54.22132	0.2
54.22401	0.2
54.34692	0.2
74.02357	2.5
74.35110	0.2
84.10948	0.2
89.03828	0.4
90.59989	0.2
91.05410	4.0
103.05389	0.4
115.05409	6.2
117.05714	2.6
117.06971	4.7
118.01466	0.2
118.06493	70.0
130.06491	5.3
132.08054	15.5
142.06516	6.8
143.07283	11.3
144.04471	0.6
144.08069	24.7
145.06464	1.3
146.05989	100.0
155.06058	0.4
159.09145	9.7
160.07535	2.1
166.63330	0.3
170.05977	10.0
188.07031	50.7
202.66592	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.097
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
54.15028	0.4
61.47054	0.4
72.59830	0.6
74.02345	1.8
88.26198	0.5
89.03792	0.6
91.05412	2.9
108.55885	0.5
115.05418	7.0
117.05726	3.6
117.06967	5.7
118.06486	69.8
130.06520	5.0
132.08040	14.6
142.06502	7.3
143.07275	10.8
144.06934	1.1
144.08057	26.0
145.06406	0.6
146.05980	100.0
159.09142	8.3
160.07564	1.1
170.05962	7.7
188.07027	55.7
193.04768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1183
Annotation	CHEBI:85894
Peak:m/z	Relative Intensity
54.81091	0.6
55.01794	0.7
55.05452	12.7
56.04979	7.0
57.03378	0.8
58.06538	0.8
60.04464	8.1
60.08093	0.6
61.46914	0.5
63.92882	1.0
69.03349	0.9
70.06516	1.0
72.04428	0.9
72.08070	9.6
73.02837	1.2
73.06436	0.6
74.02355	20.2
74.05975	0.9
76.07539	1.4
78.95209	4.6
80.04942	1.0
81.03355	0.7
82.06501	100.0
83.04916	2.3
84.04431	6.1
84.08072	4.9
85.02809	1.2
97.02829	2.6
99.04437	1.0
99.09153	12.2
100.02158	1.2
100.07545	14.2
102.05376	0.7
109.02840	1.1
114.09115	1.4
116.07082	1.1
118.08588	2.5
119.97853	4.1
121.01575	1.1
122.94184	2.7
123.09151	10.6
124.07570	9.1
128.07040	40.5
130.04984	0.7
134.80608	0.6
141.10202	41.8
142.08620	16.2
145.01683	0.6
145.09734	4.0
146.08176	1.0
158.96278	3.4
159.11142	0.7
163.96878	0.8
167.01358	0.6
170.08069	13.7
175.02682	1.2
181.97884	4.2
187.02661	0.7
187.10745	24.9
188.09192	0.8
205.11909	0.9
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	Unknow
Peak:m/z	Relative Intensity
53.03880	9.0
54.81847	1.6
55.01809	4.0
55.05436	11.4
55.80039	1.4
56.96494	14.9
57.03361	3.3
57.07006	2.7
60.04451	11.0
60.95771	3.7
61.02858	1.9
61.04791	2.4
63.92852	8.3
67.05414	1.6
68.02017	1.5
69.03349	18.9
69.06980	2.7
71.04910	3.2
72.08071	19.3
73.02824	4.2
73.08398	9.4
78.95189	24.9
79.05396	3.7
81.03342	23.9
81.06960	7.6
81.93846	2.0
83.04922	1.9
83.08517	1.5
85.02839	15.1
85.03281	1.8
87.04384	2.7
91.05411	34.7
93.06973	89.9
95.04891	17.0
95.08524	10.1
96.96242	2.3
97.02817	45.4
98.97530	3.4
99.04382	14.6
99.08059	1.8
102.96830	6.6
103.05408	6.5
105.06977	7.5
107.04876	3.6
107.08517	2.5
109.02829	32.1
116.96585	2.1
117.06949	7.6
118.06484	34.2
118.08590	3.1
119.00152	2.0
119.01909	3.9
119.08468	1.7
119.47614	2.1
119.97832	24.1
120.97894	3.8
121.02836	3.5
121.06455	100.0
122.94167	11.4
122.96375	2.2
123.08007	11.5
123.17873	1.7
123.96431	3.8
127.03854	10.3
131.08514	2.4
132.08040	9.1
134.99632	2.3
138.98955	4.0
139.01804	3.2
140.95224	8.9
142.03407	1.9
142.06528	2.4
143.07297	3.4
144.08080	13.1
145.04961	3.1
146.05988	69.5
149.02296	21.0
158.96286	21.3
159.09190	6.8
159.11829	2.9
159.97896	1.7
160.04538	2.7
160.07562	2.6
163.01762	3.6
163.96791	7.8
170.05960	7.5
180.99873	2.4
181.02760	12.9
181.97841	24.8
188.05740	2.5
188.07048	36.4
205.08475	3.2
205.12291	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	205.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57140	0.3
53.03868	0.6
55.01802	0.9
55.05449	8.1
55.65634	0.4
55.84652	0.6
56.96492	2.6
57.03362	0.8
57.07023	5.6
58.53928	0.4
60.04447	2.7
61.04778	0.8
63.92856	2.0
65.03840	0.5
67.05426	42.3
69.03337	3.2
69.06647	0.8
69.06985	13.9
71.04910	3.8
71.08543	1.9
78.95193	5.6
79.05404	3.3
81.03325	4.1
81.06972	46.6
83.08538	5.2
85.02828	2.6
85.06463	38.3
85.06998	0.7
85.10098	1.0
91.05396	1.0
93.06963	3.2
95.04881	0.4
95.08530	100.0
96.96241	0.7
97.02825	9.0
98.03163	0.8
99.04369	2.2
99.08022	5.8
99.63246	0.5
107.08541	0.7
109.02849	5.7
109.10102	34.6
113.09629	1.0
118.06483	2.8
119.01847	4.4
119.97850	2.7
122.94164	2.6
123.96411	2.3
127.03875	2.0
127.05915	0.6
137.02939	3.5
140.95229	2.3
142.03487	3.5
144.08069	1.0
146.05992	4.7
148.03969	0.5
149.02338	3.4
151.14786	7.0
158.96281	5.7
159.59642	0.5
160.04515	2.5
163.96849	2.5
169.15836	10.1
170.05995	0.5
181.97841	4.0
188.07050	2.7
196.76810	0.5
205.08798	0.6
205.12167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	1.5
55.01821	1.3
55.05453	11.1
56.96505	5.3
57.03372	4.8
57.07013	7.9
58.39215	0.6
59.04925	0.8
60.04454	3.0
61.02863	0.7
63.92831	3.1
64.31622	0.7
64.92736	0.6
64.96037	0.7
65.03846	0.7
67.05430	47.6
69.03345	4.9
69.06988	15.0
71.04913	2.8
71.08535	3.4
73.02814	0.9
78.95187	9.1
79.05412	5.0
81.03344	5.7
81.06976	57.8
81.93853	0.9
83.08527	5.3
85.02809	2.9
85.06466	46.6
91.05378	1.3
93.06967	4.6
95.08530	100.0
96.96250	0.8
97.02824	12.3
98.23980	0.7
99.04363	3.4
99.08028	13.1
105.06960	1.2
107.08527	0.9
109.02834	8.3
109.10104	35.8
110.59270	0.6
113.09589	2.7
117.06985	1.0
118.06474	5.5
119.01857	4.4
119.97858	6.0
122.94169	4.1
122.96386	5.8
123.96419	4.7
127.03886	3.0
127.05893	0.7
130.06511	4.4
137.02939	4.4
140.95200	2.6
142.03488	3.7
144.08025	1.7
146.06004	9.5
149.02313	6.2
151.14799	8.0
158.96242	8.2
158.97395	0.8
159.09143	0.8
160.04498	3.4
160.07555	1.2
163.96829	3.5
169.15860	11.5
170.06038	0.9
176.97322	0.9
181.97842	9.2
188.07057	4.4
197.55104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31688	0.1
53.40778	0.1
54.24828	0.1
63.66306	0.1
65.92558	0.3
78.95194	0.3
79.04025	0.2
80.94884	1.1
81.03343	0.2
82.99773	0.7
84.00995	0.1
84.08050	0.3
100.02401	1.2
101.00804	7.0
110.07124	0.2
118.03436	0.7
119.01874	100.0
120.01977	1.5
120.98166	0.3
121.01598	2.1
121.02287	0.2
121.97531	0.9
122.02045	0.2
123.02046	0.7
124.02364	3.0
124.93860	1.0
126.67605	0.2
133.03432	0.3
137.02931	68.4
138.03030	1.3
139.02577	1.1
141.03096	0.6
142.03476	84.0
142.94930	0.3
143.03619	0.9
146.03580	0.3
156.05048	0.2
160.04523	55.1
160.95938	0.8
161.02911	1.4
161.04680	0.7
164.04616	0.2
164.97134	0.3
165.05090	3.1
165.96483	0.7
179.04022	0.3
183.04407	0.2
183.06126	1.3
183.97563	1.3
184.04474	0.3
201.00600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0813
Annotation	Indolelactate
Peak:m/z	Relative Intensity
54.81683	0.7
56.96504	4.0
60.40753	0.6
62.98642	0.6
67.05425	0.8
71.08546	1.2
77.70161	0.7
78.52160	0.6
81.03333	3.6
91.05408	1.4
92.10837	0.9
97.02865	0.7
98.97523	9.4
115.05421	7.0
116.98562	8.2
117.05692	6.4
117.06966	2.9
118.06493	100.0
119.01871	16.0
123.96413	6.5
130.06497	69.3
131.07288	8.6
132.08044	22.7
134.99634	3.7
137.02924	11.6
142.03476	13.3
142.06493	11.6
143.07280	7.5
144.08069	13.6
146.05994	41.5
158.99609	3.4
160.04558	7.4
160.07553	34.0
163.06201	1.5
170.05972	31.7
170.07413	1.1
177.00688	8.9
188.07036	28.8
188.08784	1.1
198.33081	0.8
206.08090	15.7
206.11960	0.8
217.63504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0811
Annotation	Indolelactate
Peak:m/z	Relative Intensity
54.81937	0.4
56.96491	1.1
64.33636	0.5
64.92741	0.6
67.05447	0.7
69.06951	0.5
78.45354	0.6
81.03329	1.2
81.06959	0.7
84.96245	0.5
85.26003	0.5
88.02138	0.8
91.05396	2.3
115.05408	7.2
116.05322	0.6
117.05704	6.6
117.06966	2.6
118.06489	100.0
119.01875	10.0
119.06877	0.6
123.96405	4.3
130.06491	70.2
131.07303	8.4
132.08043	20.8
137.02921	7.5
142.03481	9.0
142.06500	11.1
143.07268	5.8
144.08072	13.3
145.06508	0.6
146.05984	38.9
160.04608	5.3
160.07544	34.8
170.05966	33.9
178.84593	0.6
188.07031	28.3
206.08081	20.0
208.57626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1023
Annotation	Casuarine
Peak:m/z	Relative Intensity
51.68884	1.7
53.03856	1.9
55.01812	9.8
55.05455	7.3
56.01339	1.9
56.04973	3.2
56.82444	1.6
56.96509	4.1
59.04936	9.7
59.51197	1.6
69.03351	3.1
69.06983	3.4
70.02869	16.3
70.06519	3.2
71.04913	30.4
72.04427	39.9
72.08058	3.1
73.02825	28.0
73.06451	3.0
74.05995	2.3
81.03329	8.7
81.39948	2.0
82.06514	2.0
85.02819	3.3
85.06470	3.5
86.01388	1.8
86.09624	3.1
89.05965	20.7
89.94902	1.7
90.05478	100.0
98.02350	30.5
98.05968	3.9
99.04389	23.3
100.02178	3.1
100.03901	16.0
109.02902	1.9
110.05988	9.8
112.02750	1.9
114.05505	3.1
116.03380	20.7
117.05421	2.5
119.01874	13.5
119.04913	3.0
123.96423	2.5
128.07043	64.7
128.07951	3.4
128.10698	3.9
137.02916	12.0
142.03473	11.3
142.12263	2.9
146.08107	10.0
160.04515	8.1
160.07623	2.3
160.09705	3.8
170.08102	26.0
188.09160	62.1
206.10229	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	206.1022
Annotation	Casuarine
Peak:m/z	Relative Intensity
51.80140	1.4
55.01809	7.2
55.05436	7.2
56.04963	7.9
56.96498	3.3
57.03360	2.7
59.04919	9.5
59.77146	1.6
60.04454	4.3
68.04938	3.4
69.03320	2.4
70.02852	11.9
70.06496	2.6
70.80223	1.5
71.04560	1.7
71.04912	36.6
71.08527	1.8
72.04431	37.3
73.02831	21.7
74.02344	7.9
74.05971	11.0
81.03323	9.3
81.06944	2.5
82.06486	2.7
83.04884	2.6
84.04414	4.2
84.08104	2.3
85.01051	2.2
85.02821	4.1
86.09608	7.4
88.02112	1.9
88.03902	6.7
89.05956	14.9
90.05479	100.0
96.04392	3.8
98.02343	20.2
98.03130	2.2
98.05980	2.6
98.09620	2.9
98.97481	3.4
99.04385	16.3
100.03892	7.9
100.07559	2.2
101.05960	3.1
110.05979	15.9
112.11185	2.6
114.05448	3.2
116.03396	15.3
116.06976	3.4
116.98578	1.8
118.08535	1.6
119.01855	12.8
124.07471	2.3
125.06044	1.8
128.02336	2.4
128.07037	36.1
137.02905	6.8
142.03468	7.6
142.06816	1.8
142.12259	6.5
144.10397	1.9
146.08112	15.3
152.07034	2.5
160.04514	3.9
160.05922	1.7
160.09644	11.1
160.13303	58.9
170.08058	16.7
188.09148	49.6
188.12759	6.4
201.00552	2.0
206.08276	6.6
206.10222	19.3
206.13832	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	207.1015
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
53.09078	4.9
54.30019	5.4
63.48811	5.1
67.98879	4.8
71.93394	4.8
74.07017	5.8
90.67329	6.1
91.05398	11.1
98.11277	5.5
99.43534	5.4
101.14903	5.1
105.06972	13.5
124.57710	6.3
128.06120	7.1
133.10080	8.9
146.07268	8.1
151.07529	10.9
161.09602	46.3
171.07990	8.6
174.06747	11.7
179.65256	7.0
189.09081	100.0
192.07762	9.3
204.87271	6.4
207.10147	74.2
219.04427	6.8
223.26712	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	207.1016
Annotation	Acetyleugenol
Peak:m/z	Relative Intensity
53.03888	0.9
55.01798	1.2
55.05445	3.3
56.96500	9.7
57.07003	1.6
59.04938	1.0
65.03855	1.6
65.92551	2.2
67.05427	6.7
69.03338	6.5
69.06988	2.1
71.04912	1.6
79.05400	8.7
80.94892	7.7
81.06973	12.7
83.04906	1.7
85.02827	68.0
85.03348	2.4
85.06442	1.0
91.05405	33.3
92.10896	1.5
93.06958	8.7
95.04893	4.2
95.08543	6.4
98.50982	10.0
103.05401	4.7
105.06969	69.5
107.04929	1.9
107.08513	7.5
107.51479	1.1
109.06448	8.1
109.10101	7.2
110.01821	1.7
115.05389	0.9
116.00127	1.6
117.06957	7.0
119.01936	1.6
119.04875	9.7
119.08533	36.8
120.01964	3.9
120.08038	1.2
121.06432	5.5
121.10082	8.2
121.97498	7.1
123.08001	5.3
123.11652	22.5
124.93840	3.3
125.05956	4.2
128.06133	1.8
129.06984	4.7
130.07736	1.4
131.04944	1.1
131.08542	5.4
133.06462	1.7
133.10110	5.7
134.01244	1.5
135.08066	1.3
137.02939	1.2
138.03026	4.1
139.01794	2.2
142.94919	1.5
143.03600	3.6
143.08536	6.5
145.10095	8.3
147.04401	7.9
147.08023	100.0
147.11623	11.3
148.08354	1.1
149.02299	4.0
149.09613	7.7
151.07552	2.0
152.02307	1.1
156.09264	3.9
160.04430	1.1
160.95943	7.2
160.97313	1.4
161.02864	1.4
161.04686	1.8
161.09596	9.7
165.09082	3.6
165.12720	1.3
165.96471	1.8
175.03871	5.6
179.03853	1.3
183.97539	4.7
189.09000	10.0
189.12704	4.9
207.06555	7.9
207.10066	20.4
207.13731	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.40868	0.7
54.60998	0.8
55.01794	0.9
55.05448	6.4
56.82190	0.7
56.96498	12.9
57.07003	2.2
59.04930	1.5
65.03857	1.7
65.92561	2.2
67.05431	7.6
67.05730	0.9
69.03354	4.7
69.06998	4.3
70.55949	0.7
71.04918	3.8
79.05424	8.9
79.60770	0.8
80.78382	0.7
80.94881	7.6
81.03320	1.3
81.06978	22.8
81.86104	0.9
83.04882	2.2
85.02831	100.0
85.06474	4.3
91.05409	23.4
93.06980	8.1
95.04900	6.9
95.08540	9.8
97.06432	1.2
98.97504	1.2
105.06985	20.6
107.08540	12.1
109.06480	17.2
109.10110	13.4
111.04433	1.1
111.08069	1.2
115.05305	0.9
115.96387	4.6
116.97214	1.2
116.98555	0.8
119.01861	4.3
119.04905	5.7
119.08554	22.1
120.01993	3.8
120.08047	6.7
121.00430	1.1
121.06489	3.5
121.10099	15.3
121.18793	0.8
121.97544	5.8
123.08022	9.2
123.11665	43.7
124.93871	4.5
125.05965	8.5
128.06154	1.0
129.06886	1.0
130.07768	1.1
131.08542	6.0
133.06477	2.0
133.10094	1.7
133.97485	1.8
137.02885	1.4
137.09605	3.7
138.03056	5.0
142.94934	1.2
143.03656	2.2
145.10141	6.5
147.04422	3.6
147.08032	6.0
147.11662	19.1
149.02251	1.7
149.09605	13.2
151.03922	1.2
151.07541	4.1
156.09340	4.9
159.08064	1.3
160.95982	4.3
161.03102	1.0
161.04675	2.2
161.09579	1.1
161.13248	1.8
163.11136	1.5
164.04807	1.1
165.12712	1.2
165.96544	1.4
171.11601	1.1
172.57861	1.0
174.10403	1.6
175.04004	0.9
183.97595	6.0
189.12709	11.1
192.04243	1.2
207.06494	7.3
207.13783	30.1
214.74611	1.0
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
55.05455	4.6
56.96498	10.0
57.06993	1.4
59.04907	1.2
64.92731	1.0
65.22856	0.9
65.92551	1.6
67.05431	6.9
68.74751	1.0
69.03346	6.0
69.06980	5.0
69.72368	1.0
71.04894	1.2
75.33376	1.0
79.05394	9.1
80.94872	6.0
81.06969	17.9
85.02824	100.0
85.06445	2.1
86.66934	1.1
91.05408	27.6
93.06985	8.1
95.04870	2.2
95.08506	9.2
98.50986	7.0
103.05383	2.5
105.06973	54.5
107.04897	1.2
107.08554	11.1
109.06480	11.2
109.10110	10.6
111.04414	1.2
117.06939	7.8
119.04869	8.6
119.08530	34.5
120.01958	1.8
121.06451	5.3
121.10093	10.7
121.97518	5.4
123.08035	5.3
123.11662	40.0
124.93853	2.1
125.05942	10.1
129.06947	4.1
130.07750	1.9
131.08554	6.6
133.06458	2.0
133.10110	2.1
134.01234	1.6
137.02869	1.5
137.09576	1.7
139.01773	2.1
143.03612	4.9
143.08575	2.0
145.10112	9.3
147.04417	5.3
147.08014	54.8
147.11659	19.3
147.60255	1.2
149.02399	4.4
149.09601	9.4
151.07535	2.7
156.09358	6.1
159.08099	1.6
160.95959	6.5
161.04692	4.3
161.09581	6.4
161.13171	2.0
163.11243	1.2
165.09044	1.2
165.96402	1.4
171.11624	1.7
174.10307	1.2
175.03862	2.1
177.05357	1.4
183.97600	7.4
189.09058	4.3
189.12776	6.8
192.04257	1.2
201.72186	1.0
207.06477	5.4
207.08441	1.0
207.10118	9.8
207.13776	30.9
228.41191	1.2
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
55.05453	8.0
56.96495	1.9
57.07006	3.9
57.20074	0.6
57.77042	0.7
59.04937	0.8
62.92844	0.8
65.03881	1.1
67.05428	32.5
69.03351	3.6
69.06976	0.9
79.05415	3.3
80.94878	3.5
81.03315	1.0
81.06973	5.2
85.06474	5.7
91.05396	10.7
92.10275	1.0
93.06982	13.9
95.04903	3.5
95.08534	100.0
95.59506	0.7
98.51003	3.1
98.94923	0.8
105.03343	1.8
105.06971	12.4
107.08537	13.0
109.06477	3.4
109.10088	1.2
113.05962	2.0
117.07023	1.1
117.38955	0.9
119.04889	1.2
119.08528	14.7
121.06503	1.1
121.10069	8.9
121.97585	0.9
123.08016	23.4
123.11675	3.6
131.08543	1.1
133.10072	3.4
135.11685	1.9
137.09622	1.2
147.08032	1.9
147.11650	4.8
149.02319	1.3
149.09598	21.5
161.13229	5.2
165.12726	4.9
169.04637	0.8
174.10394	1.1
183.97531	1.4
189.12709	5.8
207.06525	1.3
207.13766	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	208.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31260	0.4
62.77544	0.4
63.97812	0.4
64.21581	0.3
66.92667	0.6
74.99286	0.4
77.00819	0.6
80.94865	0.8
81.03315	0.4
81.94983	2.4
82.94765	1.0
84.99534	0.7
102.02112	0.4
103.00549	4.0
105.00309	0.8
106.00348	0.5
106.96537	1.9
109.02811	0.4
115.02419	0.7
119.01865	6.3
120.01960	8.5
120.03226	0.5
121.01620	60.8
121.02290	2.7
122.97658	2.5
123.97446	1.0
124.97539	2.2
125.93975	1.0
126.02177	1.7
126.93742	0.6
131.01855	2.0
133.03433	0.7
137.02954	3.9
138.03043	6.5
139.02673	44.8
141.03876	0.5
142.03496	0.8
142.98634	2.4
143.01917	0.6
143.03607	7.7
143.95050	0.7
144.03207	48.4
144.94682	0.4
147.04996	0.6
149.00809	1.0
149.02768	0.6
157.03450	4.6
159.05005	0.5
160.04512	2.1
161.03047	3.4
161.04646	4.6
161.96071	2.2
162.03033	6.3
162.04228	32.2
162.95790	1.0
166.96681	0.7
167.01846	4.0
167.04799	1.8
175.04492	1.7
179.03952	1.7
180.04138	2.5
184.04442	0.7
184.97714	2.9
185.02934	100.0
185.97548	0.8
186.03162	0.5
190.03491	0.7
203.03973	32.6
208.04532	16.9
226.05551	2.1
228.17908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96492	5.2
57.06986	1.3
58.99512	13.3
59.04928	4.8
62.72416	0.9
62.98697	1.5
62.99003	38.8
67.05421	13.4
69.06985	85.3
73.02840	1.1
74.00571	2.2
77.00560	1.0
86.98975	6.8
88.02142	6.0
88.03910	4.8
90.45677	0.9
98.97498	1.7
101.04159	4.7
105.00030	6.0
110.01180	1.2
116.98549	1.1
119.05230	100.0
120.01109	5.9
146.05988	2.4
158.99634	1.2
173.06328	1.4
186.81508	1.1
191.07309	25.1
207.37585	1.0
208.09718	4.8
208.13220	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	209.0921
Annotation	Kynurenine
Peak:m/z	Relative Intensity
50.69815	1.2
52.27929	1.1
53.03857	1.1
54.39321	1.2
54.70095	1.2
55.01801	1.5
55.05441	2.2
56.96497	15.6
62.98992	8.0
65.03876	2.1
67.05418	1.9
68.99687	1.9
69.06980	9.6
70.06511	14.5
70.07308	5.8
72.08062	2.7
73.30116	1.2
74.01956	2.1
74.02351	26.5
74.97515	1.2
79.05392	2.5
82.36352	1.3
82.94749	2.2
84.04425	8.6
87.40853	1.5
88.03923	1.7
91.05397	7.5
92.04931	2.9
94.06490	100.0
95.04898	1.6
95.08570	1.4
98.97477	1.8
99.00749	15.6
104.04926	10.9
104.90729	1.3
110.07112	2.5
111.00159	1.6
114.96780	1.6
118.06493	54.1
119.01821	2.1
119.05238	10.6
120.04419	44.7
120.05534	6.8
120.08057	6.2
121.08388	5.4
129.01801	6.4
132.04416	22.9
134.99577	1.8
136.07556	32.6
139.00238	2.2
146.05984	97.5
147.02869	1.8
149.01216	1.8
150.05489	20.2
155.57747	1.4
157.01250	2.4
162.95815	1.7
162.99080	2.0
164.07001	5.2
165.96680	1.3
167.96432	1.7
170.06041	1.7
174.05447	31.6
181.09633	2.4
185.97461	1.5
191.07129	2.2
192.06448	23.6
206.21129	1.5
209.09245	2.5
214.37880	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	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03878	3.0
55.01800	6.1
55.05455	12.7
56.96495	7.6
57.03370	5.0
57.35792	1.1
61.35197	1.1
63.48552	1.1
65.03864	1.8
67.05418	8.4
67.92425	2.9
69.03342	2.9
69.06985	14.7
70.06496	7.6
71.04913	17.1
72.08064	2.8
72.76614	1.3
74.66816	1.1
79.05416	53.7
81.03278	1.8
81.06984	10.3
82.94751	5.6
83.04897	13.6
84.04418	6.4
91.05412	37.0
91.61828	1.3
92.30086	1.3
93.06979	44.5
95.04893	15.7
95.08530	5.5
97.06467	9.2
99.04428	1.3
103.05391	5.3
105.06973	34.7
106.04123	1.8
107.04893	15.9
107.08545	61.9
109.06457	8.5
110.07144	1.9
111.04395	2.2
116.06173	2.4
117.06948	12.7
119.08533	10.4
120.08069	2.4
121.06464	34.3
121.10101	26.1
123.08028	5.5
123.97421	4.3
125.05959	6.5
125.09578	2.5
129.06955	5.4
130.07727	4.6
131.08536	100.0
133.06480	1.5
135.04343	2.5
135.08008	5.3
135.11662	2.8
137.05995	2.1
139.07509	2.1
145.10112	24.9
147.07982	2.7
149.05928	2.8
149.09607	53.3
153.05421	9.1
162.95880	2.8
163.11143	16.4
165.43297	1.3
166.06216	1.5
167.10660	1.9
167.23192	1.2
181.09691	4.6
181.98767	1.9
185.97438	2.2
191.00244	1.6
191.10576	13.4
199.86462	1.3
207.16354	1.3
209.11699	20.8
219.20842	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	209.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	5.4
54.81469	5.7
55.01808	8.6
59.80362	5.6
65.03880	6.5
67.05424	14.9
69.06988	8.4
69.47878	6.1
70.06499	11.8
71.04907	62.3
79.05398	33.9
81.06982	42.9
82.81528	6.5
87.99496	6.3
91.05402	30.1
92.10932	7.4
93.06995	64.1
95.04898	31.4
95.08530	26.7
99.04381	100.0
105.06990	35.6
106.04083	14.1
107.08543	48.1
109.06475	28.7
109.36959	6.5
111.08031	34.3
117.95889	6.6
119.08571	8.5
121.06501	12.9
121.10094	12.6
123.97414	7.3
133.10054	69.0
135.08026	16.2
137.09573	48.7
145.10091	7.3
149.05984	10.6
150.95657	7.5
153.09041	51.7
163.07526	9.0
163.97623	9.5
170.65657	6.5
173.13258	9.8
191.14214	10.4
191.73383	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03891	2.4
54.81422	2.6
55.01818	3.2
55.05452	19.6
56.96515	18.3
56.96733	2.1
57.03363	3.6
57.07011	11.2
59.04926	3.6
65.03884	2.6
65.73428	2.3
67.05428	13.4
69.03351	11.5
69.06995	23.3
70.06498	10.9
71.04926	18.0
79.05422	33.6
81.03333	3.0
81.06985	31.7
82.76059	3.0
82.94789	6.2
83.04905	11.0
83.08532	3.4
84.04430	5.5
91.05415	28.0
92.10101	3.7
93.06973	45.9
95.04900	25.8
95.08549	34.9
97.06474	20.4
99.04382	10.9
104.38751	2.4
105.06994	37.7
107.04904	3.4
107.08540	48.1
109.06474	14.6
109.10107	14.2
111.08028	4.3
117.06997	4.8
119.08535	15.7
121.06493	17.2
121.10104	22.9
123.08041	6.3
123.11674	9.9
123.97371	4.9
125.09569	9.9
131.08539	23.9
133.10106	100.0
135.08034	19.7
135.11658	4.8
135.96999	3.2
143.08533	3.1
145.10120	10.0
147.11702	6.5
149.05988	2.9
149.09599	18.2
149.13284	12.6
151.11169	13.6
153.09076	4.4
158.10873	4.5
163.14766	11.6
163.97693	6.0
165.12720	13.9
167.96547	3.5
173.13228	29.0
177.05482	3.8
180.90337	2.7
185.97475	5.8
191.14275	25.0
200.59386	2.6
201.48288	2.6
209.15317	16.3
226.35323	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03880	6.2
53.57810	2.9
55.01799	4.6
55.05453	96.4
56.96283	3.0
56.96505	54.9
57.03358	7.2
57.07000	2.9
59.04937	4.4
59.98477	3.1
65.03849	4.1
67.05428	24.3
67.92439	4.7
69.03337	15.6
69.06976	18.6
70.06509	6.2
71.04899	13.9
76.07643	2.9
79.05398	26.7
81.03328	5.4
81.06969	45.5
82.94747	18.4
83.04900	57.1
83.08533	28.5
85.02808	4.5
85.06452	8.2
86.09613	4.3
91.05397	29.3
91.45056	3.1
93.06979	41.2
95.04900	72.2
95.08527	18.4
97.02818	4.9
97.06463	29.9
98.97502	22.9
99.04387	5.1
101.18967	3.0
103.05395	12.9
104.33897	2.9
105.03319	22.2
105.06974	30.7
106.03659	32.6
107.08536	38.9
109.06474	100.0
109.10121	28.0
111.04411	3.4
111.08020	15.2
116.98562	20.8
117.06971	6.2
119.08546	6.9
121.06449	7.7
121.10089	42.2
123.08025	4.4
123.11618	6.5
123.97421	15.0
125.09576	6.9
126.93715	3.7
131.04907	13.7
131.08490	22.9
133.10077	38.0
134.99622	12.4
135.04378	3.8
135.08025	15.9
135.11684	4.2
136.77010	3.0
145.10089	7.4
146.99535	4.9
149.01207	5.6
149.05946	36.0
149.09584	5.8
149.13181	5.6
150.05380	3.7
150.06316	62.6
151.11134	15.4
153.09041	13.9
161.01215	4.2
162.95816	16.5
167.14304	24.4
167.96368	3.6
173.13167	12.2
177.00620	6.0
185.97382	14.0
191.06931	4.8
191.14236	17.4
209.08037	5.9
209.13614	8.0
209.15373	23.3
210.09084	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03883	6.0
53.28921	4.7
55.01799	5.2
55.05438	29.0
55.09167	4.3
56.15342	5.8
56.57283	4.4
56.96482	35.9
57.03379	4.7
57.06995	9.1
59.04911	6.8
61.35194	4.6
65.03831	7.1
67.05428	56.5
67.22983	6.3
67.72585	4.5
67.92430	8.4
69.03337	14.0
69.06978	42.9
70.06480	9.0
70.53246	4.6
71.04615	4.8
71.04903	82.0
76.56651	5.8
79.05395	45.3
81.03331	5.6
81.06967	64.6
82.94748	24.4
83.04903	52.8
85.06478	12.4
91.05410	43.0
93.06952	100.0
94.06468	6.6
95.04877	37.4
95.08524	12.9
97.06429	10.9
99.04367	79.4
99.08031	62.2
103.05323	8.2
105.06976	50.6
106.04134	7.7
107.04877	8.5
107.08549	67.3
109.06432	42.8
109.10117	85.0
111.08002	27.5
119.08520	25.6
120.08035	23.0
121.06467	25.4
121.08388	61.5
121.10070	32.0
123.07973	7.0
123.97411	12.4
124.40112	5.5
125.09568	24.3
127.07464	23.3
131.08534	43.0
132.04204	5.8
133.10117	50.3
135.08038	22.9
135.11629	8.0
139.07434	6.8
145.10057	12.2
147.11588	7.6
149.05905	12.6
149.09593	21.5
149.13170	6.5
151.11169	24.4
153.09068	34.8
162.95868	12.0
163.07527	9.3
163.11128	8.0
163.97708	13.7
173.13235	13.3
181.98677	8.6
185.97421	23.2
191.14301	12.7
209.08070	8.0
209.15289	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	211.133
Annotation	Crocinervolide
Peak:m/z	Relative Intensity
52.62430	1.3
55.01826	2.1
55.05444	2.5
56.96501	21.6
57.03362	10.0
62.58799	1.4
65.03856	3.5
67.05416	7.9
69.03337	6.6
69.06974	6.3
70.06499	9.7
71.04912	30.1
73.02853	1.6
79.05396	9.9
80.04939	1.9
81.03340	3.1
81.06969	10.1
83.04891	3.4
85.02820	3.6
87.04385	3.3
91.05407	100.0
93.06966	10.6
95.04894	23.0
95.08524	3.4
97.02796	2.3
97.06477	1.5
98.97508	3.7
99.04388	60.6
105.06972	10.7
107.08527	11.5
108.04440	3.0
109.06453	15.0
109.10088	3.4
111.04399	1.7
113.05979	2.5
116.98567	2.3
119.08534	7.3
121.02819	2.3
121.08282	1.7
123.04366	2.3
123.07980	3.4
127.03883	2.8
128.98499	2.2
133.06406	1.8
133.10112	11.5
134.99603	2.0
135.08040	18.1
136.07561	6.7
137.05954	3.5
137.09557	2.7
141.05446	2.4
146.99654	2.1
149.02293	16.5
151.11168	3.0
152.07127	1.6
153.09064	3.0
165.00620	1.9
165.08990	2.1
166.08595	9.4
169.12178	3.6
175.11079	3.0
183.06487	2.2
189.00639	1.8
193.05014	2.0
193.08669	1.9
193.12198	5.6
211.13251	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.56768	2.3
55.01796	5.6
55.05442	24.8
56.96292	2.1
56.96503	37.1
57.03364	5.5
57.06990	6.7
61.02844	3.6
65.03859	5.9
67.05421	57.3
69.03342	29.5
69.06996	31.3
70.06503	79.2
71.04892	13.6
72.04403	3.9
79.05398	27.3
81.03321	11.0
81.06977	64.0
83.04900	18.0
83.08525	2.7
84.95951	2.9
85.02807	3.5
85.06458	13.6
86.09624	49.6
91.05398	55.2
93.06965	53.9
95.04887	26.0
95.08543	35.3
97.06427	6.0
98.05981	36.2
98.97504	3.9
99.04395	6.1
99.08031	5.8
102.67129	2.6
105.06973	62.6
106.81295	2.5
107.04831	3.8
107.08533	28.4
109.06459	43.6
109.10107	33.2
111.04441	5.0
111.07954	3.6
114.09130	10.7
116.98515	4.1
119.04848	3.8
119.08563	19.2
121.06479	3.1
121.10094	5.8
123.04385	11.2
123.08010	4.4
125.09519	4.2
127.03837	4.0
131.08522	12.3
133.10088	100.0
134.99648	3.8
137.05945	5.2
137.09581	4.8
138.12785	10.7
141.05446	3.5
146.99687	4.2
147.11671	25.0
149.02316	5.9
151.07518	6.2
151.11148	41.5
153.09067	5.0
155.07010	14.1
165.12691	4.6
166.08629	3.1
168.26741	2.7
175.11093	5.3
179.06917	4.3
183.14888	3.4
193.12187	23.3
211.05977	3.7
211.12759	9.3
211.14671	45.9
211.16632	4.9
212.03590	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81764	2.8
53.08834	2.6
55.01782	3.0
55.05441	21.0
56.16237	2.8
56.50983	3.0
56.96281	3.1
56.96502	51.0
57.03355	14.3
57.07011	5.6
64.34448	3.7
64.69389	2.9
67.05430	100.0
69.03001	4.9
69.03345	88.9
69.06974	20.3
70.06502	3.4
71.04888	15.6
79.05396	28.8
81.03318	8.1
81.06984	49.8
83.04893	18.7
83.08536	4.0
84.34649	3.4
84.95950	4.7
85.02812	4.0
85.06467	34.7
91.05408	28.2
91.05869	3.4
93.06972	22.4
95.04897	7.9
95.08517	30.0
97.06448	16.7
99.04451	5.3
105.06974	21.3
107.08518	19.4
109.06473	6.4
109.10101	52.5
111.04388	4.0
111.07993	4.0
119.08525	21.3
121.10101	4.4
123.08016	6.0
123.11650	3.8
125.09615	15.1
127.03810	3.7
133.10075	17.5
135.11697	4.1
141.05392	3.3
146.99553	5.2
147.11687	4.6
149.02324	5.8
153.09117	4.1
153.12622	3.2
165.00647	4.0
166.08626	5.9
173.59322	3.3
175.14767	6.7
193.12212	5.4
211.16943	6.0
226.36765	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	212.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49184	2.0
53.03881	4.4
55.01814	2.8
55.05441	3.5
56.96507	35.9
57.03357	4.4
61.02853	15.2
65.03860	5.3
67.04149	2.6
67.05416	9.3
68.04950	2.8
69.03339	14.1
69.06964	2.8
70.94175	2.6
71.04904	4.4
73.02820	5.0
79.05420	4.2
80.04929	7.8
81.03325	13.6
81.06969	2.5
82.06474	4.7
83.04892	11.7
84.95997	2.1
85.02824	19.6
86.05983	2.9
87.04374	4.7
88.95206	3.0
91.03870	9.3
93.06965	3.8
94.06458	2.8
95.03635	17.7
95.04893	66.3
95.08530	2.3
96.05218	3.4
97.02818	11.8
98.05983	3.3
98.97514	13.0
99.04375	18.6
100.04705	4.3
106.02808	2.9
107.03632	8.5
108.04405	3.0
109.02830	4.0
109.06465	4.4
110.05233	3.6
110.05992	100.0
110.09666	2.5
111.04397	16.0
111.61581	2.2
116.98546	10.5
122.05956	28.3
123.04357	14.5
127.03905	4.6
128.98540	3.5
130.96309	2.3
134.05977	2.5
134.99605	10.3
136.07552	9.8
138.05446	16.6
138.09125	2.7
140.07031	12.1
145.04971	2.2
146.99617	8.0
148.07579	3.2
148.97314	8.0
149.04698	26.6
151.02629	15.3
152.07065	3.9
161.01256	2.6
163.05940	3.6
165.97597	3.3
166.04955	84.3
166.08595	10.0
177.00685	2.3
184.09601	3.7
188.54881	11.4
189.00696	4.5
194.04453	52.0
194.08138	3.4
212.09094	7.6
214.03859	18.1
232.04866	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	212.0918
Annotation	3-O-Methyl-L-DOPA
Peak:m/z	Relative Intensity
55.01801	1.0
56.96513	8.2
57.03374	1.8
61.02856	1.0
65.03855	10.1
68.99725	1.6
69.03357	5.1
73.02834	1.5
74.65958	1.1
79.05408	5.2
83.04981	1.2
85.02828	7.5
91.03876	1.6
91.05403	13.8
93.03341	19.3
95.04906	2.1
97.02869	2.3
98.01231	1.5
98.97508	7.7
100.90143	1.2
106.06496	26.5
107.04876	2.6
110.03619	4.3
111.00174	5.8
111.04385	48.3
116.98591	6.3
119.01764	1.5
119.04887	7.4
120.00755	2.2
121.06452	38.5
123.04365	1.2
125.05959	53.8
125.07050	7.3
127.03874	2.4
128.98579	2.2
134.03545	1.8
134.05978	41.3
135.04526	1.8
135.06786	2.4
137.05975	4.9
145.05132	1.4
146.99678	1.7
148.07568	2.6
149.05960	100.0
151.06313	2.3
151.07500	1.4
152.07050	5.8
153.05443	91.2
166.08600	78.1
177.00606	2.2
177.05481	5.6
187.94585	1.4
189.00665	2.3
194.08109	11.7
195.06429	28.4
212.09189	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	213.1121
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03871	1.6
54.59298	1.3
54.81774	1.8
55.01797	2.7
55.05456	13.3
56.83201	1.4
56.96507	11.5
57.03373	3.1
57.07001	2.7
58.61249	1.5
59.04917	2.4
61.02839	1.8
67.05421	9.2
69.03334	10.3
69.06978	9.7
70.06496	1.9
71.04887	2.2
72.93680	2.8
73.93459	1.5
79.05404	23.5
81.06963	14.7
83.04881	2.9
83.08521	6.0
85.06471	9.0
88.07558	11.9
88.95183	2.3
91.05402	23.2
93.06979	29.4
95.04886	7.2
95.08525	12.0
97.02840	3.0
97.06451	2.2
98.97512	9.2
99.04417	2.0
100.11165	7.2
105.06979	37.0
107.04877	3.8
107.08537	100.0
109.06480	15.1
109.10108	2.3
111.04448	2.3
111.08044	3.2
114.09119	13.8
116.06164	2.1
116.98558	7.9
117.07014	2.9
118.06468	2.9
119.08536	37.6
121.06451	3.1
121.10096	60.5
123.08014	12.1
125.09596	3.1
127.07478	1.8
128.10593	1.5
128.98575	2.4
130.06488	10.1
130.96303	3.8
131.08516	25.5
133.10095	6.4
134.99628	3.1
135.04347	2.0
135.08046	17.8
135.11635	3.2
135.48105	1.5
135.92433	1.7
137.05962	2.9
137.09575	3.4
139.11116	1.9
144.08043	7.0
145.13286	2.5
146.05991	2.2
146.99677	2.0
147.08037	19.2
148.97327	15.7
149.09596	51.0
151.07495	3.7
151.11154	2.0
153.05417	1.9
153.09068	8.7
159.08070	4.0
165.09061	8.7
165.97464	2.2
167.10635	8.8
167.97098	2.1
177.00790	2.1
177.09052	35.8
181.61630	1.7
185.07056	2.3
185.16391	2.6
188.07056	3.0
195.10118	8.0
213.06644	1.9
213.11191	82.5
213.13135	3.6
213.18427	1.8
215.31754	1.7
219.51016	1.8
232.05872	1.6
234.04295	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	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03889	2.4
53.82034	2.1
55.05212	2.3
55.05449	26.6
57.03362	6.1
59.94198	3.3
60.33342	2.6
67.05426	72.4
69.06977	28.5
71.04892	6.7
79.05405	40.8
81.06978	100.0
81.19301	3.2
83.08529	13.6
85.06425	4.2
88.07584	3.8
91.05404	18.0
92.75237	2.9
93.06977	46.1
95.04881	4.2
95.08535	17.0
97.06451	12.4
105.06918	5.4
107.08542	23.4
111.08021	5.2
117.06993	5.2
121.10093	4.3
131.08517	11.8
133.10101	3.9
135.11681	12.1
143.11586	3.0
149.13235	16.0
159.11707	10.9
161.93707	3.0
186.58957	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	213.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.3
54.81814	0.5
54.97289	0.5
55.05455	13.3
56.96506	6.7
57.03365	2.6
57.07002	0.7
60.05579	1.6
61.02855	0.6
67.05434	2.5
67.40240	0.6
68.96231	0.7
69.03357	2.6
69.06976	0.8
70.06505	4.0
70.94169	3.0
71.04910	0.8
72.08072	16.9
72.67218	0.6
72.93685	4.6
78.73084	0.7
79.05419	4.3
81.03314	1.3
81.06975	1.4
83.04900	100.0
85.02808	2.5
88.07554	5.2
88.95201	4.5
90.94743	4.9
91.05419	2.7
93.06963	4.1
95.04851	1.5
97.02811	1.0
97.06428	0.8
97.07574	4.2
98.05986	1.0
98.97504	2.9
99.04370	0.7
102.83679	0.7
105.06954	1.1
106.96287	1.1
107.04862	1.6
107.08527	3.8
108.95826	1.5
109.06430	0.9
110.06002	0.6
114.10247	47.3
115.08646	4.8
116.98540	2.5
119.01884	1.1
119.08519	3.2
121.02824	3.8
121.10094	3.2
123.04388	1.0
123.11595	0.6
125.05950	1.1
125.30734	0.7
127.03881	1.1
130.96271	9.9
131.08551	1.2
131.12860	0.8
134.99628	3.3
135.08083	0.7
137.05962	1.3
138.05539	1.5
140.04660	0.8
141.05447	0.9
147.07953	0.7
147.96527	1.0
148.97334	36.4
149.01224	2.9
149.09610	3.6
149.96111	2.8
153.05457	3.0
153.13834	7.1
154.12244	20.0
154.13496	0.8
165.09120	1.1
165.97595	3.3
166.04897	0.9
166.98372	3.5
167.02283	1.0
167.06972	1.3
167.10657	1.0
167.97150	5.7
171.98921	0.8
172.97624	1.3
177.00574	0.8
177.09026	1.1
189.97575	3.9
190.98697	0.8
196.14403	9.3
207.98683	3.8
213.06758	0.9
213.11194	1.0
213.17110	25.9
230.03377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.2529
Annotation	Tetradecylamine
Peak:m/z	Relative Intensity
54.27034	0.5
56.96499	1.0
57.07012	18.3
59.21781	0.6
69.33709	0.6
71.08546	6.7
71.29299	0.6
73.61594	0.6
74.90562	0.5
79.62888	0.6
80.01193	0.5
80.40978	0.5
85.10082	1.4
109.66345	0.6
137.05942	1.0
143.03995	0.6
150.96957	0.7
153.24083	0.6
167.82111	0.6
213.16409	0.6
214.10509	0.8
214.25261	100.0
227.79333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19852	0.8
53.39125	0.7
55.05436	4.5
56.96503	6.0
57.03368	1.3
57.07001	2.2
62.55339	0.7
67.05408	3.7
69.06987	0.9
70.95764	1.8
71.04875	0.9
71.08543	37.8
71.92833	0.9
72.08071	1.2
72.93705	9.4
79.05391	1.0
81.06953	1.4
82.06488	5.7
82.72436	1.0
83.04890	5.3
85.06450	5.6
86.05981	1.2
87.76624	0.9
88.11176	15.8
88.96790	1.4
90.94736	14.5
91.05380	1.0
93.06949	1.5
95.08528	5.2
97.00751	3.9
99.04411	1.7
100.07546	21.1
105.06990	1.4
107.08528	1.4
108.84357	0.9
108.95803	5.4
109.10109	1.2
110.05997	1.5
111.04344	9.2
121.00729	4.3
123.08077	1.1
126.09101	1.3
128.07013	8.5
130.94664	0.9
132.95787	21.1
134.99585	0.9
139.01788	28.7
141.01746	1.2
144.02362	1.1
149.96021	7.2
150.96855	90.4
151.97099	1.3
152.14348	1.8
156.13817	1.5
162.03378	5.9
167.97116	10.7
168.97914	7.5
170.15353	100.0
173.98407	1.6
180.11024	1.1
185.90201	1.1
191.97137	12.3
198.14850	54.7
209.98164	10.5
215.17496	1.6
216.12164	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	216.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05457	2.7
56.96495	7.9
57.03351	2.3
61.01076	2.0
62.06013	14.2
67.05434	13.6
69.03348	2.0
69.06977	3.4
70.06501	7.3
70.97453	1.6
71.04887	6.6
72.04437	2.1
72.93714	3.4
78.99683	1.8
79.05404	3.1
81.03352	2.9
81.07007	3.0
83.04905	3.2
84.08043	2.4
86.09643	2.3
95.04891	3.8
97.00746	23.3
98.97501	2.5
100.07483	2.9
105.03672	9.9
107.08591	1.8
109.10130	3.9
110.06001	3.0
111.04387	3.5
112.03670	10.6
114.09074	2.0
116.98573	2.7
121.00736	17.4
121.01447	2.0
121.27544	1.8
126.09135	13.4
132.95848	3.2
133.96143	2.5
134.99631	8.6
139.01793	100.0
139.51752	2.0
140.02171	2.2
144.02365	7.9
149.01218	2.6
150.96866	11.4
151.97000	14.7
162.03386	25.9
170.11658	3.1
191.28287	2.5
198.11186	14.1
199.08652	4.4
216.06573	44.6
216.12215	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	217.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	2.8
53.83978	2.4
54.81768	3.5
55.01820	3.4
55.05454	43.2
56.96237	4.3
56.96507	100.0
57.03367	4.2
57.07002	4.3
59.04916	3.9
67.05431	24.1
69.06979	19.7
71.08543	5.2
79.05406	7.6
79.62788	2.7
81.06963	15.7
82.28999	2.9
83.04908	32.7
83.08558	5.6
89.05959	5.0
91.05373	3.9
93.06951	5.3
93.54659	3.0
94.36340	3.0
94.89930	7.0
98.97532	33.0
101.05957	5.8
107.08544	4.0
109.10093	6.5
111.04395	32.7
112.91010	3.8
116.97161	4.2
116.98582	28.6
119.08530	3.8
127.07547	3.6
129.05472	13.0
133.10178	3.3
134.99615	37.4
135.92567	4.3
151.94032	3.9
153.00673	14.7
153.93652	25.0
155.07004	29.3
157.24615	3.4
171.03246	4.3
171.72169	3.9
171.94693	5.4
173.08083	18.3
175.02760	3.9
176.02280	3.7
185.10091	6.8
189.04298	5.0
203.05829	4.8
217.10582	16.8
217.12558	4.1
231.08963	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	217.1546
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
50.01376	0.3
53.00549	0.3
53.03882	0.4
55.05453	14.1
56.96496	1.3
57.05753	0.8
66.92271	0.3
72.08072	100.0
75.75702	0.3
77.51246	0.3
81.76030	0.3
83.04901	0.7
92.10977	0.7
98.97517	7.3
111.03719	0.4
111.04440	1.5
116.98568	8.3
118.08627	2.1
122.10860	0.4
129.05441	0.5
134.99620	5.8
135.00461	0.4
144.10231	0.5
153.00735	0.5
155.07027	0.7
158.11815	0.4
171.14850	0.5
173.08183	0.6
177.00755	1.3
195.01979	0.4
217.10789	0.4
217.15379	3.2
220.53793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00567	0.6
57.06781	0.6
57.07008	13.0
58.06533	0.7
60.61794	0.5
62.06008	0.6
68.65177	0.6
70.06146	1.2
70.06503	26.4
71.08536	10.3
85.07612	0.6
88.07549	35.7
92.10215	1.5
92.64327	0.7
102.09110	9.2
106.08602	13.7
137.07719	0.7
156.17447	0.8
170.66486	0.7
174.18500	0.9
179.42583	0.7
200.20085	10.1
218.21100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71002	21.0
53.48310	20.4
55.84590	19.6
60.24200	22.0
64.26206	23.3
64.60946	21.7
90.51012	23.6
91.44411	22.0
93.13768	25.8
93.36358	26.0
98.76299	26.7
163.02716	25.0
219.02687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1179
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
55.01831	1.4
57.07008	9.4
59.04929	7.3
62.85184	1.0
67.05434	9.6
69.06982	7.0
70.02878	15.2
72.04428	25.9
73.02828	6.4
74.02345	1.2
77.62520	1.1
83.04881	1.6
85.06459	15.5
90.05482	100.0
95.04906	12.7
96.08057	4.9
98.02353	20.0
100.03944	2.5
103.07525	7.0
113.05958	1.9
116.03410	14.8
124.07561	30.6
142.08591	8.3
160.09659	1.3
170.48114	1.1
176.78134	1.0
184.09666	14.4
202.10716	21.4
220.11746	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	220.1179
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
55.01786	1.3
55.05443	1.4
57.07000	7.2
57.42138	1.1
59.04918	7.4
65.03853	1.1
67.05429	8.1
69.06968	5.7
70.02868	10.7
72.04427	21.2
73.02824	4.6
74.02342	2.0
78.49316	1.1
83.04910	1.1
85.06465	13.6
87.07997	1.1
90.05480	100.0
95.04910	8.8
96.08041	1.7
98.02348	20.4
100.03936	1.3
103.07507	8.9
104.45295	1.3
112.07529	1.5
113.05960	2.4
116.03413	12.4
124.07542	26.0
132.04353	1.2
141.02348	1.2
142.08577	7.4
160.09712	1.4
182.31372	1.3
184.09656	14.3
202.10701	18.8
220.11777	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44518	0.3
56.04988	0.3
56.96496	0.4
57.07024	0.4
60.18902	0.4
72.08055	0.9
76.34141	0.3
77.15698	0.4
84.08062	0.6
85.02823	0.4
97.02817	0.5
98.97501	0.9
100.02395	1.0
101.00801	4.5
105.94753	0.4
110.07119	0.7
116.98544	1.9
118.03451	1.0
119.01874	100.0
134.99593	1.8
137.02928	88.0
142.03485	1.9
160.04494	0.8
161.02913	12.5
175.02722	0.7
179.03969	39.8
192.41110	0.4
197.99016	0.6
202.05556	1.0
203.04088	0.6
221.04910	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	221.0918
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
50.54100	0.5
53.20839	0.6
72.04010	0.8
73.75691	0.7
79.71038	0.9
82.02855	3.9
94.06492	4.8
100.24615	0.7
104.04907	0.9
115.05397	0.8
120.76272	0.6
125.08971	0.8
130.06490	70.2
131.06873	0.9
132.04411	55.6
134.85602	0.9
157.07594	36.3
158.05977	100.0
175.08627	70.9
175.09894	1.3
176.08972	1.2
191.22528	0.9
204.06546	1.4
221.09206	16.1
239.64764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.05479	0.6
65.94154	0.5
68.61042	0.6
69.98402	0.5
72.04401	0.5
74.02364	0.6
76.18419	0.5
79.32216	0.5
82.02856	3.0
83.58716	0.6
90.05441	0.6
90.18961	0.6
94.06498	4.1
100.02111	2.2
103.05408	0.6
104.04933	0.8
104.10682	5.8
115.05417	0.7
120.08034	1.0
130.06496	100.0
132.04420	61.1
132.05449	1.4
142.06462	0.6
148.07553	3.6
156.06848	0.7
157.06281	1.1
157.07588	35.7
158.05991	90.5
175.08632	54.7
176.07028	1.1
185.07014	0.6
186.05559	0.8
203.08084	2.4
204.06554	2.3
221.09163	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	221.092
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
56.47657	0.5
58.02283	0.6
59.49031	0.6
79.75311	0.7
82.02852	1.3
90.05460	1.6
94.06495	4.0
98.97498	1.1
104.04923	1.0
111.72394	0.7
115.05471	0.7
124.21451	0.7
130.06496	100.0
132.04416	52.8
140.04790	0.9
148.07593	1.7
156.06786	0.8
157.07585	62.1
158.05981	76.2
159.06268	0.8
175.08635	40.5
185.07013	1.2
189.69067	0.7
203.08105	21.9
204.06490	1.3
221.09180	4.1
221.11983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	1.8
55.01819	1.4
55.05456	15.4
56.96239	1.4
56.96504	30.0
57.03375	1.9
57.07003	1.3
61.02871	1.4
67.05418	9.6
69.03353	7.0
69.06987	5.6
71.95200	1.9
73.02805	2.1
79.05411	6.9
80.41376	1.2
81.03346	1.6
81.06972	12.7
83.04897	7.9
85.02818	2.8
90.01489	2.5
91.05388	15.4
92.01157	1.2
93.06967	12.2
95.04894	7.9
95.08539	13.3
96.01486	1.2
97.00406	1.3
97.02840	6.0
97.10115	1.2
98.01251	1.8
98.97516	62.1
99.02016	1.4
102.96873	1.3
103.05375	1.9
104.10684	5.7
105.06951	9.4
107.01771	1.7
107.08534	9.0
109.06481	2.1
110.01231	3.0
111.04408	1.6
116.98575	74.8
119.01773	5.6
119.04866	2.3
119.08545	9.0
121.06474	9.6
123.08024	18.4
128.02277	12.6
130.06497	2.1
131.08545	1.4
132.04517	1.4
133.06427	1.4
133.10034	4.0
134.99631	100.0
137.02835	12.5
138.99016	1.5
140.00154	1.5
142.07816	1.6
146.99620	2.6
147.04408	1.6
147.08096	2.0
147.11678	6.4
148.53598	1.3
151.07547	7.6
153.00677	28.4
158.01234	16.8
158.05911	1.5
161.01198	2.0
161.05981	1.5
167.07031	7.5
175.11151	7.7
176.02269	4.6
177.00703	6.5
189.05888	1.7
193.12120	1.6
203.02258	1.6
216.46355	1.2
221.11578	2.0
238.16466	1.2
244.22456	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	221.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06533	0.6
59.07310	0.1
60.08096	4.2
60.29291	0.1
62.93670	0.1
75.98038	0.1
92.10956	0.1
93.32713	0.1
104.10681	100.0
105.11055	0.1
126.28966	0.1
162.86053	0.1
168.96790	0.1
180.49303	0.1
204.41064	0.1
238.88387	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0761
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
55.05452	2.2
56.96504	10.2
57.03361	0.4
60.10107	0.3
64.83110	0.4
67.05432	0.8
69.03368	0.5
69.06979	0.4
71.04906	0.6
71.15614	0.3
71.95190	0.5
76.56526	0.3
79.05419	0.4
81.06968	0.9
83.08539	0.7
85.02838	0.4
85.06452	0.5
91.05381	0.6
93.06964	0.4
93.63912	0.3
97.02822	0.5
97.06451	0.4
98.97513	43.2
102.96844	0.6
103.05431	0.6
104.10657	0.5
106.06447	0.4
109.10103	0.4
114.38229	0.4
116.98573	62.1
118.06492	0.5
120.08058	13.8
120.08917	0.6
120.59896	0.3
120.97870	1.9
121.06522	0.4
121.10108	0.5
130.06497	100.0
131.06905	0.4
131.08499	0.4
132.04420	17.7
134.99628	72.6
138.98907	2.4
140.00182	1.5
146.05980	0.5
146.99667	0.5
148.07561	25.2
153.00693	20.2
153.01939	0.5
157.00053	0.4
158.01241	12.0
158.05986	29.0
158.99684	0.5
176.02292	3.5
176.07039	41.1
177.00684	1.7
191.05803	0.6
204.06499	0.7
207.74515	0.4
222.07568	4.8
222.14590	0.4
237.44514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82673	0.5
56.96504	6.7
57.07012	10.4
60.95767	3.7
65.03843	2.7
70.25422	0.7
75.01755	0.7
76.61436	0.6
93.03310	1.2
98.96887	1.2
98.97514	25.2
99.97858	6.2
111.04392	0.8
116.98571	34.7
116.99395	1.4
117.98909	10.5
121.02822	10.8
123.60100	0.6
134.24934	0.6
134.99626	43.2
135.99979	12.2
136.99161	0.6
140.00192	1.4
143.28639	0.7
149.02321	100.0
153.00700	13.2
154.01004	3.9
154.37376	0.6
158.01236	6.2
159.01567	4.6
163.86833	0.7
167.03375	2.9
176.02299	2.4
177.02515	0.8
182.03217	0.6
188.35133	0.8
201.30504	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1078
Annotation	Phe Gly
Peak:m/z	Relative Intensity
56.96494	1.3
63.26944	0.3
69.03339	0.3
76.56098	0.3
79.05433	0.3
81.03351	0.3
84.95992	0.4
86.95920	0.3
88.40603	0.3
91.05433	0.3
93.06963	1.2
98.97515	1.4
103.05411	3.9
107.04899	1.5
114.36420	0.3
116.98538	1.5
120.08060	100.0
121.08421	0.4
131.04909	2.5
137.84016	0.3
140.98717	0.3
149.05986	0.6
166.08601	15.7
177.00648	0.7
177.10184	3.8
191.05742	0.5
191.50366	0.3
223.10733	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	223.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00234	1.7
53.03896	7.8
53.36400	1.0
55.01805	6.0
55.05453	80.5
56.05780	3.4
56.96504	55.0
57.03375	9.2
57.07005	1.8
57.50930	0.8
59.04931	1.7
61.02853	9.7
64.33403	0.9
66.52370	0.8
67.05423	10.5
69.03345	21.4
69.06979	5.1
70.03680	1.2
71.04896	5.4
71.95183	1.3
73.02836	12.0
74.97516	2.3
79.05415	15.0
80.04916	2.2
81.03350	10.4
81.06981	32.4
83.04893	13.2
83.08539	50.2
84.08849	4.0
84.95937	5.2
85.02826	20.5
85.06467	2.3
85.48607	0.9
85.95818	0.9
87.04390	3.6
90.01462	3.6
91.03914	1.5
91.05398	29.5
93.06973	69.1
94.07338	1.1
95.04898	22.4
95.08525	1.9
96.01504	1.3
97.02829	21.7
97.06435	1.6
98.01200	5.5
98.97512	100.0
99.02007	3.7
99.08023	1.2
99.59735	1.0
99.97855	4.8
103.05378	1.7
104.01210	1.0
105.04443	2.0
105.06956	6.3
106.00929	1.1
107.04916	1.6
107.08529	6.4
109.02830	5.4
109.06468	16.4
109.10075	1.5
110.01221	5.7
110.97514	2.1
111.08044	2.1
114.04408	1.7
116.98573	96.5
117.06949	3.7
117.98898	6.3
119.01739	7.1
119.08507	5.2
120.08057	1.3
121.06456	50.1
121.08334	1.6
121.10104	2.3
123.08037	1.2
127.03875	6.2
127.07525	12.1
128.02280	21.1
128.52412	1.1
128.98537	9.7
129.07010	1.6
130.06520	6.9
131.05914	1.5
131.06834	30.4
131.08514	4.0
132.04387	1.3
133.04750	4.9
133.10077	1.5
134.99625	75.2
135.08034	1.9
135.99968	7.4
137.02811	13.0
139.05130	1.8
139.07549	1.2
140.00162	2.3
140.98561	1.1
143.00160	1.5
145.01758	1.5
145.10080	5.3
146.99629	13.0
147.03285	8.1
148.07571	1.3
149.01205	1.6
149.02316	7.5
149.07910	4.1
149.09601	6.3
151.88129	1.0
152.04099	1.6
153.00668	14.0
154.01074	1.2
158.01187	4.1
158.06073	1.0
158.99631	35.5
159.05083	0.9
159.06300	7.1
159.11685	6.6
160.00047	1.0
161.01166	6.5
161.04700	1.8
161.09621	1.2
163.11157	1.9
164.03387	1.1
165.00677	1.3
165.04277	1.7
168.05391	9.1
173.01234	1.7
173.04683	8.5
175.02740	4.7
175.06352	9.5
175.11163	1.6
175.88652	1.0
176.02242	1.3
176.06987	1.3
177.00673	72.3
177.05876	11.9
177.07365	10.9
177.12639	1.9
177.56033	1.7
178.01051	2.3
179.10661	1.7
181.02849	1.4
182.05162	18.6
187.11250	1.8
189.00708	2.2
191.05725	80.8
191.55812	10.0
193.03796	5.9
193.07475	6.0
195.01715	9.4
200.02238	2.4
201.00685	1.6
201.04347	4.3
202.56467	4.4
205.12221	4.0
209.06989	8.9
219.01756	7.1
219.05382	5.7
223.05869	4.0
223.09363	6.0
223.13380	7.2
237.02765	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	223.133
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03886	2.1
55.01831	2.4
55.05446	15.9
56.96505	45.1
57.03379	3.9
57.07017	2.0
59.04933	3.1
67.05420	20.9
67.25172	1.8
69.03346	9.9
69.07000	13.0
71.04905	4.4
73.02818	2.2
79.05410	14.9
81.03314	6.9
81.06977	25.4
82.47184	2.0
83.04903	11.2
84.08096	2.0
84.95972	4.3
85.02827	4.5
85.06479	2.1
91.05421	23.9
92.10313	4.4
93.06977	66.1
95.04924	13.4
95.08542	30.8
97.06454	4.2
98.97516	79.9
99.04388	7.3
99.97858	11.4
101.04201	2.7
105.06982	9.0
107.04870	3.1
107.08546	38.6
109.06480	12.7
109.10108	14.7
111.04375	2.8
111.08035	10.9
115.05389	2.0
116.98568	89.3
117.06938	4.5
117.98895	18.9
119.08537	20.1
120.08054	1.9
121.02826	9.7
121.06477	16.5
121.10094	14.7
123.08054	4.2
125.09586	2.7
128.02225	2.3
128.98573	2.7
129.06981	2.4
131.08560	3.9
133.10100	7.8
134.99626	100.0
135.02637	3.6
135.08020	10.5
135.11676	30.0
135.99959	25.3
137.02812	2.0
137.09612	43.2
139.07515	18.1
147.08008	2.6
149.01273	2.6
149.02351	10.4
149.05998	3.3
149.09590	2.0
149.13290	4.7
153.00684	30.8
154.01006	3.0
158.01239	11.7
158.99677	8.1
159.01590	7.8
159.11674	13.2
163.07515	2.8
163.11188	10.1
165.09042	3.3
169.27567	1.7
176.02206	4.1
177.00688	19.2
177.02432	2.4
177.05537	2.6
177.12711	32.7
181.08588	8.1
195.01712	4.1
195.13773	10.7
205.12219	11.5
223.06073	4.1
223.13107	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	223.133
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.00227	1.0
53.03880	4.6
55.01810	2.0
55.05455	17.6
56.96283	1.0
56.96508	21.9
57.03373	2.8
57.07013	2.3
59.04939	15.4
60.93040	1.2
63.48518	1.0
67.05426	21.7
67.31078	1.2
69.03358	10.9
69.06976	7.5
71.04882	4.3
71.95166	1.2
73.57387	1.0
79.05412	11.1
81.03339	1.7
81.06973	14.3
83.04900	62.9
83.08500	4.8
84.95953	1.9
85.02824	2.7
91.05402	29.5
92.10676	1.4
93.06972	100.0
95.04905	16.6
95.08539	43.5
97.02805	2.3
97.06469	16.5
98.97514	31.6
99.04351	1.7
99.08041	1.6
99.97860	8.0
101.74419	1.1
105.06367	1.3
105.06974	13.4
107.04911	2.5
107.07863	2.0
107.08542	35.2
107.09208	1.4
109.06490	9.4
109.10110	10.7
111.04402	1.5
111.08026	65.8
116.98564	45.7
117.06966	6.4
117.98891	10.9
119.08535	25.6
121.06451	43.9
121.10113	15.4
123.08061	12.9
123.08813	1.7
125.05850	1.3
129.06979	1.7
130.07759	1.8
131.08543	5.9
133.10098	5.8
134.99620	56.7
135.08060	13.2
135.11653	36.3
135.97006	1.5
135.99971	14.4
137.09593	41.4
139.07503	20.2
143.08528	2.0
144.09271	4.9
145.10110	7.8
147.08055	9.3
149.01152	2.0
149.02304	5.9
149.05951	2.1
149.13226	6.8
150.12814	1.1
152.08235	1.2
153.00703	15.3
154.01007	5.7
158.01221	6.4
158.99611	2.1
159.01576	5.0
159.08012	1.7
159.11647	19.1
163.07442	2.2
163.11150	14.0
165.09061	13.8
167.06987	1.8
172.08818	7.9
173.01253	1.3
176.02332	1.8
177.00664	7.1
177.12741	24.4
180.44685	1.4
181.08524	6.2
181.12210	14.2
187.11147	10.7
195.13736	11.0
205.12202	22.1
223.05951	2.5
223.13216	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	1.5
56.96499	10.1
57.07005	1.7
59.04903	1.1
62.49143	1.0
65.03871	2.5
67.05417	2.0
69.03341	1.6
69.06986	2.1
76.06618	1.1
77.03840	1.4
79.05405	1.9
80.04921	1.1
81.03333	4.3
81.06979	2.7
84.08065	16.1
85.02837	2.3
86.09638	2.6
89.03841	1.7
91.05405	99.7
93.06976	1.5
95.04871	4.3
95.08535	1.8
98.97519	7.2
103.05429	2.3
104.10690	16.8
105.03330	2.2
105.06940	1.1
107.04889	1.2
108.04388	1.9
110.06006	1.3
116.98576	7.4
117.05720	2.5
117.12226	1.2
118.04099	1.7
119.01884	8.9
119.04894	100.0
121.02824	5.6
128.29547	1.1
129.03325	1.5
129.10141	1.2
130.06506	2.7
130.08609	1.8
132.02057	7.0
132.08058	7.5
134.99614	6.0
135.04390	1.9
136.05133	2.1
136.99217	1.6
137.00130	1.3
137.02933	9.2
137.34668	1.1
142.03445	2.5
145.02759	2.6
146.03561	1.7
147.04381	85.9
149.02304	6.0
157.03975	6.0
158.62515	1.0
159.09203	2.0
164.04616	5.4
164.07008	2.1
164.10616	1.5
165.05414	7.3
170.06029	6.6
175.03871	87.8
177.00586	1.6
178.08627	1.5
179.03995	2.4
179.06932	10.7
188.07106	1.3
192.04141	7.0
201.00632	2.2
201.04367	1.6
207.06500	77.8
224.09138	4.6
224.12785	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02324	0.8
62.54528	0.9
64.43546	0.8
65.03853	3.8
68.57637	0.7
89.03835	2.1
91.05405	85.0
95.04910	2.1
103.05393	1.4
115.09485	0.9
118.04083	3.7
119.04897	100.0
121.02724	1.3
131.04843	1.3
132.02069	7.3
135.04364	1.3
136.05161	4.3
139.49359	0.9
145.02806	1.6
147.04382	85.0
149.02296	7.0
157.02884	0.9
157.03911	7.8
164.04681	7.3
175.03868	93.7
177.01753	1.5
178.33177	1.0
179.06979	10.0
192.04144	9.7
207.06491	85.3
224.09238	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	224.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01792	0.8
55.86183	0.5
56.96503	7.5
57.03357	0.9
58.06512	2.3
67.24203	0.5
70.06503	0.6
77.58644	0.5
79.05372	0.7
79.30684	0.6
81.03312	0.6
83.47520	0.5
84.04415	0.9
84.08050	2.1
84.95948	0.8
85.02802	1.1
87.18294	0.6
87.91305	0.5
91.05378	1.1
93.03338	0.9
94.91364	0.5
95.04856	1.3
97.02866	0.9
98.97516	1.2
99.04388	0.9
102.97028	0.6
102.97989	0.5
103.05368	0.6
108.04445	0.8
109.28206	0.6
111.04367	1.4
116.98595	1.3
119.01869	15.0
119.04817	1.7
120.08049	6.0
121.02814	72.1
121.07709	0.8
121.08401	12.6
122.03118	0.6
123.47826	0.5
127.03825	0.7
130.61302	0.5
132.07991	0.8
134.53624	0.6
134.99612	0.8
137.02127	0.7
137.02945	11.6
142.03456	5.7
143.03314	2.2
147.04396	0.7
149.01152	0.7
158.97641	0.6
160.04520	2.4
160.07480	0.6
161.01056	0.6
161.02931	1.2
161.05910	0.6
163.03957	0.9
164.03484	0.5
165.05435	100.0
166.08627	0.6
167.08940	1.2
173.01077	0.9
175.03891	6.2
177.00659	0.7
177.05585	0.6
178.10593	0.6
179.03957	4.5
182.99577	1.2
201.00635	9.5
207.06480	0.9
209.07156	0.6
219.01689	3.7
224.09193	5.9
224.12752	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	225.072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81694	0.2
60.98798	0.2
64.75295	0.2
68.21214	0.2
71.23980	0.2
72.08017	0.2
76.56213	0.2
82.99743	0.4
100.02422	0.3
101.00813	9.0
119.01881	100.0
120.01938	0.2
124.02428	1.0
130.91656	0.2
137.02937	53.4
138.03024	0.3
142.03482	29.1
160.04533	15.5
161.02928	6.8
165.05075	0.4
179.03984	23.8
184.03091	0.2
184.04573	1.3
202.05658	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	225.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53006	0.5
54.03101	0.5
54.81726	0.8
55.05448	1.6
56.04972	0.9
56.96510	6.5
57.03394	0.9
57.07014	13.3
62.16441	0.6
63.77544	0.5
64.33476	0.8
65.03882	0.6
67.05414	1.5
68.04942	1.2
69.03351	1.0
69.07001	1.0
71.04888	0.6
71.08540	4.2
73.02823	0.8
77.68836	0.6
79.05389	0.8
80.04928	3.4
81.03324	1.2
81.06973	1.2
82.06479	1.0
83.04901	2.7
84.04419	1.5
84.08068	23.1
84.95971	1.1
85.02814	1.0
85.10088	1.3
86.09660	0.6
88.52917	0.7
91.05404	4.2
93.06963	1.4
95.04879	1.0
95.87275	0.7
97.02821	1.4
97.06470	0.6
98.97495	1.2
99.48461	0.6
101.00818	3.9
101.94962	4.0
105.06978	2.9
106.06487	2.7
107.08556	0.7
109.02830	1.1
111.04388	1.2
111.24526	0.6
116.98564	2.8
117.06938	1.1
117.63507	0.6
119.01875	62.2
119.04867	0.9
119.08526	1.0
119.96014	3.1
120.02039	1.4
120.08103	1.4
120.97838	0.9
121.10107	1.5
124.03862	0.6
127.03866	1.2
129.37445	0.6
130.08658	2.3
133.10106	0.8
134.09625	100.0
134.99649	1.0
135.09975	1.1
136.07455	0.6
137.02933	49.3
137.97069	3.9
138.03056	1.5
142.03481	22.7
147.04422	1.3
149.09612	1.2
153.00681	0.9
155.98122	1.2
160.04533	12.1
161.02913	5.8
161.10710	38.2
163.11093	1.0
179.03957	17.9
179.11765	1.5
181.04924	1.2
184.04549	0.8
197.12791	5.1
199.38091	0.7
202.05611	1.0
225.07501	1.2
225.10532	0.9
225.12440	2.7
234.21794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	Grasshopper ketone
Peak:m/z	Relative Intensity
55.84554	4.5
57.07014	11.5
67.05428	4.7
69.06963	5.0
71.04910	12.0
77.48544	4.7
79.05399	10.2
81.06970	24.7
83.04919	10.4
91.05397	10.6
93.06972	24.5
95.08542	28.0
99.04375	6.1
105.06979	29.8
107.08564	9.3
109.06480	10.7
109.10107	8.6
119.01868	27.9
119.08526	25.2
121.10087	28.0
123.08033	26.1
131.33961	5.2
137.02936	24.6
137.09561	9.4
141.09102	8.6
147.11685	11.9
149.09601	100.0
151.07458	10.6
156.09303	7.1
166.74168	5.6
189.12750	24.9
205.58926	6.5
207.13776	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.67865	2.8
53.00258	2.9
53.03878	3.1
55.01810	3.9
55.05447	12.9
57.07013	6.1
59.04942	6.4
61.02856	63.8
65.05668	2.4
67.05430	38.7
67.57974	2.3
68.02433	2.5
69.03346	45.4
69.06982	41.7
71.04915	24.9
71.08553	3.7
71.97810	2.8
76.13244	2.3
79.05407	34.2
81.03333	5.4
81.06976	69.5
82.43542	2.6
83.04891	15.1
83.08514	6.6
85.06456	3.0
87.04394	7.0
88.24308	2.5
91.05410	42.1
93.06965	66.4
95.04879	22.6
95.08524	45.2
97.06460	13.1
101.94963	4.5
103.05423	4.5
105.06973	100.0
107.04910	5.8
107.08557	41.5
109.06466	69.1
109.10147	21.0
111.08026	4.8
115.07512	14.7
117.06960	5.4
119.01888	26.1
119.08535	78.3
121.06451	17.7
121.10101	51.0
122.07261	4.8
123.04416	5.0
123.08010	26.0
123.11624	6.3
126.27557	3.0
129.06900	5.1
130.07796	4.2
131.08524	13.1
133.06459	14.0
133.10100	46.8
135.08041	11.6
135.11627	6.8
137.02913	16.3
137.09605	59.7
142.03453	4.9
143.08540	6.2
145.10120	12.0
147.04340	2.9
147.08032	10.4
147.11658	60.9
149.09592	57.7
151.07541	22.6
151.11140	44.7
156.09341	21.1
159.08044	11.7
159.11652	12.0
160.04489	3.1
161.09610	10.7
161.13264	24.4
163.11066	9.7
165.12750	18.1
171.11668	15.6
174.10310	26.5
177.12749	6.2
179.04004	5.4
189.06602	3.4
189.12714	32.3
207.13791	26.0
225.14806	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	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.01805	10.0
55.05452	14.4
56.96496	12.2
57.03370	2.3
57.07018	24.5
57.75943	2.1
59.83167	2.4
61.14645	2.3
65.03862	2.4
67.05430	35.7
69.03352	9.2
69.06979	21.6
71.04912	25.9
71.08550	9.7
72.08089	2.7
76.33167	2.4
79.05407	23.6
81.03323	3.8
81.06979	54.3
82.99813	2.2
83.04908	13.9
83.08565	2.4
85.02334	4.7
85.02827	98.4
91.05408	59.8
93.06981	28.2
95.04907	40.7
95.08533	27.7
97.02838	2.6
97.06476	15.3
98.97530	5.4
99.04381	13.3
101.00798	3.4
101.94979	5.7
105.03321	2.7
105.06972	43.3
107.04927	3.6
107.08547	22.4
109.06488	16.9
109.10106	21.1
111.04382	4.0
111.08069	3.3
114.10236	8.8
115.07545	5.6
117.07001	3.6
119.01030	3.4
119.01883	100.0
119.04876	3.0
119.08534	31.5
119.95992	7.9
120.97833	2.5
121.06493	2.9
121.10121	22.0
123.08028	20.7
123.11660	50.9
125.05912	13.3
125.09573	2.7
131.08548	9.6
133.06494	3.6
133.10089	15.9
134.99580	2.6
135.07964	2.4
137.02937	66.9
137.09599	20.2
137.97107	3.6
141.09081	3.3
142.03502	27.5
143.01817	3.0
143.08525	4.3
145.10085	4.5
147.04289	4.8
147.08047	8.7
147.11678	13.0
149.09579	34.5
151.07565	4.2
151.11166	12.2
156.09296	4.7
158.47939	2.2
159.07941	2.5
159.11693	2.4
160.04517	18.8
161.02924	15.0
161.09653	3.0
161.13255	9.5
163.11110	9.0
163.47415	2.4
166.12238	9.1
171.11650	2.9
174.10342	3.4
175.03957	3.8
179.03990	24.4
181.12292	2.7
189.12657	16.5
192.04071	2.7
207.06584	9.6
207.13750	17.5
225.14786	21.1
225.17075	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	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05440	3.1
57.07011	5.3
61.02862	0.8
67.05424	7.3
67.39617	0.5
69.03352	5.7
69.06976	3.3
71.04905	1.2
71.08515	0.5
79.05414	6.1
81.06979	24.8
82.92790	0.6
83.04895	3.2
83.08527	0.8
85.02830	100.0
90.57767	0.6
91.05406	6.6
93.06966	6.8
95.04867	1.5
95.08512	9.0
97.06454	1.4
99.04391	1.0
101.94942	1.5
105.06978	8.8
107.08535	6.8
109.06471	3.5
109.10114	10.2
111.04437	0.8
119.01875	10.3
119.08550	6.6
119.95972	0.6
121.06461	2.6
121.10100	10.9
122.07290	0.9
123.08047	4.5
123.11662	58.5
125.05959	4.7
131.08586	0.8
133.10078	1.3
137.02927	5.4
137.09595	5.0
141.05348	0.8
142.03488	3.2
145.10085	3.0
147.08028	3.0
147.11670	4.9
149.09618	6.1
151.03870	3.4
151.07521	1.3
151.11142	3.4
156.09323	1.2
159.07968	0.7
160.04526	1.5
161.09590	0.8
161.13232	1.0
163.11127	2.5
165.12663	1.1
169.08455	0.7
179.03957	3.6
189.12711	3.4
207.06587	1.4
207.13771	12.6
225.14748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.53530	2.2
55.05458	4.6
57.07006	12.6
60.95364	2.1
67.05424	17.4
69.03330	5.3
69.06994	3.8
71.04913	23.6
71.08537	2.7
78.65034	2.2
79.05419	12.0
81.06986	12.6
83.04894	3.0
87.04411	3.7
91.05416	21.0
93.06969	31.1
94.52254	2.4
95.04898	5.3
95.08533	12.1
97.06498	3.0
99.04368	4.1
102.96796	2.4
105.06983	33.3
107.08550	16.6
109.06457	12.1
109.10109	25.6
111.04354	4.8
111.08066	2.9
119.01864	43.6
119.08550	18.0
121.06499	3.8
121.10100	47.9
123.08015	15.8
127.70213	2.6
131.08516	4.1
133.10112	5.4
137.02917	29.1
137.09586	22.8
138.98924	2.9
139.11151	3.4
142.03488	5.5
147.04359	3.4
147.11665	11.6
149.09596	100.0
151.03864	17.2
156.09277	3.6
160.04515	3.4
161.09590	6.1
161.13136	8.6
165.12752	4.3
165.42787	3.0
179.03926	4.8
189.12753	14.4
207.13759	6.3
225.14868	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	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.32525	1.8
50.74506	1.6
55.01801	3.0
55.05447	12.2
56.96495	5.6
57.03357	5.4
57.07014	20.6
59.04917	3.2
65.03854	2.8
67.05418	28.1
69.03345	5.1
69.06986	22.7
71.04900	17.2
71.08502	2.5
79.05408	18.0
81.03323	2.6
81.06975	51.5
83.04897	13.0
85.02823	100.0
85.06468	2.9
87.04372	2.4
91.05407	50.7
93.06975	23.8
95.04882	25.3
95.08524	28.5
97.06465	5.1
98.97553	3.1
99.04392	5.5
101.00797	2.8
101.94994	5.9
105.06965	33.5
107.08549	19.4
109.06468	16.2
109.10065	18.2
111.08014	4.3
114.10249	5.9
115.07515	3.2
116.98553	3.8
117.06949	3.2
119.01868	68.6
119.04862	4.3
119.08519	25.1
119.95999	2.8
121.06447	3.3
121.10099	20.7
123.08032	10.7
123.11649	52.6
125.05943	12.7
125.21246	3.9
131.08524	10.3
133.10080	5.3
134.99571	3.6
135.07962	3.2
137.02925	50.7
137.09586	13.7
137.97154	3.0
141.09019	2.6
142.03494	20.9
146.07230	2.5
147.04417	3.0
147.08035	5.6
147.11700	4.7
149.09602	33.0
156.09198	2.3
160.04515	11.4
161.02951	17.0
161.09534	3.1
161.13187	6.1
163.11230	3.4
166.12257	9.8
171.11670	3.2
174.10335	5.3
179.04008	12.1
188.67964	2.5
189.12692	12.6
192.04149	3.7
202.74159	2.8
207.06480	4.1
207.13795	11.7
217.53407	2.6
225.14894	10.7
225.17046	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03859	1.5
53.21924	1.6
55.01804	2.4
55.05442	8.6
56.96495	2.6
57.07000	9.3
59.04934	2.0
61.02858	100.0
61.03172	3.8
65.03874	1.9
67.05425	18.3
69.03343	20.1
69.06992	18.6
71.04915	16.2
71.08541	3.3
79.05400	17.1
81.03324	4.0
81.06965	33.5
83.04887	11.5
83.08498	2.2
85.02823	2.1
91.05412	24.0
93.06979	26.2
95.04899	15.7
95.08522	24.8
97.06471	6.6
101.00863	2.8
101.94949	3.6
105.06979	48.9
107.04888	3.2
107.08536	25.2
109.06471	37.1
109.10095	10.9
111.08029	2.1
114.09081	2.5
115.07514	3.6
117.06939	7.5
119.01880	32.8
119.04918	2.8
119.08534	41.4
119.96024	3.1
121.06430	10.1
121.10108	26.8
123.08015	26.2
123.11646	16.3
131.08525	6.9
133.06461	4.2
133.10095	13.9
135.08012	8.1
135.11664	4.1
137.02930	25.4
137.09605	25.9
137.13182	2.4
137.97064	2.8
142.03473	7.0
145.10126	8.3
147.08032	8.1
147.11667	33.6
149.09576	23.2
151.07530	12.8
151.11156	20.5
156.09296	4.3
159.08049	2.8
159.11696	2.2
160.04527	4.3
160.08739	2.4
161.02943	2.9
161.09593	9.2
161.13203	9.4
163.11110	7.7
165.12720	35.1
171.11668	8.5
174.10347	8.1
177.12717	3.4
179.03966	9.6
189.12697	14.1
207.13733	13.7
225.14793	71.4
231.87563	1.9
246.98376	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	226.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96497	0.6
57.07000	0.7
58.02876	0.3
60.95773	0.4
65.03858	0.6
70.06507	1.4
74.27399	0.2
91.05402	100.0
101.94962	0.3
102.96802	3.3
115.98529	0.3
119.01880	0.4
120.01981	1.1
120.97854	5.2
138.03055	0.5
138.98914	5.7
148.07491	2.2
155.98201	0.3
156.99991	1.4
161.25900	0.3
162.00548	1.5
165.07021	0.4
166.07732	0.6
180.01653	0.4
181.10074	3.6
209.09227	0.4
226.12227	4.9
226.15906	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96594	4.9
54.81345	6.5
57.03822	5.0
65.73758	5.3
96.00544	12.6
99.54621	5.7
119.73315	5.8
128.66191	6.5
149.74518	6.1
158.11713	5.8
173.92311	5.3
182.05785	9.6
202.21140	6.1
210.05247	27.8
227.07910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	0.6
54.63897	0.5
54.81614	0.4
55.01808	5.5
55.05450	0.8
56.96500	0.7
65.03863	11.3
67.05431	4.6
69.03358	1.0
69.06955	0.5
73.02421	1.1
73.02833	29.8
75.60415	0.5
79.05427	2.5
79.07817	0.5
82.04117	4.1
85.02833	7.4
85.06454	0.6
91.05405	3.5
92.10296	0.8
93.03341	2.1
93.06973	3.2
94.31483	0.5
94.54450	0.5
95.04896	7.5
97.02812	0.6
97.06506	3.9
100.11182	3.0
103.50633	0.5
107.04890	0.7
107.08541	1.3
108.02063	1.1
109.06496	1.0
110.03608	5.2
111.04396	3.7
112.59824	0.5
118.99763	0.6
119.04841	0.6
121.01624	1.0
121.06460	3.4
123.00779	0.7
123.04407	5.7
125.02297	3.2
125.05960	3.3
133.50609	0.5
138.03087	2.8
139.01692	0.5
139.02704	0.6
140.04660	50.9
142.02603	2.5
144.03293	0.6
147.04408	1.1
149.05923	0.9
153.05467	2.4
155.07008	25.4
161.89708	0.7
166.06308	0.7
171.06512	12.9
173.08055	3.8
179.07028	3.0
181.04926	100.0
181.08469	2.6
182.05289	1.1
191.40796	0.6
209.08083	9.2
220.27466	0.6
227.09135	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	227.1275
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
54.82072	1.9
55.01811	90.0
55.05437	12.3
57.03384	2.5
57.06993	10.4
58.01852	1.7
59.21411	1.9
64.33790	1.7
67.05426	30.1
67.78618	1.5
69.03340	11.9
69.06980	46.4
71.04917	15.5
79.05409	28.2
81.06978	29.2
83.04887	4.5
83.08501	1.9
85.06461	36.1
91.05415	15.9
93.06972	43.5
95.04895	16.1
95.08532	60.6
97.06455	38.3
99.04376	12.0
100.07826	2.0
100.11172	10.3
105.06967	36.7
107.04880	7.7
107.08536	91.2
109.06461	23.8
109.10085	2.9
111.08012	3.4
113.05935	10.1
117.06952	2.5
119.08534	3.8
121.06439	13.4
121.10087	31.9
123.08034	29.2
128.65230	1.9
131.08493	2.4
133.06462	2.4
133.10048	1.7
135.11682	17.0
139.11128	3.6
142.31746	2.0
145.10063	19.6
147.11652	2.0
149.09541	8.0
151.07527	20.9
163.11156	38.2
164.67445	2.0
167.10640	8.6
169.08557	100.0
181.12213	17.2
191.10635	7.3
197.97661	2.1
209.11565	3.4
227.12715	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	227.1278
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
53.03876	1.9
54.90339	1.5
55.01814	76.7
55.05456	27.7
56.96502	9.9
57.03376	3.6
57.07012	9.2
57.25053	1.8
63.46468	1.9
65.03856	4.4
67.05424	38.6
69.03352	18.6
69.06988	47.9
71.04914	18.6
73.02825	3.4
79.05414	31.5
81.03320	2.6
81.06963	27.5
83.04913	9.7
83.08527	12.2
85.06470	28.6
91.05415	16.9
92.10233	4.0
93.06973	47.7
95.04892	20.0
95.08534	60.4
97.06462	34.3
98.09608	4.3
98.97504	2.8
99.04401	16.8
100.11176	26.9
103.05417	1.9
105.06971	34.6
107.04910	2.5
107.08539	100.0
109.06474	30.6
109.10109	2.1
111.04386	4.7
111.08070	4.3
113.05942	9.8
114.09131	2.6
117.06964	2.9
119.08509	15.1
121.01606	14.8
121.06467	20.3
121.10101	29.9
123.08014	29.4
123.11702	1.8
125.05923	3.9
125.09660	2.2
129.23622	2.2
131.08563	4.6
133.10117	4.2
134.99585	3.8
135.07997	2.9
135.11649	9.6
137.09705	2.2
139.01744	3.8
139.02689	8.7
139.11218	2.9
140.04642	4.2
145.10117	17.7
149.09608	10.4
151.07518	12.7
151.11198	1.9
155.07037	2.7
158.22453	2.1
163.01738	2.3
163.11130	29.0
167.07004	9.0
167.10658	7.9
169.08571	91.8
173.09712	2.2
181.02861	8.7
181.04929	8.3
181.12201	11.7
182.15419	2.8
184.06282	4.3
191.10637	13.2
209.11765	8.0
227.08127	11.8
227.12775	14.7
227.17612	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	227.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03007	4.4
55.01802	7.3
55.05453	100.0
56.49669	4.3
56.96500	12.8
57.03367	11.6
59.04940	5.2
65.65192	4.7
67.05422	50.4
69.03355	9.0
69.06982	36.5
71.04900	32.9
71.25161	4.9
71.68920	5.0
72.74777	5.7
79.05393	56.7
80.05630	4.6
81.06958	55.5
83.04907	13.2
83.08532	31.8
85.06473	7.6
91.05402	29.8
93.06962	51.3
95.04882	30.2
95.08538	41.5
97.06477	20.5
97.10090	51.7
98.90163	5.0
99.04390	7.7
99.08025	6.4
99.31606	5.4
100.11190	68.2
105.06986	29.0
107.08546	64.4
109.06481	21.7
109.10081	39.9
111.08035	22.5
117.80933	5.8
119.08528	7.9
120.99847	5.5
121.01605	8.8
121.10096	34.4
125.09624	37.9
131.08569	9.1
133.10107	27.7
135.07991	9.9
137.09569	6.4
145.10103	7.2
147.11676	7.1
149.09615	11.7
149.13206	5.4
151.11116	7.9
167.07043	10.7
173.13184	7.8
181.02847	8.0
191.14307	8.4
209.15363	29.5
227.12766	56.3
227.17575	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	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03880	7.7
55.01802	3.7
55.05452	38.7
57.03365	7.3
57.07011	11.3
59.04928	7.1
67.05428	43.9
69.03353	45.8
69.06990	48.3
71.04913	36.8
79.05410	55.3
81.03342	17.0
81.06976	66.4
83.04893	24.0
83.08535	18.1
85.06464	6.9
87.04393	2.4
91.05405	26.3
93.06976	56.3
95.04888	14.9
95.08537	53.5
95.09132	2.3
97.06464	9.3
97.10115	17.3
99.08015	2.9
100.11272	2.0
105.06969	32.4
107.04906	9.4
107.08540	100.0
107.82201	1.4
109.06475	22.4
109.10108	46.0
111.08040	18.2
115.07516	7.1
117.06971	7.4
119.06036	1.8
119.08504	13.3
121.06466	16.9
121.10093	38.1
123.08032	16.2
123.11658	12.7
125.09584	18.1
129.09077	2.2
130.90848	1.6
131.08577	15.1
133.10118	20.9
135.08002	25.9
135.11679	10.7
137.09593	9.6
143.08484	1.8
143.10689	3.1
145.10127	5.8
147.11690	13.5
149.09555	15.3
149.13246	10.2
151.11162	31.2
153.09038	5.7
158.10890	2.4
161.13336	1.9
163.14810	17.2
165.12753	10.9
173.13214	18.4
191.14288	21.0
193.09595	1.7
209.15300	12.4
217.05692	1.6
227.16322	16.0
245.54411	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03884	6.4
55.01816	7.5
55.05450	64.1
56.96501	15.5
57.03365	13.0
57.07012	18.4
60.61485	2.6
67.05436	55.2
69.03351	57.4
69.06994	57.1
71.04906	46.0
73.02824	5.3
79.05402	81.9
81.03325	18.2
81.06974	86.5
82.06485	3.5
83.04902	39.8
83.08540	33.9
85.06474	17.3
91.05411	47.1
93.06966	70.1
95.04910	24.5
95.08517	56.8
97.06451	18.7
97.10090	19.9
99.04389	4.9
99.08022	5.3
100.11181	62.7
101.05958	6.1
105.06973	36.6
107.04916	14.3
107.08537	100.0
109.06483	31.1
109.10107	42.8
110.07172	3.3
111.04366	4.7
111.08026	23.6
115.07479	4.1
117.06970	5.5
119.08527	17.8
121.01614	25.2
121.06471	19.7
121.10091	42.4
123.08033	16.3
123.11671	21.2
125.09591	21.7
131.08556	23.1
133.10110	22.0
135.08037	31.0
135.11606	13.3
137.09602	6.2
138.86023	3.6
139.01776	12.7
139.02704	16.6
139.11185	5.7
140.04703	12.4
145.10094	6.2
147.04280	3.9
147.11725	15.3
149.09579	14.5
149.13240	8.3
151.11165	36.4
153.09070	6.0
163.03844	5.8
163.14757	18.0
165.12657	5.3
167.07011	7.6
173.13234	20.9
181.02840	18.3
181.04904	18.6
191.14220	16.4
207.70816	3.6
209.15164	23.6
213.06593	3.6
227.15897	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1753
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
51.86332	0.3
55.05187	0.8
55.05452	19.9
83.08534	10.2
95.66264	0.4
100.11186	100.0
110.05992	0.5
139.08675	0.5
158.16168	0.4
191.52037	0.4
209.16437	8.9
227.17491	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	227.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36562	0.9
55.01814	37.7
55.05450	11.6
56.96500	4.7
57.03359	1.1
57.07021	0.9
60.05594	1.1
61.06456	1.0
65.03864	1.0
67.05423	6.3
69.03346	1.5
69.06985	8.7
69.54047	1.1
70.06522	1.2
71.04908	2.7
72.08065	24.7
72.44638	1.0
79.05386	8.2
81.06975	5.4
83.04906	2.0
83.08551	2.2
83.69347	1.0
84.04421	1.1
84.16157	1.0
85.06459	5.6
91.05403	25.4
93.06966	13.2
95.04911	7.3
95.08542	1.6
97.02807	1.6
97.06461	100.0
97.07504	3.3
98.97543	1.9
99.04427	1.2
100.11185	25.5
102.56129	1.1
103.05416	4.4
105.06992	2.5
107.08551	6.2
109.06465	4.6
109.10094	1.9
111.04411	2.1
114.09112	5.3
114.10236	34.0
115.08641	13.9
116.98596	1.6
119.01806	1.1
121.01646	5.9
121.06445	15.9
121.10126	5.6
123.08036	1.3
126.09148	6.5
129.52869	1.1
131.08559	4.8
133.10127	1.8
134.99648	1.5
135.07964	1.2
139.01768	2.4
139.02737	5.6
140.04729	5.4
140.85080	1.2
144.03114	1.2
149.05956	4.7
149.09593	4.8
159.05542	1.8
163.01776	2.2
166.06224	1.6
167.05974	6.1
167.07085	5.1
167.15408	29.4
167.16731	1.8
168.13802	61.1
177.05478	7.5
181.02806	10.3
181.05006	1.6
181.08604	7.5
185.07065	15.8
191.10617	1.4
209.08078	2.1
209.16548	1.5
210.15982	21.2
227.08160	2.2
227.12851	1.4
227.18678	57.5
228.18936	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	227.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37628	5.8
55.05454	77.9
57.07005	50.4
57.66968	5.8
58.79874	6.7
67.05437	27.4
69.06990	100.0
70.10953	7.6
71.08539	12.3
79.05402	28.8
81.06977	40.5
83.08554	54.4
83.51224	7.4
92.10263	22.8
93.06973	29.0
95.08531	17.9
97.06477	16.8
97.10115	16.9
97.92744	6.6
100.03796	7.4
100.11198	73.4
104.99238	11.3
107.08543	17.9
109.10102	14.4
111.08028	10.4
121.01621	35.9
121.10074	28.9
135.11668	17.4
139.02692	13.1
191.17940	30.5
209.16579	7.6
209.18922	9.1
209.87074	7.4
227.15538	49.6
244.53459	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	228.2684
Annotation	n-Pentadecylamine
Peak:m/z	Relative Intensity
50.85704	0.3
57.07011	10.4
58.06524	2.6
60.08092	38.0
71.08544	4.4
80.33868	0.5
85.10089	1.0
96.24701	0.5
101.63509	0.4
126.36546	0.5
165.50957	0.4
170.03314	0.5
171.13483	0.5
228.26814	100.0
238.78792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0971
Annotation	CHEBI:132265
Peak:m/z	Relative Intensity
53.03877	0.7
55.01781	0.5
55.05444	0.6
56.96502	4.9
57.03360	0.6
57.06997	3.2
57.53333	0.4
60.83855	0.6
61.02857	0.6
61.21385	0.5
62.04570	0.5
67.05418	1.0
67.23119	0.5
69.06982	1.1
70.06509	5.6
70.57436	0.6
72.08056	0.6
74.99265	0.5
78.04613	3.6
79.05380	2.9
81.03333	0.7
81.06969	1.1
82.10781	0.5
83.08552	0.6
83.97543	0.7
84.08044	2.2
86.09607	1.1
91.05390	3.5
93.06960	2.5
95.04862	2.9
95.08543	0.7
97.02794	0.9
98.97493	1.2
103.05381	2.2
105.03365	0.5
105.06975	2.4
106.04114	2.8
107.04880	1.3
107.08498	0.7
107.92913	0.6
109.02840	0.9
116.07027	0.9
116.98554	1.3
120.08050	0.7
121.06441	3.0
122.13316	0.5
123.04390	12.1
123.34975	0.5
124.05192	4.5
124.07521	0.6
127.03818	0.9
133.06473	0.8
134.99579	2.3
149.05914	2.9
151.03822	3.8
152.04608	2.5
164.92801	0.6
165.05325	0.7
167.06998	100.0
176.05331	0.7
181.08629	0.8
182.08357	81.4
182.93828	0.7
183.09126	12.9
185.05672	1.3
191.81715	0.5
211.08618	50.2
229.09666	24.3
229.15437	2.7
229.23462	0.6
242.68045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.107
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
53.03877	1.0
55.01805	1.0
55.05443	1.5
56.96494	3.5
57.03366	0.6
57.07023	4.9
67.05425	1.5
67.46287	0.5
70.06510	6.0
71.04903	1.1
72.08076	1.5
78.04627	4.6
79.05400	3.3
81.06980	2.9
83.04890	0.8
84.08054	3.5
85.02779	0.9
85.06464	1.4
86.09634	2.6
88.63838	0.7
91.05389	5.3
93.06974	3.2
95.04889	3.3
95.08536	1.7
96.05663	0.8
98.97502	2.9
103.05395	1.5
105.03296	0.9
105.06963	3.2
106.04113	0.9
107.04899	1.4
109.02813	0.7
109.06474	1.4
115.05381	0.7
115.13043	0.7
116.07079	0.7
116.98578	1.3
119.01878	0.8
120.08082	1.5
121.06434	2.6
123.04378	11.7
124.04379	0.7
124.05183	4.3
125.09638	0.7
127.03894	1.1
129.10222	1.0
131.30553	0.8
133.06516	1.0
133.10109	0.8
134.99658	1.2
135.04408	0.8
137.05914	2.1
142.08557	2.6
149.06001	1.3
150.96872	0.9
151.03900	6.0
152.04636	3.9
166.06320	1.0
167.06999	100.0
169.05031	0.9
181.08617	0.9
182.08344	26.8
183.09123	8.5
211.08557	13.5
228.23120	0.7
229.09682	13.2
229.15408	3.2
229.23621	0.8
239.07376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	1.0
55.01805	1.0
55.05443	1.5
56.96494	3.5
57.03366	0.6
57.07023	4.9
67.05425	1.5
67.46287	0.5
70.06510	6.0
71.04903	1.1
72.08076	1.5
78.04627	4.6
79.05400	3.3
81.06980	2.9
83.04890	0.8
84.08054	3.5
85.02779	0.9
85.06464	1.4
86.09634	2.6
88.63838	0.7
91.05389	5.3
93.06974	3.2
95.04889	3.3
95.08536	1.7
96.05663	0.8
98.97502	2.9
103.05395	1.5
105.03296	0.9
105.06963	3.2
106.04113	0.9
107.04899	1.4
109.02813	0.7
109.06474	1.4
115.05381	0.7
115.13043	0.7
116.07079	0.7
116.98578	1.3
119.01878	0.8
120.08082	1.5
121.06434	2.6
123.04378	11.7
124.04379	0.7
124.05183	4.3
125.09638	0.7
127.03894	1.1
129.10222	1.0
131.30553	0.8
133.06516	1.0
133.10109	0.8
134.99658	1.2
135.04408	0.8
137.05914	2.1
142.08557	2.6
149.06001	1.3
150.96872	0.9
151.03900	6.0
152.04636	3.9
166.06320	1.0
167.06999	100.0
169.05031	0.9
181.08617	0.9
182.08344	26.8
183.09123	8.5
211.08557	13.5
228.23120	0.7
229.09682	13.2
229.15408	3.2
229.23621	0.8
239.07376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	2.0
55.05447	2.7
56.96502	11.1
57.03362	1.8
57.06998	2.3
67.05418	6.7
69.03346	1.4
69.06969	2.4
70.06505	7.9
71.04907	35.6
71.81250	1.1
72.08051	1.1
73.06438	1.0
79.05391	5.8
81.03329	2.4
81.06973	8.5
83.04898	1.5
84.04397	1.3
85.02826	2.0
85.06437	2.3
86.09610	2.4
91.05391	6.1
93.06973	15.0
95.04896	76.5
95.08516	4.9
97.02819	1.4
97.06457	1.2
98.97524	9.3
99.04385	100.0
99.08033	3.0
99.97839	1.2
104.90787	2.3
105.06956	8.1
106.47899	1.1
107.08540	9.6
109.06461	18.8
109.10072	2.7
111.08016	4.9
115.05416	2.7
116.98546	7.0
117.06894	1.2
119.08549	2.4
123.08047	2.8
133.10097	10.4
134.99608	7.2
135.08028	25.0
142.06532	2.4
142.08665	1.4
144.08089	1.2
145.10042	1.6
146.05989	2.9
146.10437	1.3
146.91808	2.2
147.08002	2.3
150.96823	2.4
151.11128	5.2
153.09100	8.8
168.06801	2.0
169.12198	12.1
175.11140	2.5
177.00752	1.3
182.08228	1.6
183.09138	99.9
188.06941	1.7
193.12199	5.7
201.09000	1.4
211.13216	5.5
229.09651	34.8
229.15439	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
51.28522	1.0
53.61609	1.0
54.81952	1.2
55.01818	1.3
55.05458	1.4
56.96509	11.6
57.03376	1.1
57.06997	2.4
59.13505	1.0
66.25425	1.1
67.05418	6.7
69.03327	4.4
69.06969	4.6
70.06505	9.1
70.84019	1.0
71.04909	26.5
79.05398	5.6
81.03340	2.4
81.06970	6.1
83.04900	1.6
83.97571	1.5
85.06471	1.3
86.09628	2.8
91.05405	6.0
93.06977	9.3
95.04893	53.5
95.08543	2.9
97.06390	1.2
98.97518	2.8
99.04382	63.0
99.08021	2.1
105.06946	8.0
107.08539	6.1
109.06467	14.1
109.10127	2.3
111.08009	4.7
115.05380	5.5
116.06957	1.7
116.98570	6.0
119.08504	2.7
123.08018	2.1
129.06982	1.3
133.10066	5.2
134.99623	6.4
135.08006	14.4
137.09604	1.3
142.06462	4.7
145.10045	1.5
146.05983	1.8
146.91805	2.6
147.08044	1.8
150.96820	1.5
151.11067	2.7
153.09074	6.3
169.12192	2.8
175.11148	2.0
177.00597	1.8
182.08315	13.4
183.09128	100.0
184.09431	1.6
193.12215	2.6
200.39130	1.2
211.08643	7.4
211.13300	2.8
229.09657	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
50.34436	0.3
50.74026	0.3
55.01818	0.5
58.06265	0.5
58.06534	10.9
59.07308	2.6
60.07825	0.5
60.08099	10.7
61.40475	0.3
67.00045	0.3
68.04934	2.2
70.06512	64.7
72.08066	0.7
77.29866	0.3
93.87914	0.4
96.08077	3.5
98.05983	0.9
111.91478	0.4
114.04723	0.5
114.05486	7.6
114.09143	3.2
116.07040	1.6
123.79038	0.4
124.07560	6.6
126.09102	0.9
127.92164	0.4
142.08618	56.4
147.84650	0.4
155.28130	0.4
170.08038	3.0
229.15437	100.0
230.15617	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1545
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
50.95378	0.6
54.85699	0.5
56.73090	0.6
58.06532	12.0
58.89034	0.5
59.07310	1.5
60.08097	11.2
63.65535	0.5
68.04933	1.4
70.06506	69.2
71.52991	0.6
81.11069	0.7
96.08051	2.9
98.05943	0.9
104.11499	0.6
112.87342	0.6
114.05468	9.3
114.09109	3.5
116.07037	1.3
124.07548	4.2
126.09119	0.9
142.08606	58.3
170.08054	1.1
207.78444	0.7
215.23074	0.6
222.70049	0.7
229.15425	100.0
234.06653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Pro Ile
Peak:m/z	Relative Intensity
50.25837	0.5
54.81425	0.5
55.01810	0.7
57.03362	0.6
58.06539	8.9
59.07312	1.3
60.08095	12.4
68.04941	1.0
70.06510	58.5
70.29874	0.5
77.04606	0.5
78.81982	0.5
79.19534	0.6
81.09494	0.6
96.08047	1.4
96.31499	0.6
98.05955	1.2
114.05476	5.5
114.09116	3.5
116.07039	2.6
124.07555	6.3
126.09120	0.7
142.08612	52.4
143.00594	0.6
170.08060	2.5
229.15430	100.0
230.15694	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	9.7
55.05445	29.2
56.96498	44.5
57.03382	6.5
57.07004	5.7
60.48040	3.6
67.05424	100.0
67.36494	4.5
69.03350	25.9
69.06981	28.9
70.06500	4.4
71.04897	28.7
71.08556	7.1
79.05401	34.9
81.06973	89.1
83.04909	6.2
83.08534	10.0
85.02805	7.0
85.06464	29.0
91.05429	34.9
93.06981	73.8
95.04882	5.3
95.08547	54.8
97.06446	5.4
98.97502	21.2
99.08014	6.0
105.06973	54.4
107.08525	48.6
109.06435	6.8
109.10105	59.0
111.08039	9.0
116.98586	7.9
119.08537	24.9
121.10064	8.7
123.08026	5.9
123.11651	17.3
128.02208	5.7
132.16919	4.8
133.10086	47.0
134.99611	22.0
135.11636	26.8
137.02878	5.9
146.91844	4.1
147.11653	19.1
149.13272	10.8
151.11139	8.7
158.99663	5.6
164.92809	8.0
175.14752	22.7
177.00612	4.8
184.16974	5.1
193.15814	7.8
211.08383	4.1
211.16823	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	229.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01800	6.3
55.05448	35.2
56.96504	35.1
57.03366	15.1
57.06999	10.7
59.04924	2.6
60.39825	2.3
65.03861	4.7
67.05432	100.0
69.03334	16.6
69.06976	14.7
71.04895	16.1
79.05401	27.2
81.03283	3.0
81.06979	67.3
83.04894	18.4
83.08531	13.1
85.06468	35.4
86.09650	3.3
87.61456	2.9
91.05388	22.7
93.06971	38.9
95.04891	5.6
95.08534	47.2
97.06454	16.6
98.97520	3.8
105.06980	30.1
106.56962	2.4
107.08527	25.2
109.06458	10.5
109.10111	49.1
111.08027	5.2
116.98566	10.1
119.00135	5.9
119.08510	17.7
121.10063	15.6
123.07945	4.0
123.11657	4.6
125.09576	4.9
128.10684	4.0
133.10071	17.2
134.99652	4.2
135.11678	11.5
136.17004	3.0
136.51263	2.5
137.01176	11.1
137.09593	3.8
141.74223	3.0
146.91844	2.9
149.02299	11.6
149.13228	10.8
151.11194	3.2
153.12769	9.3
156.13803	5.3
156.33295	2.8
164.92905	5.1
169.07539	3.5
175.14789	13.5
177.00656	2.9
182.93927	3.7
193.04922	12.4
193.15923	3.1
211.16864	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	230.2475
Annotation	Lauramine oxide
Peak:m/z	Relative Intensity
50.93350	0.9
54.81997	0.8
56.72878	0.9
57.07011	32.8
58.06534	2.1
62.06018	16.7
71.08546	13.8
73.24370	0.9
85.10086	4.0
86.64552	0.8
91.85437	1.0
164.90042	1.0
199.21500	1.0
212.23625	7.7
230.24742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.99
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08546	0.4
53.96370	0.4
54.34553	0.5
54.81915	0.5
55.01802	1.0
56.96491	0.6
58.06530	9.1
59.06848	2.8
59.07302	2.3
59.38551	0.4
60.07626	0.5
60.08095	11.3
61.08415	3.4
68.04936	1.2
70.06507	53.3
71.06199	2.4
71.06839	26.6
71.07140	0.5
72.07175	0.6
72.08063	0.9
84.04412	1.1
86.09637	0.6
88.03886	1.0
93.47808	0.6
96.08039	0.8
97.08396	2.2
114.05476	4.6
114.09128	1.2
115.05798	4.0
115.09454	2.0
116.07024	3.3
117.07359	1.1
124.07574	2.1
125.07055	1.1
125.07873	3.7
127.03202	0.6
142.08607	24.2
143.08960	38.1
144.09119	5.8
162.72780	0.5
196.05943	2.3
230.15759	100.0
231.15915	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	231.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42584	0.3
52.44714	0.3
69.78516	0.3
70.06503	0.7
71.35835	0.4
73.91946	0.3
81.03305	0.4
82.77162	0.3
84.04417	0.5
84.08099	0.4
95.04881	0.4
104.78736	0.4
110.07083	0.8
119.01862	2.5
133.03372	0.4
137.02937	0.7
141.11259	0.4
145.03503	0.3
147.04976	0.8
148.97290	0.6
149.00826	0.6
153.38834	0.4
157.03459	4.6
161.01170	0.4
161.02927	0.7
167.01811	4.1
175.04457	0.8
181.31343	0.5
185.02919	100.0
186.03220	0.6
203.03964	30.3
208.04517	19.2
226.05637	1.7
231.06546	0.5
244.65770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23565	0.4
55.05442	2.5
56.96498	0.9
58.20126	0.3
58.98656	0.3
60.04460	0.3
67.05434	2.5
69.03354	0.8
69.06979	2.7
70.06528	0.5
71.04903	0.6
79.05408	2.0
81.03323	0.4
81.06976	3.3
83.08494	0.4
84.08082	0.5
85.06456	0.6
88.03912	11.0
91.05398	1.6
93.06978	3.0
95.04902	0.7
95.08524	3.6
97.02810	0.6
99.34047	0.4
105.06017	0.4
105.06973	0.6
107.08542	1.5
109.10113	0.8
111.08091	0.5
117.06965	0.8
121.10121	0.5
128.04979	0.5
130.06509	0.6
131.08643	0.4
135.11670	1.7
143.07286	1.4
144.08067	100.0
146.05865	0.4
146.89966	0.3
153.12700	0.6
160.07542	0.6
170.10895	0.4
171.09088	0.7
185.02910	0.9
186.09106	0.8
197.55273	0.4
216.12320	0.4
231.07579	0.6
231.11197	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92600	0.4
55.01822	0.5
55.05440	2.2
56.96492	1.9
57.98737	0.5
58.39665	0.3
60.05578	1.0
66.10574	0.3
67.05420	0.4
68.90729	0.4
69.03349	2.5
70.06497	0.6
72.08070	15.1
73.01052	11.1
73.03949	0.5
81.03345	2.1
83.93793	0.4
85.02816	1.1
86.09613	0.8
87.00756	0.6
89.10733	0.8
95.82595	0.4
97.07584	3.5
98.05985	2.3
98.97477	0.7
101.00538	100.0
114.10243	27.2
114.37566	0.4
115.08639	5.7
116.98562	0.8
130.03185	0.7
131.12837	0.8
146.99612	0.5
148.97359	1.0
166.09711	1.6
171.09482	9.1
172.07881	15.8
185.02863	0.8
214.10081	7.8
231.12701	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1704
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
50.80713	0.2
52.23516	0.2
52.35107	0.2
53.03890	0.4
54.57641	0.2
55.05183	0.6
55.05453	16.2
55.64619	0.2
56.04972	0.3
56.96505	2.0
57.03378	0.3
57.05745	0.7
57.07006	0.2
61.02870	0.2
61.28860	0.2
62.57503	0.3
64.54729	0.3
68.04947	0.2
69.03345	1.2
69.06970	0.3
70.06519	0.6
72.08072	100.0
73.01060	4.3
73.08394	0.3
81.03341	0.6
82.84938	0.3
84.08078	0.4
85.02840	1.1
86.09619	5.1
91.05418	0.6
97.02805	0.3
97.07616	0.4
98.97523	1.7
101.00544	31.6
101.71696	0.3
103.76724	0.3
105.67608	0.3
114.10250	8.8
115.08662	1.9
116.98576	1.0
119.01795	0.4
128.98566	0.6
130.06575	0.3
132.10153	1.9
134.99663	1.2
146.99667	0.5
148.97356	0.6
149.01161	1.0
171.09438	3.6
172.07861	4.0
177.00706	0.3
185.02991	0.7
185.16386	0.3
186.09099	0.6
214.10120	1.7
231.12733	8.5
231.17027	2.4
231.41020	0.3
254.95892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	12.1
54.93908	2.9
55.01814	2.8
55.05454	44.4
56.96488	13.7
57.03361	18.3
57.07004	6.4
58.68359	3.0
61.34520	2.7
65.41344	2.9
67.05425	76.2
69.03353	49.6
69.06985	42.9
71.04894	22.6
72.04424	6.1
72.77383	2.8
73.02823	4.1
78.31280	3.0
79.05406	52.6
81.03329	25.4
81.06973	85.2
82.97122	3.3
83.04884	4.3
83.08511	16.3
84.08038	4.5
85.02826	28.1
85.06438	17.6
87.00744	6.4
91.05399	27.1
93.06973	52.3
95.04891	5.5
95.08535	100.0
97.02786	5.2
97.06446	8.0
97.10070	5.2
98.97467	3.3
99.04367	5.3
99.08023	4.2
103.05417	4.8
105.06922	4.3
107.04890	3.4
107.08540	32.1
109.02809	12.9
109.10109	34.4
111.08021	4.1
115.07493	3.7
116.98497	4.6
119.01731	3.3
121.10113	40.3
127.03829	7.5
134.99580	3.4
135.11652	27.8
149.01166	5.2
177.16327	19.9
185.02927	13.2
186.09079	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	232.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52314	1.5
54.81697	2.0
55.01806	12.9
55.05450	3.8
56.96489	11.0
57.03363	2.8
58.07400	1.6
61.02842	2.4
67.05431	3.6
68.04946	22.3
69.03330	8.6
69.06979	17.3
71.04908	1.8
72.08072	2.6
73.02836	23.8
75.56432	1.5
79.05390	4.3
81.06972	6.7
84.08045	2.4
85.02822	2.9
86.09628	100.0
87.09938	1.9
91.05405	27.5
93.06960	3.9
95.04892	2.6
95.08559	4.2
97.02805	14.4
97.06427	2.5
98.97500	8.7
100.03900	30.2
100.07529	2.3
101.02313	32.1
103.05386	4.1
105.06958	4.3
107.04863	3.7
107.08524	3.1
109.10100	3.5
115.03831	2.0
116.98550	3.4
119.01870	9.6
119.04891	1.7
119.08586	2.4
126.03658	2.2
128.07011	11.6
130.06493	4.6
131.01828	9.5
132.10138	9.4
132.95772	2.5
133.10097	29.1
134.99660	3.1
135.11676	3.1
137.02943	2.4
137.09541	2.5
143.01880	2.3
145.13896	1.9
146.99594	2.4
149.01207	3.3
150.96858	10.6
157.86324	1.9
158.09558	3.0
161.02940	8.4
161.09599	7.9
167.02263	2.5
168.10173	8.2
173.77757	1.7
179.10626	3.6
184.07498	1.9
186.05782	10.2
186.09099	30.0
186.11179	8.1
214.10699	4.2
232.06252	7.3
249.46597	2.1
250.03809	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	233.042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79129	0.8
55.05453	14.0
56.04969	4.0
56.33231	0.8
56.96502	23.7
57.03368	0.9
57.05798	1.1
58.99501	1.0
64.33164	0.9
64.99760	1.0
70.06508	10.5
72.08069	100.0
74.05983	9.6
84.04429	5.0
84.08067	11.3
84.95979	1.1
86.05976	1.3
86.09640	5.1
112.08652	1.7
116.07053	1.2
118.08604	1.5
119.00139	2.3
128.07010	1.0
128.98573	2.1
144.97975	1.2
146.99643	5.4
152.07016	1.2
162.99115	2.4
165.00710	5.1
183.01715	1.5
190.98618	1.4
208.99690	5.1
216.08711	1.0
227.02591	1.1
233.06195	4.5
243.36470	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04974	21.8
56.56820	0.8
57.07009	13.5
58.06525	9.3
58.16833	0.7
60.04448	2.2
69.06976	1.0
71.08549	9.9
74.05995	18.5
86.05997	1.2
88.07554	69.3
94.81622	0.9
104.07047	1.6
118.08595	9.8
122.08105	8.4
154.74086	1.0
161.84105	0.9
186.18495	87.9
216.19629	1.7
234.20589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57163	8.3
54.66578	12.8
55.05454	23.1
56.96500	90.9
57.07003	18.2
67.05441	14.7
69.03365	25.8
70.06496	17.7
71.04897	11.4
71.43891	10.3
71.45197	9.4
72.08047	11.9
73.02817	12.3
78.13345	11.5
79.05384	14.1
81.03321	9.9
81.06944	16.7
82.88874	10.4
83.04908	26.5
91.05398	10.7
93.07012	13.9
95.06026	48.9
96.06326	13.1
97.02831	42.4
98.97507	77.3
107.04871	12.2
111.04394	16.6
116.98571	82.3
117.50483	11.4
121.02815	58.5
130.02203	10.7
134.05994	23.5
134.99617	100.0
139.01817	71.1
149.01169	14.9
153.00703	16.4
161.01120	12.1
162.05420	11.3
163.01706	12.8
177.00862	12.1
181.02792	97.6
189.00659	18.8
200.57587	12.6
218.11215	11.9
228.21330	13.9
235.05797	83.0
235.08388	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65778	0.2
58.06532	2.9
59.07310	3.4
62.78767	0.2
64.80952	0.2
74.16312	0.2
116.37110	0.2
118.08598	100.0
120.30574	0.2
127.10632	0.2
132.10181	0.4
207.02805	0.2
234.37227	0.2
235.16537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0865
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
56.96487	0.6
65.29198	0.4
68.22272	0.4
74.02345	5.5
89.87319	0.5
90.71456	0.5
91.05414	1.7
94.06503	10.0
95.04836	0.5
98.97516	8.1
99.00759	2.5
99.22035	0.4
103.05409	0.5
104.04911	2.6
110.05968	1.9
113.23829	0.5
116.98563	9.7
117.05684	0.6
118.06490	16.1
120.04410	4.5
120.08055	16.6
122.05942	0.6
128.04918	5.6
130.06487	7.6
132.04391	4.9
134.99628	7.8
135.57608	0.5
136.07547	14.0
143.07292	0.5
146.05981	100.0
148.03905	14.7
148.11118	0.7
150.05486	2.7
153.00774	0.8
156.04385	2.1
157.07562	6.2
158.05968	2.4
159.09131	1.0
164.07057	1.6
166.08595	6.2
173.07076	0.6
174.05478	16.9
176.04837	0.4
177.00687	0.9
191.08127	3.9
192.06487	4.0
195.01689	0.6
202.04990	3.6
203.08154	1.8
220.06050	2.6
237.08658	4.9
237.12314	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96502	23.6
57.03361	2.7
62.17100	1.1
67.05440	1.8
69.03345	2.4
70.06495	4.7
71.01244	1.0
71.04892	1.8
72.08067	1.2
73.02814	2.7
74.02348	8.1
74.24243	1.1
79.05402	1.4
80.04915	1.1
81.03324	1.9
81.06944	1.6
84.08079	1.6
85.02857	1.6
86.09621	1.4
87.04395	1.2
91.05392	8.1
94.06493	33.4
94.55229	1.1
95.04863	1.5
95.08553	2.0
97.26926	1.4
98.97510	52.3
99.00747	10.8
99.04358	4.5
103.05401	2.5
104.04903	10.6
106.06477	5.0
107.04871	1.7
109.14843	1.5
116.98573	84.9
117.05457	6.7
118.06490	62.1
120.04407	21.3
120.08054	55.2
122.05943	1.3
123.02256	1.4
130.06410	2.1
132.04434	17.0
134.99620	100.0
136.07556	51.3
139.01761	2.5
143.00142	1.5
146.05988	98.8
146.09608	2.6
148.03923	6.4
148.07558	2.5
150.05499	15.1
153.00681	31.1
154.94174	2.3
156.04384	1.7
161.01167	5.9
163.08669	1.4
164.07018	2.7
165.09039	1.2
172.95232	10.9
174.05455	43.6
177.00691	15.2
182.09966	1.2
190.96198	7.8
192.06519	28.3
195.01767	15.3
201.01790	6.4
201.07304	1.8
202.04903	7.2
219.02815	8.1
220.06042	6.6
236.14871	1.6
237.08765	4.2
237.12379	1.7
237.22212	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0868
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
54.82002	0.2
56.96491	0.3
70.06508	0.4
72.08089	0.6
74.02351	8.4
78.16292	0.2
83.19818	0.2
84.08051	0.4
86.09605	0.2
91.05395	0.5
94.06496	0.3
95.04922	0.3
98.97514	3.2
105.84504	0.2
106.59348	0.2
107.04893	0.3
116.82899	0.2
116.98577	3.0
118.06452	2.4
118.08630	0.2
128.04919	5.4
130.06487	0.5
132.04399	0.8
134.99625	2.2
146.05986	100.0
147.06377	0.2
148.03905	2.1
153.00598	0.3
157.07565	0.2
158.05974	0.8
166.63846	0.2
173.07086	0.2
174.05450	0.4
177.00665	0.4
192.06581	0.4
195.01730	0.4
219.07600	0.9
220.13405	0.2
237.08682	2.5
238.98994	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	3.7
55.01799	3.2
55.05452	3.9
56.96500	45.1
57.03370	4.5
57.06734	3.5
57.07014	100.0
58.07328	2.7
63.74123	2.2
67.05415	6.0
68.64807	2.1
69.03354	4.2
69.06980	5.0
73.02838	4.6
78.47658	2.3
79.05421	22.8
81.03330	4.3
81.06983	12.9
83.04893	16.5
84.08074	4.4
84.95959	9.7
85.02835	3.3
85.06476	40.5
85.93063	2.5
91.05393	23.8
91.81874	2.5
93.06981	15.0
93.40120	2.8
95.04895	5.0
98.97517	46.4
105.06968	15.9
106.06512	5.2
107.04913	13.5
107.08538	12.8
114.36552	2.9
115.05396	5.6
116.06208	5.4
116.98585	58.2
117.06967	9.4
118.06478	3.4
119.00171	2.5
119.08548	4.0
120.08035	3.6
121.06438	11.2
121.10067	3.8
123.08026	3.5
125.05909	3.1
127.39767	2.9
128.06151	5.2
128.98592	3.9
129.06938	18.4
129.10156	2.3
131.00131	10.9
131.04877	3.9
131.08574	18.6
133.06421	3.4
134.99634	48.3
135.04420	3.2
135.08006	10.1
139.01805	4.0
141.06929	4.7
143.00195	3.7
144.05722	18.6
145.06471	4.0
145.10123	4.0
146.05957	12.0
146.99619	3.3
147.04390	3.6
147.08047	3.8
148.07552	4.0
149.01213	30.5
149.06044	3.9
149.09583	5.6
150.96873	2.8
150.99013	2.4
151.03885	3.9
153.00690	13.7
153.05635	2.5
154.90797	2.5
159.08020	21.8
161.01193	4.7
161.05899	5.2
162.99178	2.5
163.03885	2.7
163.07515	2.9
167.02260	15.0
168.98027	12.7
172.03055	13.0
172.95258	3.0
173.01251	4.2
175.07507	4.7
177.00677	11.2
177.09033	5.3
179.06975	3.7
186.99112	50.7
187.07495	10.3
189.00702	3.8
190.96220	10.6
191.02281	9.5
191.06992	3.5
191.10686	10.3
192.06496	18.4
193.08559	24.7
195.01741	9.8
205.00183	24.3
205.05450	11.7
214.05968	9.5
219.01808	14.6
219.06502	3.0
219.10077	23.4
237.02852	9.7
237.11227	10.3
243.01698	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	237.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	4.0
55.01806	4.7
55.05437	10.8
56.96495	26.3
57.03358	3.4
57.06972	2.8
65.03861	2.3
67.05409	11.6
69.03345	3.2
69.06998	3.8
70.06490	3.3
71.04893	4.5
76.58743	2.7
79.05409	41.4
81.03333	6.4
81.06968	22.9
83.04889	36.7
83.08535	2.6
83.38152	2.6
85.02826	3.5
86.09594	4.5
91.05405	23.4
92.10262	5.3
93.06963	17.3
95.04888	11.4
95.08512	3.8
97.06436	4.9
98.97519	40.4
99.04414	2.9
102.96983	2.3
103.05411	3.4
105.03341	3.3
105.06960	18.2
106.06474	13.2
107.04898	23.6
107.08514	10.4
109.02824	5.1
109.06479	3.7
109.10131	2.5
110.62489	2.8
116.98556	53.0
117.06961	6.1
119.08524	19.5
120.08003	10.2
121.06465	21.9
121.10110	3.1
123.08011	13.0
129.06932	3.1
129.68243	2.6
131.08517	12.1
131.96080	3.3
133.06465	5.7
134.99620	68.9
135.04369	10.9
135.08015	11.8
137.09557	4.5
138.54228	2.7
139.01776	2.9
145.05103	2.5
145.06396	3.3
145.10107	5.6
146.06038	8.0
147.06816	3.6
147.08044	4.5
148.07518	4.4
149.06001	2.8
149.09566	8.9
149.97182	4.2
151.07535	3.0
152.25983	2.9
153.00667	21.0
153.05447	2.9
153.64149	2.4
159.08034	3.8
163.03838	5.1
163.07509	4.8
165.03336	3.4
167.48611	2.8
172.95204	4.4
173.09535	2.7
175.07573	4.1
177.00667	11.8
177.05484	4.0
177.09047	10.4
178.06154	3.6
189.00880	2.9
189.02570	2.9
190.96307	5.7
191.10674	19.4
192.06479	16.0
193.08562	100.0
195.01738	11.1
201.09129	3.3
219.10100	5.8
237.07500	3.9
237.11131	5.7
237.15001	5.2
254.07683	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	237.1232
Annotation	Phe-ala
Peak:m/z	Relative Intensity
51.66141	0.4
55.01831	0.5
55.05449	0.7
56.96503	9.6
57.03368	0.7
67.05404	0.9
70.06503	0.7
71.04913	0.7
71.79061	0.5
79.05429	0.9
81.03327	1.1
81.06972	0.8
84.08059	1.1
93.06969	2.2
95.04894	0.6
95.08549	0.6
96.23015	0.5
98.96896	1.0
98.97515	21.3
98.98154	0.7
103.05395	7.9
105.06989	0.6
106.06498	2.3
114.87173	0.5
114.97583	0.4
115.96394	0.5
116.97749	1.2
116.98572	33.6
120.08059	100.0
132.98660	0.5
134.99623	40.5
139.01770	2.1
141.06267	0.6
146.06052	1.8
146.09637	0.6
146.99629	1.1
149.97104	0.6
153.00676	15.4
154.94167	0.7
158.01172	0.7
159.06351	0.5
160.02786	1.1
165.03377	0.8
172.95293	4.8
177.00728	5.6
190.96425	4.2
192.06500	2.5
195.01744	6.4
208.99626	0.9
215.02119	0.5
236.14963	0.6
237.12169	2.5
251.78496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88676	0.7
55.05437	1.3
56.96498	16.8
59.51165	0.8
60.49908	0.8
62.98202	0.8
69.03332	1.2
69.61292	0.8
69.61669	0.8
71.04909	1.0
71.95162	1.0
72.08049	1.3
74.02347	1.3
79.05398	1.4
81.03338	1.5
85.02800	1.0
91.05406	1.6
94.06480	1.1
95.04899	1.1
97.00739	0.9
98.97514	56.9
103.05400	3.6
106.06497	4.3
107.04897	1.9
109.06448	0.9
116.98571	83.1
118.06448	1.6
120.04385	1.0
120.08058	77.3
123.02328	1.2
123.05504	1.7
127.03831	1.2
127.04775	1.0
130.06488	1.6
131.04883	1.4
134.99622	100.0
135.04366	1.2
136.07571	3.6
139.01801	7.2
141.28743	0.9
146.05988	27.0
148.03897	7.5
149.01228	1.2
149.05957	1.6
149.97105	1.1
153.00687	31.4
154.94141	1.5
156.04369	1.0
158.01251	1.7
158.05991	1.3
158.99623	1.2
165.03415	1.9
166.08601	21.5
172.95285	8.1
173.01270	1.1
174.05457	5.5
177.00647	14.4
190.96480	7.5
191.08237	1.7
192.06511	6.1
195.01730	17.1
202.04913	1.3
228.74881	0.9
237.12317	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	238.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	13.5
56.04963	6.9
57.03362	12.3
58.02874	3.1
58.06520	4.3
58.92591	2.4
59.07331	2.6
60.04458	70.9
61.02836	3.9
63.06503	2.6
66.52014	2.4
68.04951	20.7
69.03354	21.5
70.02891	3.8
70.06506	4.4
72.04430	67.6
73.02826	20.7
74.02356	22.5
75.45404	2.6
76.03899	3.1
78.49235	2.5
81.03339	4.3
84.04431	15.0
84.08092	2.4
85.02833	31.0
85.30241	3.1
86.00578	3.3
86.05990	18.1
87.04398	5.2
88.03915	11.8
90.05474	3.3
92.03321	2.5
96.04424	37.9
97.02829	26.7
98.05975	6.7
99.04398	3.7
99.88937	2.6
102.98454	17.5
105.96315	4.0
112.03902	20.6
112.34062	2.6
113.02310	6.9
114.00038	3.4
114.05479	86.4
115.03888	13.1
118.03569	2.7
118.08607	23.3
119.09006	20.4
120.08124	3.5
120.09038	17.6
120.99527	16.8
121.09406	3.3
124.03897	15.1
125.02310	13.6
132.01111	4.3
132.06532	100.0
133.04971	12.1
139.34828	2.9
142.04965	29.3
146.05992	3.4
148.07567	5.4
150.07645	30.0
150.08728	4.3
154.94168	3.2
156.01102	4.9
160.06023	26.6
170.14108	3.7
172.95181	17.7
178.07109	20.7
184.00618	3.7
186.76398	2.8
190.96281	18.6
192.06487	10.3
196.08102	51.4
202.01666	4.7
202.07098	18.2
213.41873	2.6
218.96823	2.8
220.08023	28.3
237.15060	5.0
238.08928	4.4
238.15297	3.4
257.83694	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	238.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53646	0.5
55.05453	0.9
55.88564	0.6
56.96502	1.4
57.48738	0.5
63.47141	0.9
63.70785	0.5
65.03863	2.6
67.05408	0.8
75.37880	0.6
79.05403	4.1
80.72746	0.5
81.06999	0.8
87.04389	2.9
89.05951	22.4
89.72617	0.6
89.91992	0.7
91.05395	1.0
93.06954	0.7
98.15476	0.6
105.03338	1.1
106.06492	9.5
107.04936	2.7
107.07029	0.7
111.04349	0.8
116.98539	0.8
120.08067	1.1
121.02828	9.2
121.22161	0.7
130.06517	1.5
133.02815	15.0
133.08594	2.4
135.04379	1.0
144.89149	0.8
149.02315	100.0
150.96895	2.7
167.03369	0.8
172.95247	1.0
173.98465	0.8
176.07014	21.6
177.05428	0.6
177.11211	2.8
192.06581	3.1
192.10211	0.7
193.04895	4.6
196.91811	1.2
197.12759	0.6
220.09665	8.5
238.10783	0.8
238.14217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92444	0.5
57.07012	13.5
57.31037	0.6
58.19473	0.5
59.70787	0.4
67.00230	0.6
69.40145	0.5
72.04429	75.8
72.99772	2.5
76.24091	0.5
80.83660	0.6
88.02139	100.0
103.55112	0.6
132.95779	0.5
182.06314	16.8
189.17458	0.6
203.53847	0.5
213.66785	0.6
238.12524	15.7
244.17366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.164
Annotation	Penihydrone
Peak:m/z	Relative Intensity
54.12998	4.2
54.13250	3.9
55.05438	30.1
56.96501	29.2
57.06993	7.4
67.05418	46.5
69.03344	67.6
69.06974	22.1
71.04905	8.1
76.32865	4.8
79.05396	9.2
81.06982	45.9
83.04889	8.0
83.08527	9.5
91.05394	23.7
92.10940	5.8
93.06977	29.4
95.04877	6.8
95.08525	49.1
97.06445	26.4
97.16549	4.8
98.97499	21.7
105.07000	47.1
107.08537	28.6
109.06483	19.7
109.10104	76.3
111.08007	10.7
114.36549	4.8
116.97143	32.4
116.98558	24.8
119.08556	37.8
121.10082	5.1
123.08023	100.0
126.19141	4.9
131.08510	6.2
133.10065	42.0
134.99626	23.8
135.11647	6.0
137.09576	27.7
147.11610	17.9
152.96851	9.5
153.00705	7.7
161.09604	5.2
175.14804	21.1
175.98447	26.0
176.02351	6.5
185.13152	5.4
192.91180	7.6
198.18478	48.3
203.14287	49.4
210.92160	26.0
218.55150	5.3
221.15338	57.6
239.16203	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	239.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74786	1.0
52.14621	1.1
55.05432	5.0
56.96492	1.2
57.07008	17.5
57.93498	10.2
67.05414	4.8
69.06971	4.3
71.08543	6.8
75.94517	4.6
80.94787	1.3
81.06964	5.8
83.08540	5.0
85.10093	2.5
90.75119	1.2
93.95572	2.7
95.08532	6.2
98.96075	1.9
98.97487	2.5
109.10141	1.2
115.62704	1.2
116.97170	100.0
116.98476	3.9
131.99513	20.8
134.95796	2.5
134.99609	9.1
139.98776	5.3
143.14026	1.2
148.96169	7.5
152.96898	36.6
153.00648	1.3
157.97435	6.5
170.97942	9.2
175.98500	65.6
176.02277	1.7
183.63251	1.2
193.99576	2.1
194.03386	2.3
195.11429	1.5
198.18497	35.0
199.00053	8.1
204.91418	1.2
210.92130	2.0
231.12332	1.1
239.08743	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	241.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00235	0.8
55.05238	0.7
55.05457	9.3
56.96498	9.8
57.07009	4.1
59.04940	1.5
67.05446	9.0
69.03349	30.0
69.06642	1.3
69.06990	20.5
71.04896	1.8
72.09978	0.7
79.05418	6.1
81.06981	15.1
83.04908	13.4
83.08538	9.7
85.06466	9.7
86.09628	5.5
87.04404	8.7
91.05379	6.2
92.10490	1.0
93.06976	27.2
95.04904	3.3
95.08525	13.7
96.08080	0.9
97.06477	8.6
98.97514	90.6
99.08035	3.3
101.05968	7.0
105.06988	1.3
107.08533	8.4
109.06463	4.4
109.10099	3.5
111.08028	24.1
114.09121	40.0
115.03886	5.4
115.07501	1.8
116.98572	100.0
117.06968	1.4
119.08533	3.3
121.06451	4.6
121.10102	3.3
123.08057	1.3
123.11652	1.1
129.05438	6.1
129.09094	9.8
133.10104	4.4
134.99628	78.1
135.08015	1.5
135.11668	4.5
139.07556	4.1
140.00200	3.1
141.67358	0.8
143.07019	3.8
148.22133	0.9
149.13239	3.4
151.11174	5.3
153.00696	17.2
157.08562	5.2
158.01213	11.4
159.11690	4.8
176.02264	3.9
177.00645	9.1
177.12723	4.4
182.15401	4.4
185.07982	1.0
195.01791	7.4
195.13805	6.4
223.13248	0.9
239.77336	0.9
241.14305	27.1
241.19078	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	241.1545
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
52.49565	0.3
52.50835	0.3
54.81982	0.3
58.06536	33.2
70.06509	4.1
72.08062	0.5
82.42964	0.3
84.08069	16.2
85.06474	0.4
88.69751	0.3
98.05980	0.4
98.09631	2.2
98.97507	1.2
101.09052	0.3
114.05462	0.5
116.06971	0.3
116.98536	0.6
121.12808	0.4
126.05494	0.4
128.10680	6.6
144.10159	1.8
168.10219	1.3
196.09663	8.2
213.15921	0.4
241.15421	100.0
259.84985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1544
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
51.75909	0.3
58.06533	30.8
59.40985	0.3
70.06178	0.5
70.06512	5.3
72.08060	0.3
79.18620	0.3
81.03325	0.8
84.08066	15.4
92.64508	0.4
98.09628	1.8
100.11205	0.7
104.10661	1.7
114.05481	0.4
119.02845	0.4
126.05483	0.5
128.10689	5.4
144.10162	2.1
168.10185	1.5
186.03233	0.4
196.09659	8.5
241.15421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93460	3.6
56.96506	12.0
62.26199	1.3
72.93705	3.3
82.52115	1.4
86.09644	1.7
89.93945	2.1
90.94762	2.0
98.97514	29.1
99.97813	2.7
102.06123	1.3
112.03658	3.5
116.98567	30.6
117.98904	3.1
121.10064	1.4
124.03931	3.0
125.96061	2.3
134.99611	29.7
135.99962	3.8
149.96045	2.5
153.00659	3.7
153.05185	8.9
173.01250	2.1
177.00620	6.2
195.01697	1.6
201.00713	2.5
219.96667	2.0
224.08842	6.2
242.09933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06734	0.9
57.07012	18.3
58.02901	9.3
59.93037	1.7
61.21633	0.7
64.01084	0.6
71.08544	6.4
76.39780	0.7
77.94054	1.0
81.06976	0.9
83.08503	0.9
83.28100	0.8
84.04436	0.9
85.10113	1.8
88.07553	7.2
95.08495	1.0
98.97510	6.1
100.11200	1.3
102.09112	15.9
114.37572	0.8
114.95621	1.3
116.10684	6.9
116.98581	8.5
117.98878	1.2
118.96712	24.1
130.12265	1.7
132.96634	1.6
133.99043	4.1
134.99635	7.8
136.00032	1.5
136.95381	1.1
142.15894	5.0
153.00677	1.9
154.96461	8.0
168.63162	1.0
172.97565	3.8
177.98045	12.9
186.22144	1.3
198.42180	1.0
217.81734	0.7
222.05701	0.9
242.24744	100.0
242.28259	8.9
257.34283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06999	2.7
58.06532	2.7
64.58134	1.1
74.09609	1.9
81.31786	1.2
84.02818	1.1
100.10560	1.9
100.11183	27.0
116.98555	2.3
128.14301	2.3
130.15874	7.3
134.99637	2.3
142.15884	78.9
153.00549	1.4
180.52492	1.1
184.20586	9.7
186.22130	22.7
242.28369	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96497	82.9
60.92849	44.4
62.44747	40.5
71.92899	72.3
72.93676	100.0
82.75870	48.2
98.97505	49.9
116.98592	54.6
189.00583	57.3
243.07245	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03871	0.6
55.01808	0.6
55.05443	1.8
55.21368	0.2
55.93454	0.3
56.96487	1.7
57.03372	0.5
57.07014	0.3
59.58304	0.2
65.03863	3.0
67.05425	2.8
69.03348	1.1
69.06956	0.3
70.06493	0.4
71.04887	0.4
71.92918	0.2
72.08085	0.3
72.93700	0.4
79.05398	1.3
81.03310	0.5
81.06974	6.5
83.04891	2.0
84.04421	0.3
84.08080	0.4
85.02823	1.5
85.06446	0.5
86.09625	0.6
91.05403	0.7
93.03284	0.3
93.06968	0.6
95.01218	0.4
95.04894	3.5
95.08527	0.6
97.06461	0.4
98.09610	2.0
98.97517	1.7
99.04394	0.4
99.08017	1.7
100.07545	1.9
100.10170	0.3
100.97134	0.5
105.04430	0.4
105.06982	1.3
108.02030	3.4
109.02808	0.7
111.04381	3.6
116.10661	2.0
116.98557	2.3
118.98205	0.5
118.98980	0.3
119.05042	0.3
119.08488	0.3
121.03925	0.3
121.10090	0.3
123.04356	0.4
123.08014	0.6
123.90962	0.3
125.06004	0.3
127.03931	0.6
128.07030	0.6
129.05482	0.3
131.08549	0.4
133.10095	0.4
134.99602	2.6
136.01503	0.4
136.99208	0.6
137.05945	0.6
139.03949	0.3
140.07001	0.4
141.05444	7.5
148.60089	0.3
149.01103	0.3
151.03883	100.0
151.04996	11.3
152.04240	1.2
153.00690	0.7
155.03394	1.4
163.30586	0.3
173.01178	0.4
183.02895	0.3
198.14854	7.6
201.00696	0.4
207.13844	0.4
226.14330	5.5
243.17067	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0873
Annotation	Lumichrome
Peak:m/z	Relative Intensity
53.03890	0.4
54.81672	0.7
55.46984	0.4
56.96494	0.6
66.58932	0.6
92.10982	1.4
103.05389	2.6
109.64788	0.5
118.06509	1.0
130.06508	5.1
134.99614	0.9
135.13789	0.6
136.12640	0.5
145.07596	14.7
157.06305	3.9
157.07516	1.1
170.07100	12.5
172.08658	81.2
174.10243	2.1
190.09708	3.6
197.08154	1.0
198.06587	31.6
199.09683	0.6
200.08139	7.4
210.40747	0.5
216.07646	61.7
217.07903	0.7
218.09276	0.8
243.08714	100.0
244.06940	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	243.0975
Annotation	Thymidine
Peak:m/z	Relative Intensity
51.28067	0.2
51.72849	0.2
53.03892	0.3
54.03394	0.6
54.81391	0.2
55.93458	0.5
56.04958	1.0
56.96497	0.5
57.03356	0.4
64.33013	0.3
69.03353	6.7
71.04902	3.1
71.92897	0.6
72.93690	1.7
73.02826	4.2
81.03340	4.1
82.02845	1.8
84.04427	5.9
86.09615	0.6
89.93985	0.6
90.94735	0.6
99.04385	7.8
109.03956	5.1
110.02348	16.3
110.03108	0.6
117.05433	8.3
127.04996	100.0
128.04486	0.3
130.06186	0.2
134.99620	0.3
145.96541	0.3
149.96123	0.5
150.96877	0.3
163.97565	0.3
164.33124	0.3
165.99139	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81609	0.3
55.93461	0.4
64.91393	0.2
69.32410	0.2
72.73193	0.2
72.93706	2.2
82.07320	0.2
82.99773	0.8
84.08044	0.3
90.94757	2.3
91.06018	0.2
91.84663	0.2
101.00809	6.1
108.95827	1.2
111.91473	0.2
112.05035	0.3
113.96352	0.4
119.01878	100.0
119.91457	0.2
120.01979	0.5
121.02299	0.4
124.02427	0.4
125.96069	0.3
126.19349	0.2
126.73776	0.2
128.95096	0.2
129.94476	0.2
131.01907	1.0
133.03423	0.4
137.02936	73.7
138.03067	0.3
139.03423	0.3
142.03488	12.7
143.01869	0.2
145.03419	0.3
148.97635	0.2
149.96077	1.2
151.04414	0.4
157.03404	0.9
160.04535	6.8
161.02928	14.7
167.97139	2.1
172.97665	0.8
173.02931	0.5
173.80380	0.2
175.04501	0.3
179.03979	33.0
180.04282	0.3
184.04517	2.3
185.02924	0.9
190.98750	0.3
202.05603	3.0
203.03973	1.8
221.05002	2.6
245.04932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15038	0.7
62.31787	0.7
68.56550	0.8
69.03342	1.2
86.99268	1.7
88.48166	0.9
97.02830	1.7
101.00795	13.3
102.00948	1.2
102.96812	3.9
105.00287	1.0
106.53931	0.8
115.02372	1.0
119.01876	100.0
120.01948	32.3
120.97855	2.0
121.01600	3.6
127.03855	3.5
131.01883	16.3
133.03435	4.5
137.02928	44.5
138.03011	18.1
138.98907	1.5
142.03502	7.9
143.01857	10.9
143.03603	2.1
145.03416	9.1
147.01381	1.1
149.02901	6.6
155.01875	1.8
157.03424	14.9
157.99408	1.3
159.05046	1.3
160.04514	2.2
161.02917	65.2
162.03067	5.9
163.04526	2.2
167.01897	1.5
169.03450	1.6
173.02925	15.8
175.04498	12.5
179.03926	16.3
179.49904	2.0
180.04120	12.2
184.04594	1.1
185.02914	27.4
187.04510	9.9
187.98076	0.8
191.04034	5.1
197.02905	1.9
199.04520	4.3
199.50031	1.8
203.04007	19.7
203.05713	2.3
214.96588	1.2
215.04019	4.5
217.05554	1.9
221.01715	1.2
221.05016	6.1
222.05174	0.9
227.03955	6.8
230.98012	0.9
233.05032	2.2
245.05028	23.8
245.07449	1.6
256.96738	2.0
263.02902	1.9
263.06149	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	245.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	47.6
55.05444	18.3
57.03366	7.2
61.67663	3.7
62.05230	3.8
67.05418	27.1
68.59319	4.5
69.03334	7.5
69.05833	3.9
69.06981	50.6
71.04910	15.5
72.93703	9.2
79.05407	64.9
81.06980	43.6
83.04905	17.7
85.06470	17.0
86.43954	4.0
87.53682	4.3
89.02303	4.3
90.94741	9.1
91.05389	23.2
92.10290	4.9
93.06965	100.0
95.04893	10.1
95.08539	40.1
97.06457	28.5
99.04427	13.0
102.96793	6.0
105.06966	32.2
107.04881	5.0
107.08535	87.3
107.26280	3.7
109.06470	17.0
109.10072	4.7
111.08015	5.9
113.03418	7.4
113.05955	4.7
118.03464	4.0
119.08543	9.0
120.97878	5.9
121.06464	17.3
121.10087	92.2
123.08021	6.5
130.07768	4.5
131.08511	6.0
135.11700	26.6
138.98958	10.1
139.11115	32.3
145.10074	29.6
145.43333	4.0
149.09604	9.6
159.09091	4.5
163.11136	45.5
165.81581	4.9
167.10612	15.0
169.08565	68.4
173.09512	4.2
181.12238	15.9
191.10652	5.1
197.73863	4.7
227.12758	20.9
245.13792	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03865	2.9
55.01812	21.8
55.05188	3.6
55.05449	100.0
55.93458	3.8
56.96486	8.4
57.03370	38.9
60.95768	2.5
63.13488	1.5
63.42722	1.4
64.69424	1.6
67.05423	30.9
69.03326	9.1
69.06997	23.4
70.06503	1.8
71.04900	4.4
72.12275	1.7
72.58842	1.9
72.93698	21.9
79.05402	33.8
81.06966	37.3
83.04893	9.5
83.08535	56.6
84.64618	1.5
85.06463	8.2
86.09615	7.8
88.03878	1.9
90.94769	24.2
91.05381	9.9
93.06977	22.4
94.37449	1.9
95.04890	3.3
95.08516	13.1
97.06442	8.0
97.09479	3.5
97.10095	84.7
99.04391	2.8
101.09544	1.9
102.96800	9.8
105.06945	7.6
107.08534	37.9
108.95797	9.7
109.06455	7.2
109.10097	7.9
111.08015	3.8
113.03415	10.8
117.06921	2.2
119.08544	2.4
120.97825	18.4
121.06448	3.7
121.10081	8.0
123.08022	3.4
125.09586	60.2
131.08505	3.6
133.06393	1.7
134.99554	1.9
135.07999	8.0
135.11652	6.6
138.98915	17.0
145.10092	4.2
149.09570	3.5
149.96063	9.4
155.08495	1.9
156.99966	3.3
158.09596	7.3
160.07547	2.6
162.00552	1.7
163.11142	11.2
167.10609	2.1
167.97099	13.4
169.08501	15.3
172.97708	3.8
173.09657	2.3
181.12155	2.5
189.09590	2.3
189.11183	36.1
191.10548	2.3
209.11656	2.5
227.12660	15.5
245.13832	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	245.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	0.9
55.05440	2.9
55.93458	0.9
56.96509	4.1
57.04495	3.8
60.95786	0.6
67.05425	1.8
69.03336	0.5
69.06985	10.7
70.02858	0.6
70.06504	2.7
71.04925	1.1
71.92892	0.6
72.08072	18.3
72.93700	7.6
73.01053	7.1
73.02843	0.9
73.06445	0.7
79.05401	2.2
80.04915	0.7
81.06958	1.1
83.04904	0.9
84.08073	0.7
85.02816	1.2
86.05988	0.8
86.09628	52.6
87.04405	0.6
87.05549	0.5
89.10716	1.0
90.94739	5.3
91.05374	1.1
92.10883	1.1
93.06972	1.2
95.04985	0.5
95.08530	1.1
95.34822	0.5
97.02819	0.8
97.07628	0.6
97.63058	0.6
98.05983	3.3
98.97507	0.7
99.04376	0.6
101.00536	100.0
102.96797	3.6
103.10369	0.5
105.06956	1.0
105.09415	0.5
107.04909	0.7
107.08530	0.6
108.80043	0.5
108.95811	2.7
109.02779	0.5
109.06479	1.0
113.03429	4.8
113.96365	0.5
114.03722	2.3
114.10247	8.6
115.08656	2.8
115.94528	0.5
116.98577	1.9
117.03313	1.1
117.06898	0.5
119.01889	1.1
119.08527	0.5
120.97849	3.8
124.03887	3.5
124.07565	1.9
128.11798	14.6
129.10202	5.3
130.03178	1.0
131.08588	0.6
131.97418	0.5
132.10188	0.7
134.05899	0.8
134.99646	0.8
137.02914	0.8
138.98897	6.0
139.07573	0.7
143.00124	0.8
145.02789	0.8
147.08046	0.5
149.96077	2.1
150.96909	0.6
151.03912	0.6
151.78140	0.5
152.01434	0.5
156.99950	1.1
161.01186	2.3
161.02931	2.2
167.97176	5.5
171.09473	10.6
172.07867	27.4
172.97685	2.3
177.05475	0.9
189.10547	4.1
190.98708	0.9
199.00935	0.6
203.02214	0.8
209.11748	0.6
214.10049	3.1
228.11655	3.6
245.14256	27.0
245.18472	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	245.1859
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
53.00241	0.4
55.05450	0.5
55.93460	1.2
55.98384	0.2
56.96500	1.7
57.03372	0.3
58.06528	0.6
67.05424	0.3
69.03335	0.3
69.06985	18.4
70.06502	1.2
71.04911	0.3
72.08067	0.6
72.93705	3.8
81.99829	0.3
84.04422	0.6
84.08062	0.6
85.02824	1.3
86.09626	100.0
89.93919	0.3
90.94754	4.0
91.05394	0.5
93.06951	0.3
95.04897	0.4
95.08549	0.3
98.97485	0.6
100.07529	0.3
102.96808	2.1
108.95816	1.9
113.03433	1.7
116.98583	0.6
119.01881	0.6
120.97836	2.7
132.10188	1.7
134.99658	0.6
138.98900	2.7
148.03636	0.3
149.96094	1.9
156.99997	0.6
161.02950	0.5
167.97147	2.6
172.97708	0.7
181.07635	0.4
190.98792	0.5
199.18056	1.3
245.09340	0.4
245.18555	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	245.1859
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
54.49743	0.3
54.86857	0.3
55.01803	0.4
55.05455	0.9
55.93442	0.4
56.96487	1.5
60.04445	0.5
67.05418	0.9
69.03341	0.4
69.06982	1.0
69.76118	0.4
70.06499	2.0
72.04425	0.7
72.93697	3.1
79.05409	2.5
81.06974	1.4
83.04893	0.7
84.04443	0.7
84.08047	0.9
86.09628	100.0
90.61700	0.4
90.94747	1.8
91.05393	1.9
93.06979	1.9
95.04916	0.6
95.08524	0.8
96.04404	0.7
102.96805	1.9
103.05354	0.6
103.12151	0.3
104.05709	0.6
105.06974	0.7
107.04882	0.6
107.08517	1.5
108.95818	0.7
109.06516	0.6
113.03436	1.4
114.05531	0.6
116.98615	0.7
120.97850	3.3
121.10077	0.5
131.08582	0.4
131.97473	0.5
132.10178	2.6
138.98933	2.5
149.96066	0.5
156.99927	0.5
161.02922	0.7
161.44592	0.4
167.97141	2.7
172.97610	0.6
199.18092	0.7
209.10243	0.4
227.11423	0.7
244.14076	0.5
245.18607	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	245.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81811	1.2
55.05452	23.0
55.93454	9.6
56.96503	10.2
64.23441	1.2
69.71363	1.7
70.06496	2.7
71.04937	1.4
71.92904	2.1
72.08058	2.2
72.93700	35.6
73.29708	1.3
73.94493	1.8
83.04884	3.2
83.08539	12.2
84.04417	1.7
84.91331	1.3
85.02789	1.2
89.93984	1.6
90.94751	35.6
94.45128	1.4
97.02830	1.8
98.97508	2.2
99.30075	1.5
100.07548	2.0
100.11183	100.0
101.05952	7.0
102.96776	5.8
107.94933	1.7
108.95808	17.7
111.04401	3.3
113.03432	11.6
113.96376	5.1
116.98592	2.5
117.13805	1.7
119.01859	8.3
120.01934	2.2
120.97854	12.9
125.96090	2.8
129.05463	1.5
131.97385	7.9
132.08078	1.5
134.99565	2.1
137.02942	5.6
138.18613	1.6
138.98924	14.8
140.10707	2.1
143.71327	1.5
149.96133	14.5
150.96843	1.8
156.99976	6.4
157.03496	2.3
161.02924	3.6
167.97130	23.9
172.97659	8.9
175.04459	1.7
182.15332	5.1
185.02898	5.3
190.98711	3.0
203.02206	1.8
203.04008	6.5
209.16428	5.9
221.04893	1.7
245.16089	1.9
245.18523	34.4
247.14764	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	245.186
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.01792	0.7
55.05442	2.4
55.93470	1.2
56.96506	5.0
57.03373	0.9
67.05423	2.6
69.03338	1.0
69.06976	1.2
70.06496	1.2
70.17719	0.5
71.04894	2.3
72.08076	1.0
72.93700	9.5
79.05388	2.3
79.40074	0.7
81.03320	0.8
81.06963	1.3
83.04895	4.9
84.04455	0.6
84.08043	2.1
85.02824	3.3
85.06462	0.9
86.09627	100.0
88.98011	0.5
90.94745	8.1
91.05405	2.3
93.06956	2.3
95.04887	0.9
95.08539	1.3
97.02798	0.7
97.06482	0.6
98.97500	1.0
102.96806	4.8
105.06976	1.1
107.08521	2.3
108.95815	3.5
109.06461	0.9
113.03471	2.0
113.96345	0.8
116.98563	0.9
119.01884	2.3
120.97849	7.1
123.08028	0.7
125.96112	0.8
131.08566	1.1
131.97394	2.3
132.10153	2.8
134.99596	1.0
137.02934	1.0
138.98920	10.6
143.00116	1.3
145.10045	0.8
149.09569	0.8
149.96024	5.2
156.99994	2.7
161.01106	0.8
161.02995	1.9
167.97104	9.3
172.97708	2.2
177.00661	1.0
177.05464	2.1
190.98709	1.4
199.18019	2.4
245.18544	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	245.1859
Annotation	Ile Ile
Peak:m/z	Relative Intensity
51.11161	0.3
53.34873	0.3
55.93472	0.4
56.04962	0.4
56.96490	0.7
57.06977	0.4
58.06540	0.4
59.58796	0.3
65.70226	0.4
67.05411	0.6
69.03368	0.4
69.06987	16.7
71.04898	0.8
72.08067	0.5
72.93701	2.8
79.05407	1.4
81.06956	0.6
83.04865	0.4
86.09627	100.0
90.94757	2.4
91.05390	0.6
93.06963	0.6
95.04910	0.9
99.04379	0.6
102.96828	0.7
107.08562	0.8
109.06467	0.5
113.03429	0.5
120.97877	1.8
124.03927	1.6
132.10158	0.8
138.98940	2.0
161.02957	0.6
167.10648	0.5
167.97136	1.8
172.97624	0.6
245.18495	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	245.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27827	1.0
55.05453	22.7
55.93458	7.8
56.96503	10.7
57.03363	1.3
57.07002	1.4
70.06516	3.4
71.55766	1.2
71.92909	2.1
72.08060	1.6
72.93708	24.5
73.94475	1.6
81.03343	2.2
83.04899	6.1
83.08547	13.8
84.04399	1.5
84.08042	2.4
86.06009	1.5
89.56023	1.3
89.94004	1.6
90.94759	28.6
98.97534	6.6
99.04401	1.9
100.07565	7.7
100.11189	100.0
101.06007	4.4
102.46645	1.3
102.96804	6.9
107.83289	1.4
108.95833	12.2
111.04369	3.2
113.03452	11.3
113.96338	2.2
117.13853	2.9
119.01868	13.7
120.01947	1.9
120.97851	9.1
125.96097	6.3
127.03829	1.6
128.98654	1.4
129.05397	2.1
130.06573	1.6
131.01898	1.9
131.97397	2.9
134.99617	2.2
137.02890	2.7
138.03082	3.0
138.98918	17.3
139.08704	1.8
140.10683	6.6
142.03204	1.6
149.96097	12.7
149.97137	2.0
156.99974	2.7
161.02942	9.3
167.97124	21.6
172.97690	7.6
173.03044	1.6
175.04507	1.7
179.98016	1.6
185.02899	6.8
190.98769	5.9
203.03925	2.8
209.16490	6.5
227.03937	1.5
245.05057	2.6
245.18506	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	246.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81974	0.6
57.06780	0.9
57.07013	15.2
58.06517	1.0
67.45329	0.5
70.06143	0.9
70.06509	22.3
70.59010	0.7
71.08552	4.7
84.10054	0.6
85.10103	1.3
86.89445	0.7
88.07554	31.4
102.09135	6.3
106.08607	11.2
138.99359	0.6
202.21568	0.9
228.23196	10.0
246.24220	100.0
247.24535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1286
Annotation	H-GLU-VAL-OH
Peak:m/z	Relative Intensity
55.01800	0.7
55.05453	10.1
56.04976	7.0
56.96502	5.5
57.05759	0.8
58.06532	0.9
61.81749	0.6
69.03349	1.6
69.06985	8.2
70.06505	11.6
70.61530	0.7
71.04918	0.8
71.81505	0.6
72.04449	0.9
72.08072	100.0
73.02814	1.4
73.08374	1.2
84.04428	82.3
84.08056	5.9
85.02842	5.4
85.04791	0.9
85.08386	0.7
85.27899	0.7
86.09628	85.6
87.04399	0.8
87.05524	0.9
87.09957	1.4
88.03909	3.7
96.87993	0.8
97.02834	1.6
98.02349	1.2
98.97502	1.4
99.04399	1.0
100.03901	0.8
100.07543	0.9
101.02350	0.7
102.05477	11.2
112.07552	0.7
112.08698	3.4
113.03465	0.9
114.05494	0.8
116.07054	3.0
116.98562	3.7
118.08601	31.8
119.40366	0.7
122.07105	0.8
129.06514	0.7
129.10201	3.2
130.04982	5.6
130.08698	0.7
130.09714	4.7
130.10593	0.9
130.47923	0.9
132.10176	4.1
134.99590	4.7
138.09100	3.5
148.06055	5.3
153.00681	1.0
155.11780	0.8
160.06355	1.0
183.11256	19.7
184.09702	0.8
186.24580	0.7
193.00194	0.7
201.12245	0.9
209.07388	3.6
211.10652	0.9
229.11784	12.7
234.91721	0.7
247.07753	0.8
247.12863	6.4
248.08051	2.6
251.67490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1288
Annotation	H-Glu(Val-OH)-OH
Peak:m/z	Relative Intensity
55.05450	7.7
56.04959	4.3
56.11973	0.6
56.96485	0.9
59.04927	0.7
62.43296	0.6
69.06985	1.1
70.06485	0.7
72.08068	100.0
73.38763	0.6
80.96862	0.6
84.04427	88.4
84.08053	1.1
85.02837	0.9
86.09632	7.9
87.05502	0.7
88.03889	1.6
98.02325	0.8
100.07534	0.8
101.69761	0.8
102.05459	2.7
110.02322	1.3
118.08593	27.4
130.04950	9.4
131.80501	0.7
132.10164	0.9
137.02957	0.7
138.09097	1.0
141.10211	1.0
142.04990	0.7
156.10139	4.4
166.08571	0.8
180.43991	0.7
184.09645	16.8
201.00739	0.8
230.10106	6.3
247.12923	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	247.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79541	0.2
58.06527	2.4
59.07320	1.9
60.05576	1.1
64.81142	0.2
70.06510	36.6
71.04910	2.6
72.08071	2.1
79.75997	0.2
81.61758	0.2
84.04431	0.4
86.09620	0.4
88.07536	0.3
93.76215	0.2
104.10697	1.8
112.08680	18.8
118.08607	100.0
119.08958	1.7
130.09732	24.9
176.10280	0.3
247.17627	1.1
249.70139	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34851	0.4
51.23178	0.3
53.16099	0.3
54.91188	0.3
55.05453	7.4
55.15820	0.3
55.93473	0.4
56.04966	0.9
56.34634	0.3
56.96495	0.8
57.05732	0.5
58.06527	2.3
59.07307	2.6
60.05570	1.9
63.53946	0.3
69.03355	0.4
69.06979	0.7
70.06512	34.3
71.04904	2.5
71.05280	0.3
71.61266	0.3
72.08071	60.3
72.93693	1.0
73.02824	0.4
81.03307	0.4
81.29922	0.4
83.04885	0.7
83.12263	0.4
84.04430	22.3
84.08080	5.0
85.02821	1.0
85.71981	0.4
86.09627	3.1
88.03925	0.9
88.07504	0.7
90.94742	2.0
93.31856	0.4
97.02812	0.6
98.98354	1.0
102.05490	1.8
108.95796	0.6
112.07529	0.7
112.07868	0.5
112.08686	13.5
112.93115	0.4
115.05029	0.5
118.08605	100.0
119.08969	0.7
129.10216	0.7
130.04955	4.5
130.08711	1.6
130.09729	23.2
132.95795	0.6
146.05760	0.4
148.06017	5.6
149.96092	0.7
150.96838	4.4
151.97664	2.9
156.10156	0.8
160.95195	0.5
167.97141	0.8
170.47258	0.4
175.97609	0.9
184.09673	2.5
188.44365	0.4
193.98737	2.4
201.95543	1.0
219.96672	3.3
230.10118	0.9
247.04271	1.8
247.12810	5.3
252.43919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1127
Annotation	Valinopine
Peak:m/z	Relative Intensity
52.40578	0.5
55.01806	0.5
55.05447	1.4
56.96492	4.0
57.07019	0.8
64.34890	0.5
66.29069	0.5
67.05415	0.8
69.03339	1.4
69.06982	21.9
70.02856	2.5
71.01276	6.3
71.04916	1.0
73.02805	1.1
73.64532	0.6
74.97504	0.6
79.05408	1.0
81.03338	0.9
81.06962	2.3
82.02832	0.7
83.04887	0.7
84.08076	1.2
85.02810	1.4
86.09624	100.0
88.03905	0.8
89.02306	4.1
91.05399	4.4
91.96027	0.5
92.64507	0.6
93.06973	0.9
95.04894	1.3
95.08545	1.0
96.04422	7.3
97.02833	1.0
97.06433	0.6
98.02350	14.6
98.97504	4.0
100.03904	1.0
105.06976	1.2
107.04877	0.6
107.08553	0.7
110.02347	20.0
116.03410	12.7
116.98569	4.9
119.04902	5.6
124.03899	5.4
125.02270	0.8
132.10158	1.3
134.99612	4.4
139.07503	0.7
145.10005	0.7
147.04364	8.2
153.09036	0.7
156.10127	5.6
166.08586	11.3
167.06912	0.9
177.00642	1.4
184.09648	18.4
186.99020	1.4
195.10231	0.7
201.00784	1.0
202.10710	24.4
205.00154	1.1
212.09138	0.8
219.01796	0.8
230.10144	4.9
237.02791	0.7
248.11180	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	248.1127
Annotation	Valinopine
Peak:m/z	Relative Intensity
50.13520	0.5
53.00236	0.7
55.01814	1.0
55.05450	1.0
56.96491	4.0
57.03366	0.6
57.07001	0.7
57.46127	0.6
58.86216	0.6
64.33903	0.6
67.05427	2.4
69.03340	0.8
69.06986	36.3
70.02864	1.2
71.01267	9.9
72.08102	0.7
72.50380	0.6
73.06429	0.6
79.05421	0.8
80.01299	0.8
81.03300	0.8
81.06961	0.8
82.02853	1.1
84.08067	1.5
85.02821	1.4
86.05954	0.6
86.09624	100.0
87.09962	1.0
87.35976	0.6
88.03908	0.8
89.02321	4.8
91.05409	1.1
93.06966	1.3
95.04911	1.5
95.08535	2.7
96.04409	4.1
96.76240	0.6
97.02830	0.8
98.02338	18.7
98.05974	0.7
98.97508	4.2
100.03905	2.5
107.08509	0.8
109.10114	0.9
110.02349	18.8
110.24849	0.6
116.03402	23.5
116.98577	4.4
119.04888	0.8
120.08098	1.0
124.03905	7.1
128.03279	0.7
132.10155	2.9
134.04442	5.1
134.99626	2.8
136.06169	0.9
138.09113	3.1
145.10112	0.8
156.07970	0.7
156.10158	5.7
164.92918	0.8
166.08580	13.8
172.02878	0.7
177.00594	1.1
184.09628	19.0
202.10709	32.0
212.09117	1.1
219.01663	0.9
223.03729	0.7
230.10124	5.5
231.12048	0.7
236.16589	0.6
248.11113	2.5
264.33646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	1.7
56.96278	0.8
56.96501	13.7
57.06994	2.0
57.08059	0.8
61.78012	0.8
62.06004	2.2
65.03841	1.5
67.05427	1.8
69.03333	1.6
69.06986	37.5
70.02836	1.5
71.01270	9.1
71.04890	0.8
72.08072	0.9
73.06474	2.0
76.44975	1.0
79.05402	3.3
81.03315	1.1
81.06962	4.5
83.04894	1.2
83.08578	0.8
84.08060	4.0
84.95921	1.6
85.02783	0.8
85.06469	1.1
86.09625	100.0
88.03921	1.2
88.52599	0.8
89.02308	6.0
89.41311	0.9
91.05401	18.6
92.05708	1.0
92.10945	0.8
93.06973	4.8
95.04865	4.2
95.08528	2.1
95.47648	0.8
96.04400	3.4
97.02827	1.0
97.06441	1.1
98.02354	25.1
98.05968	1.0
98.97510	29.2
100.07545	1.3
101.16026	1.0
103.05424	1.0
105.06960	6.9
107.04878	1.2
107.08549	1.5
110.02351	20.4
110.06023	1.0
112.03926	1.1
112.11177	1.1
115.05415	1.0
115.07420	0.9
116.03406	21.6
116.98566	28.9
117.06993	1.8
119.04891	18.5
119.08523	6.0
120.05264	1.2
121.06464	1.0
124.03900	4.2
128.03398	1.1
128.24730	0.9
128.98611	1.3
130.07764	2.0
131.00089	1.1
131.08513	2.0
132.10217	1.3
132.68472	0.8
133.06427	2.0
134.04434	5.9
134.99620	19.3
138.09123	3.6
145.06351	1.1
145.10086	11.2
146.99620	2.2
147.04391	37.5
147.11658	1.6
148.04745	5.0
149.01134	1.0
149.05925	1.7
153.00729	1.0
156.10170	4.4
158.07318	0.9
158.99608	5.2
161.01131	1.0
166.08577	17.3
168.98088	1.1
173.09557	8.2
175.11148	3.7
177.00703	16.6
184.09668	23.6
186.99083	7.1
189.00919	1.5
191.02177	1.1
191.10707	1.0
194.07941	0.9
195.01759	1.8
201.09096	2.0
202.08771	1.5
202.10698	39.6
205.00217	4.2
208.32544	0.9
214.11200	0.9
219.01819	2.1
219.10162	3.3
228.06400	1.6
230.10149	5.8
248.08897	1.0
248.11240	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	249.037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52243	4.9
55.05465	6.9
56.04981	17.5
56.71686	4.2
69.03339	8.8
70.06507	23.1
71.06851	9.8
72.08065	51.3
73.02827	7.0
74.02305	6.7
74.05997	42.9
81.03333	6.6
84.04430	41.6
84.08057	8.0
85.02817	14.4
88.03895	29.1
95.43539	6.3
100.47914	5.6
102.05453	8.9
113.09002	6.5
118.08600	100.0
119.01875	8.5
119.08937	35.7
120.06526	11.3
132.10168	29.5
132.11192	10.1
133.03404	8.5
145.03476	8.3
151.97646	6.3
182.92499	5.7
217.01880	7.1
249.03574	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	249.1847
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
57.07015	65.8
76.15520	0.9
77.88699	1.0
105.82743	0.9
137.05952	20.5
175.11115	2.0
193.12215	72.4
219.29367	0.9
233.97273	1.0
249.18449	100.0
250.18576	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	2.2
55.01805	2.2
55.05452	35.4
56.96498	3.8
57.03379	8.7
57.07011	6.8
59.04923	1.9
65.03873	0.9
67.05430	68.5
69.03003	0.8
69.03347	5.0
69.06987	31.7
71.04908	15.3
71.08543	1.3
73.06475	1.3
73.62679	1.0
74.47655	0.8
79.05408	42.6
81.03332	1.6
81.06978	74.4
83.04899	1.8
83.08539	16.2
85.02814	1.6
85.06470	17.6
87.00733	1.3
91.05411	8.7
93.06973	47.7
95.04885	1.8
95.08533	100.0
97.02821	1.4
97.06461	9.6
97.10118	8.0
98.97521	1.8
99.08035	5.3
101.05950	4.0
105.06961	3.9
107.07866	1.5
107.08543	31.1
109.02802	1.3
109.06442	1.2
109.10103	28.7
111.08028	4.3
111.11666	1.5
113.09569	1.6
115.07493	3.6
116.98555	1.7
121.10101	42.7
123.11649	5.1
123.60244	0.9
125.09572	1.0
127.03936	0.9
131.04926	1.0
133.10106	1.1
134.99615	0.9
135.11664	25.6
137.13231	4.2
139.11165	1.4
145.68808	0.8
146.07257	1.0
146.12984	0.9
149.02318	1.5
149.13258	3.5
151.14751	1.0
158.99524	1.2
177.16348	27.7
193.05037	1.1
195.17445	9.7
213.18484	11.6
221.58260	1.0
231.19434	1.9
249.10953	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	250.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85509	0.3
53.35470	0.4
53.97206	0.3
54.61837	0.4
56.96514	2.9
57.03366	1.9
61.02829	0.5
67.01788	2.3
69.03336	0.7
69.06982	0.4
70.06498	0.8
81.03363	0.6
84.04446	0.5
85.02831	0.9
98.97506	0.8
116.98540	0.6
119.03571	0.6
134.99606	0.7
136.06165	100.0
137.04594	0.6
145.33672	0.4
150.96878	0.8
158.76128	0.4
186.02135	0.7
204.66608	0.4
250.09238	7.4
254.92461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81096	6.6
56.96265	7.5
56.96504	91.2
58.15458	4.9
60.77526	6.5
69.03325	5.5
72.08061	5.8
82.86504	5.6
83.44377	6.6
84.04424	11.7
86.09581	6.1
95.04890	8.9
98.97512	46.0
103.05293	8.2
116.98544	37.7
119.00145	7.4
120.56056	6.4
121.06413	15.7
134.99596	39.1
146.99626	6.9
149.01181	36.0
149.89838	6.1
150.96916	6.9
153.00641	8.9
167.02171	28.8
167.09351	6.4
187.15744	6.0
190.57671	6.7
191.02144	22.9
202.99911	7.5
209.03363	8.5
237.02629	7.7
251.08894	100.0
251.13625	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	251.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01241	0.9
54.05215	0.8
55.01806	0.9
55.05443	1.2
56.96501	8.9
67.05412	4.1
68.39903	0.9
69.03342	1.9
69.06974	1.3
70.06501	1.2
72.08069	1.2
72.78027	0.8
73.02824	0.9
78.42525	0.8
79.05397	2.3
81.03362	1.2
81.06954	2.1
84.04417	2.1
85.02825	1.7
86.09608	2.1
87.04372	1.0
91.05390	5.3
93.06986	1.9
97.02795	1.3
98.97510	1.9
103.05424	1.2
104.03370	1.7
105.06970	1.5
106.06528	1.7
107.04887	13.2
109.06470	1.0
116.98606	1.7
120.08052	11.5
129.06958	1.3
131.04912	1.6
134.99629	1.2
146.06041	1.8
149.01205	1.5
167.02275	1.4
206.08080	1.7
242.62587	1.0
251.12474	100.0
272.14893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54767	1.3
54.82278	1.8
55.05433	2.2
56.96499	16.8
57.03351	2.2
60.07437	1.7
69.03334	3.1
69.06980	2.4
69.63657	1.6
70.06517	1.9
71.04903	1.9
72.08061	2.5
77.19290	1.7
79.05380	3.5
84.04411	4.3
85.02798	6.9
86.09646	2.3
86.18761	1.6
91.05367	7.6
93.06967	3.5
95.04913	3.0
97.02789	2.9
98.97502	8.6
99.41479	1.7
105.06956	8.7
106.76823	2.1
108.04433	1.8
108.77438	1.7
116.60529	1.7
116.98560	8.3
120.08078	13.2
126.88930	1.5
134.99649	3.1
145.10123	1.8
149.01245	2.6
177.00583	2.1
210.06946	2.8
251.09743	8.0
251.12450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.109
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
58.46640	0.2
61.54416	0.2
63.92169	0.2
67.92968	0.2
69.03333	0.4
70.31894	0.2
71.04899	0.4
73.02822	1.5
81.03316	0.3
81.81049	0.2
82.30906	0.2
87.52730	0.2
94.03972	0.9
99.04372	1.2
103.25286	0.2
107.65813	0.3
110.99200	0.2
112.22008	0.2
112.77755	0.2
117.05468	1.8
119.03495	1.3
136.06160	100.0
137.04553	1.1
137.06479	0.3
137.40187	0.3
140.65541	0.3
183.88452	0.2
194.97600	0.3
252.10867	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03869	2.2
54.29454	0.9
55.01809	2.3
55.05452	12.5
56.15620	1.1
56.96498	8.6
57.03383	9.2
61.02858	11.0
66.60241	1.0
67.05415	1.6
69.03345	23.3
70.06506	2.9
71.01258	1.0
71.04889	2.7
71.68017	1.3
73.02818	6.5
73.06466	33.1
78.26809	1.0
79.05405	1.0
81.03341	14.4
81.06931	1.7
83.01244	1.2
83.04919	1.1
84.04410	2.8
85.02824	100.0
91.03851	4.7
91.05401	5.8
95.04880	1.7
97.02827	24.2
98.97526	1.8
99.04381	5.9
109.02831	10.7
110.05952	1.7
118.08586	1.9
119.04866	6.8
119.06116	1.3
120.08031	12.1
123.04382	10.1
127.03888	17.1
136.06163	5.0
136.07559	22.0
137.04562	29.0
137.06548	2.6
139.03848	1.2
145.04955	10.8
147.04346	2.9
162.05515	2.5
163.05969	1.8
163.08051	6.4
165.05408	12.1
176.61475	1.2
182.08107	12.5
188.07103	1.3
189.05815	1.6
194.08211	1.2
195.11273	1.9
200.74425	1.3
253.07637	2.7
254.10129	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	253.2161
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
55.05450	66.8
57.07026	6.8
67.05413	42.2
69.06987	100.0
76.56488	8.0
79.05390	29.1
81.06979	68.1
83.04893	6.3
83.08525	35.9
88.65160	5.6
91.05415	10.9
93.07002	21.6
95.08545	64.1
97.10109	6.7
105.06964	13.5
107.08564	7.6
109.10099	14.9
111.11715	7.5
119.08511	12.9
119.20570	5.9
121.10110	12.5
123.11749	7.4
163.42453	7.1
217.19533	9.8
253.21524	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	254.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	0.4
53.22144	0.3
55.01806	0.5
55.05450	0.7
56.96242	0.8
56.96503	14.9
57.03376	0.9
61.02865	1.5
65.03866	1.5
67.05441	0.8
68.15336	0.3
69.03348	2.7
69.06976	1.0
69.35857	0.3
73.02837	4.7
73.19668	0.3
74.97523	1.5
79.05397	0.8
80.04935	0.8
80.23446	0.3
81.03339	8.5
81.06960	0.6
83.01268	0.4
84.08060	0.5
84.95952	1.8
85.02824	0.9
87.04385	0.4
91.05408	100.0
92.05745	7.2
93.02024	0.9
94.06515	1.8
95.04897	0.6
96.01449	0.5
97.02817	3.5
98.97519	7.4
100.99100	0.6
105.02013	1.7
106.06508	0.6
108.04444	2.3
110.05972	0.7
111.04344	0.6
112.99057	1.7
114.01270	0.5
115.03905	0.9
116.98585	5.9
118.06507	0.7
119.00099	0.6
120.02531	0.6
120.08061	1.0
121.02838	1.0
122.05976	1.6
126.02460	0.9
126.85552	0.4
128.98576	1.9
131.00133	8.8
133.01657	0.6
134.05989	0.6
134.99631	4.1
135.00484	0.4
135.33569	0.5
136.07579	0.7
138.05505	0.5
140.02290	0.5
143.00146	1.5
144.08098	0.7
146.06104	0.6
146.99640	2.6
148.07594	0.6
149.01195	21.4
150.01555	0.4
152.04114	2.5
154.01970	0.8
160.07501	0.8
161.01152	3.3
162.05528	0.7
162.99121	0.9
163.02565	2.6
164.04105	3.4
164.07040	0.6
165.00763	0.5
167.02257	10.3
168.98064	2.0
170.99660	0.8
172.03018	2.0
172.07588	2.0
173.01202	1.9
173.04636	0.7
174.99127	0.6
176.07024	0.6
177.00679	0.7
179.02171	0.5
186.99124	8.3
187.02788	0.5
188.07074	2.1
189.00667	2.1
190.08615	0.6
191.02243	4.9
193.08629	0.9
201.00548	0.6
203.02281	2.4
205.00191	3.8
206.08119	1.8
207.01793	0.9
211.02789	1.6
213.04076	3.6
213.54425	0.9
218.08110	0.9
219.01752	2.8
222.04633	12.1
222.54793	2.8
229.03752	4.8
231.05144	3.1
233.55519	1.0
236.09454	0.5
237.02744	0.9
243.01776	0.5
254.10243	2.1
254.13620	15.1
267.05167	0.6
271.01251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96424	2.1
53.03880	4.9
55.01807	15.0
55.05450	16.5
56.96511	21.8
57.03362	3.8
57.07011	9.4
59.04934	8.9
65.03862	4.6
65.49965	2.2
67.05415	15.8
68.99706	3.1
69.03347	18.9
69.06985	11.3
70.06507	4.0
71.04910	3.4
72.08031	2.5
72.93715	2.1
75.10473	2.1
79.05416	73.2
80.04947	3.9
81.03310	9.8
81.06976	33.2
83.04900	42.1
83.08547	4.5
84.08051	4.7
85.02832	12.2
85.59796	2.2
86.03478	3.4
89.12556	2.3
90.94740	3.8
91.05409	31.3
93.03331	2.4
93.06958	14.9
95.04892	21.6
95.08575	3.9
97.02800	3.5
97.06456	31.4
98.97511	4.4
99.04412	3.4
101.05969	4.9
103.05408	3.4
103.62092	2.6
105.06971	34.5
106.06464	2.7
107.04904	62.0
107.08550	38.9
109.06477	60.2
109.10123	5.6
110.07141	5.6
111.04398	12.7
111.08014	15.2
113.05936	2.9
115.05334	4.3
116.98571	9.1
117.05630	2.9
117.06961	4.8
119.08523	5.0
121.02828	5.4
121.06440	14.1
121.10095	11.9
123.04404	4.0
123.05479	2.7
123.08015	4.9
124.03915	35.0
125.05950	38.5
125.09576	9.6
127.03847	5.4
129.05399	2.7
130.07732	3.8
131.08566	5.2
132.08046	3.2
132.95790	12.0
133.06464	22.4
134.99615	10.0
135.04390	100.0
135.08017	28.9
136.07565	4.0
137.02289	4.4
137.05963	3.4
137.09558	3.6
139.07513	4.8
145.10075	23.6
146.99649	3.6
147.08005	4.4
149.09598	23.5
149.96098	3.0
150.96884	63.8
151.03848	4.8
153.05443	89.2
153.09044	12.5
161.05913	4.7
161.09645	3.3
163.02678	2.7
163.03885	15.7
163.11154	4.7
167.97195	2.9
171.06496	9.5
172.95209	3.7
173.09615	28.1
177.09073	4.1
179.06995	4.0
179.10640	15.2
181.04906	19.9
182.32271	2.5
191.10670	19.7
191.97176	15.6
199.06006	13.0
209.98152	13.1
210.57835	2.8
219.10266	7.6
237.11183	4.3
255.06349	19.5
255.12282	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	256.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34610	0.2
55.01811	3.2
56.96502	0.4
57.03372	6.4
59.04929	0.3
61.02859	0.7
67.77024	0.3
69.03355	2.3
71.01262	2.4
73.02833	4.0
80.04926	1.6
81.39488	0.3
85.02840	3.3
96.04396	1.3
97.02813	1.3
110.07101	0.8
115.03880	1.5
124.03909	100.0
125.47190	0.4
133.04950	2.2
135.04987	0.4
180.08067	0.4
182.09720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	4.6
56.96500	4.1
57.03362	0.8
57.07009	1.5
60.35735	0.6
67.05415	3.7
69.03345	1.2
69.06986	4.7
70.06485	3.1
70.95757	1.2
71.04874	0.7
72.08067	0.9
72.93697	6.2
73.93790	0.7
78.33908	0.6
79.05395	5.2
81.06969	3.6
82.06499	1.6
83.04906	0.8
83.08536	1.0
84.04439	1.0
84.08068	1.1
85.02831	1.6
90.94765	5.8
91.05398	3.3
93.06971	3.9
94.06497	4.2
95.04901	0.9
95.08528	2.8
96.08052	6.7
97.06487	0.8
98.97496	3.0
100.11227	0.7
105.06947	1.6
107.04881	0.8
107.07298	1.4
107.08527	1.8
108.08044	4.0
108.95778	2.5
109.06488	0.8
109.08856	0.9
110.09637	0.9
115.05383	1.0
116.98579	3.3
117.03411	0.9
117.06990	0.8
119.08474	0.9
119.13300	0.7
121.10093	1.2
122.09615	3.4
124.03860	1.1
124.11192	1.2
127.03872	1.7
132.95792	14.1
134.99632	3.2
137.05917	1.4
139.01814	4.5
146.65958	0.8
149.05975	0.7
149.96071	3.6
150.96869	51.8
165.06984	1.6
167.97122	5.4
168.97891	4.5
172.95180	1.4
173.98500	1.0
180.08009	1.0
182.09618	3.9
191.97136	11.7
201.00380	0.8
209.98230	8.2
214.98657	1.3
219.01663	0.8
220.16933	23.3
228.10152	1.2
238.17970	29.3
256.11066	1.5
256.19012	100.0
257.19006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2633
Annotation	Palmitic amide
Peak:m/z	Relative Intensity
55.05444	1.8
57.06785	0.7
57.07013	14.4
64.33416	0.7
67.05425	1.0
69.06978	1.7
69.75702	0.6
71.04911	0.9
71.08530	4.1
72.04414	4.7
73.30204	0.6
81.06973	1.2
83.08575	1.0
86.09627	0.8
86.90788	0.6
88.07555	1.2
89.05948	1.1
92.63988	0.8
93.61347	0.7
95.08488	1.0
100.07536	0.9
101.17977	0.9
102.09114	6.0
106.17402	0.8
116.10671	9.5
118.34866	0.8
130.12241	4.6
199.65137	0.9
256.26285	100.0
257.26648	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	256.2996
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
55.05438	0.6
56.27257	0.4
57.06768	0.6
57.07008	9.8
58.06523	2.8
60.08094	35.8
63.40461	0.4
64.78218	0.5
65.29333	0.5
66.49583	0.5
69.06983	0.6
69.16516	0.5
71.08552	4.5
85.10114	2.2
99.63970	0.5
100.25311	0.5
101.97718	0.6
103.68221	0.5
120.35577	0.5
134.58319	0.5
144.70596	0.5
152.99524	0.5
217.28673	0.6
256.29932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	5.0
54.25134	3.8
55.01811	9.7
55.05444	29.9
56.96506	10.2
57.07005	5.3
58.57611	4.9
67.05412	33.3
69.03337	24.9
69.06982	19.5
70.06507	9.0
71.04879	8.9
72.08073	6.2
79.05399	32.9
81.03350	5.1
81.06966	77.2
83.04892	56.9
85.06454	8.0
86.09621	9.8
87.00188	4.7
91.05420	48.2
93.06969	41.7
95.04887	27.5
95.08511	22.3
97.00747	4.9
97.02828	5.6
97.06454	20.6
98.97491	10.3
101.05945	61.4
105.06972	62.0
107.04885	8.8
107.08546	33.7
108.12429	5.4
109.06457	58.3
111.04389	8.1
111.08022	10.8
113.05951	5.4
113.70142	4.4
116.98523	9.6
117.06979	7.8
119.04897	30.5
119.08548	45.1
121.00714	7.5
121.06454	12.0
121.10095	42.2
123.08018	10.6
127.07478	5.7
129.05502	33.8
131.08516	10.0
133.06447	18.1
133.10103	31.0
134.99658	9.4
135.07957	7.4
135.11699	5.3
137.05943	19.7
137.09578	8.4
139.01822	60.9
142.07738	10.8
144.02263	7.5
145.10138	8.2
147.04378	32.9
147.11679	34.8
149.09584	100.0
150.96909	44.6
151.11137	7.2
151.97026	8.9
153.09209	4.9
155.07028	23.3
157.10063	10.8
160.08839	4.7
161.09598	8.1
162.03394	27.3
172.33975	5.2
175.11136	29.9
181.01622	5.3
186.99026	6.1
192.97432	6.4
193.12193	36.4
219.73846	4.5
227.58217	5.4
239.12730	19.6
246.80798	4.6
257.09607	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	258.0758
Annotation	Cyathocaline
Peak:m/z	Relative Intensity
91.66142	1.9
107.19090	1.9
145.05203	2.5
157.04980	1.9
161.79190	2.0
169.05188	40.7
186.05470	2.1
197.04672	90.0
198.05380	1.9
199.23976	1.8
201.04204	9.1
214.04936	46.2
215.05759	2.6
225.04160	10.7
242.04404	2.4
243.05235	4.3
258.07547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.11
Annotation	Glycerophosphocholine
Peak:m/z	Relative Intensity
51.31246	0.3
54.82059	0.5
58.01857	0.3
58.06528	0.9
58.52305	0.4
58.72069	0.4
60.08095	14.5
65.63110	0.4
69.03343	0.4
71.07275	3.4
71.94728	0.4
75.58959	0.4
80.59906	0.4
81.03303	0.6
84.08096	0.5
86.09629	33.0
98.98386	5.2
98.98912	0.4
104.10683	100.0
113.27110	0.4
118.08610	2.1
124.99965	36.6
125.04270	0.5
137.71112	0.4
139.02965	0.4
141.10214	1.8
184.07301	15.0
193.00238	0.5
217.60448	0.5
257.36139	0.4
258.08447	0.7
258.10980	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	258.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57996	1.5
60.08088	15.3
63.62061	1.7
67.40121	1.9
68.82230	2.2
71.07269	2.2
74.09623	25.4
75.09965	4.8
86.09626	34.0
92.98750	1.8
98.98413	2.8
104.10677	97.7
124.99969	41.2
140.06799	100.0
141.07152	31.4
145.03522	2.0
159.21471	1.9
184.07245	16.3
188.23068	2.3
207.21738	2.0
257.14713	2.5
258.10947	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	258.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74420	0.3
53.46437	0.3
56.04969	2.6
56.88823	0.3
56.96502	3.9
60.08103	2.7
60.12375	0.3
64.42514	0.3
64.79460	0.3
69.03345	0.7
70.06494	0.7
71.07304	0.5
72.08085	0.5
81.50822	0.3
82.06507	0.5
83.06036	0.4
83.06847	0.5
84.04432	27.6
84.08067	100.0
85.02834	1.7
86.09623	7.0
97.02811	0.8
101.10725	1.9
102.05504	0.3
104.10684	22.2
108.04433	2.7
109.04762	2.3
110.07117	0.4
110.97581	0.4
111.09151	1.4
116.98545	0.6
124.99963	7.7
125.07051	0.6
126.07428	0.7
128.98575	1.7
129.10202	57.5
130.04967	4.8
146.99617	2.4
149.02699	0.5
150.02704	0.4
165.00616	0.4
174.99084	2.9
184.07327	2.1
193.00153	9.1
195.11272	2.8
211.01241	0.6
223.10745	0.4
240.13423	1.5
241.09048	2.1
241.11606	0.5
258.11304	5.4
258.14471	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	258.2063
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
55.01810	0.7
55.05450	8.3
56.04963	1.0
56.96495	3.1
57.03369	2.8
58.06528	7.5
58.27287	0.7
60.08078	0.8
61.33407	0.7
67.05432	10.4
68.38826	0.6
69.06984	7.4
70.06144	1.3
70.06509	35.1
71.04916	1.1
79.05412	4.7
81.06973	19.3
82.06480	1.5
83.04890	1.5
83.08530	3.8
84.04417	1.4
84.08053	4.5
85.02828	0.9
85.06470	1.2
86.09609	3.5
91.05392	4.3
93.06966	4.4
95.04894	1.5
95.08529	17.5
96.08057	1.0
97.06455	1.6
97.10123	0.9
97.11477	0.7
98.09597	1.2
98.97491	3.5
100.11172	0.9
104.10677	3.1
105.06969	4.5
107.08543	4.4
109.06413	1.2
109.10087	2.9
110.09692	1.0
111.08004	1.3
113.05974	0.8
116.98579	4.2
117.06955	1.0
119.08528	1.6
121.10072	3.2
122.56340	0.7
134.99599	3.5
135.11676	0.7
137.05978	1.0
145.10037	1.0
146.99690	0.8
149.22037	0.7
153.00685	1.0
176.81805	1.0
214.08618	1.0
222.18492	38.6
230.11787	1.2
240.19533	90.6
258.11206	3.9
258.20596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96506	18.4
57.07015	30.8
58.06522	4.6
59.47778	2.2
62.06015	15.9
64.32935	2.5
71.08541	4.3
85.10098	2.8
95.04884	4.2
98.97495	6.1
105.03345	29.8
116.98591	2.9
118.98944	3.0
134.82353	2.4
134.99673	6.5
149.02324	9.7
155.06604	3.1
160.07475	3.2
166.29788	2.5
184.20572	21.1
197.01118	3.3
202.21634	86.6
215.02292	6.3
241.00058	4.5
258.27863	100.0
259.01263	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	258.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87811	0.4
54.17772	0.5
57.06774	0.8
57.07015	10.6
58.06523	1.2
61.11195	0.4
61.85027	0.5
70.06518	1.1
71.08546	3.8
72.08067	36.5
74.08117	0.5
74.66470	0.5
79.06067	0.5
83.71371	0.5
85.10124	1.1
88.07543	3.2
90.09116	25.5
136.80350	0.5
138.97807	0.5
182.66245	0.6
214.25272	0.9
258.27859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30519	0.6
54.81343	0.7
55.05445	2.8
56.96502	11.0
57.07014	30.6
58.06520	3.0
62.06023	15.4
63.88386	0.7
67.05408	3.4
69.06981	1.5
71.08549	11.4
79.05392	3.2
81.06965	4.2
85.10090	4.8
90.17480	0.8
90.28644	0.9
91.05399	1.6
93.06956	4.2
95.08503	1.8
98.97507	0.8
107.08540	1.1
116.98557	3.3
131.00139	1.5
131.08554	0.9
134.99631	4.0
135.11644	0.9
149.01219	7.3
154.30042	0.8
167.02238	5.1
167.07260	5.0
205.11607	1.2
216.62698	0.7
217.07428	1.7
240.26854	9.7
258.27856	100.0
259.12299	1.8
259.28076	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32868	0.4
56.04964	3.2
56.61811	0.5
56.96476	1.2
58.73773	0.5
62.33147	0.5
67.05412	1.1
67.92020	0.5
68.04908	0.7
70.06499	3.6
74.02351	67.8
83.06013	1.4
84.04426	100.0
84.08062	3.6
85.02843	1.3
86.09639	6.0
90.86404	0.6
95.04890	0.8
97.02835	0.6
98.97505	6.2
102.05455	3.0
113.05925	2.9
116.07054	0.9
116.98559	8.9
117.42525	0.6
122.09588	1.0
123.32504	0.5
127.03918	0.6
127.04953	2.5
130.04962	24.8
130.08603	16.1
134.69553	0.6
134.99614	7.6
136.22162	0.6
150.09117	16.3
153.00682	1.1
161.56404	0.6
169.08612	1.4
177.00674	1.1
195.01683	0.6
196.09669	10.2
202.63435	0.6
241.11723	0.9
242.10173	3.4
242.14801	0.9
259.10214	1.0
259.12823	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	259.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04963	4.1
56.96498	0.9
57.68152	0.6
67.05419	3.2
70.06503	3.3
74.02347	80.6
84.04423	100.0
84.08061	3.3
85.02822	3.5
86.09628	1.4
95.04886	1.6
98.97515	8.8
102.05446	1.0
113.05949	3.8
116.98570	8.8
120.30524	0.8
122.09624	1.4
130.04951	25.4
130.08621	15.5
134.99611	4.0
150.09137	17.5
169.08546	2.9
177.00665	1.2
177.98502	0.9
196.09644	9.6
242.10211	3.5
259.12891	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	259.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	3.6
56.96492	1.9
57.07008	1.1
60.05573	0.6
62.26075	0.4
67.05434	0.7
68.04950	0.4
69.06988	8.3
70.06504	1.9
72.08064	0.8
73.06468	1.1
74.00571	1.8
79.05414	2.4
82.06491	1.9
83.04916	3.8
84.08098	0.8
86.05984	6.9
86.09631	1.8
90.45752	0.5
90.46262	0.4
95.04895	0.6
95.08551	0.5
96.08063	9.2
97.02857	0.5
97.06451	1.9
98.05968	0.5
98.97511	5.7
100.07557	9.2
101.05949	1.8
105.06995	0.5
111.04384	5.7
114.09125	100.0
115.07544	0.7
116.98568	7.5
120.08068	0.5
124.05219	3.2
127.02146	0.5
128.07048	5.2
128.08176	2.3
129.05411	1.0
132.10181	2.0
134.99620	10.7
144.08051	0.5
145.08502	0.6
146.09239	1.0
151.03955	3.6
151.04948	0.6
152.04311	0.5
153.00670	3.2
154.12222	7.0
155.01591	2.4
158.01288	0.5
174.60672	0.5
177.00717	2.4
178.12268	0.8
186.99153	0.7
195.01797	0.7
200.12849	4.3
206.11728	0.7
214.14352	10.1
224.12874	0.9
237.93256	0.5
242.13849	5.6
259.16617	3.2
259.86383	0.5
265.05304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1604
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
52.31401	0.5
53.78001	0.5
56.04968	6.4
56.96497	8.3
61.02877	0.6
66.08184	0.6
68.39915	0.6
69.06981	4.3
70.06498	2.7
74.02344	6.2
75.05511	2.7
76.74033	0.7
83.05510	1.3
83.06019	45.4
84.04427	74.2
84.08066	2.9
85.02805	2.8
85.04739	1.6
86.09624	100.0
90.05487	1.0
98.97511	34.6
101.07063	5.5
102.05456	1.1
114.05524	1.4
116.98566	44.6
118.62866	0.7
128.98579	0.8
129.06561	3.9
129.10213	0.8
130.04944	1.1
132.10158	18.8
134.99622	35.6
135.06763	0.8
143.00121	0.8
143.11765	8.6
153.00690	7.6
157.13338	1.7
158.01236	1.6
171.11247	1.6
173.01221	1.1
176.02409	0.7
177.00685	7.3
189.00768	1.1
195.01736	6.3
196.14375	6.1
197.12796	12.5
200.13055	0.8
219.01729	1.4
225.12245	0.9
237.02718	1.0
242.14938	25.7
243.13361	12.1
249.45563	0.7
252.78406	0.7
260.13278	0.7
260.16077	0.9
261.27017	0.7
268.65839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31314	0.4
53.00209	0.5
54.71693	0.4
55.05458	0.5
56.96489	2.8
57.07012	17.0
58.06517	1.0
58.65915	0.4
61.87606	0.4
62.06011	0.5
70.06140	0.8
70.06512	23.4
71.08552	5.2
85.10098	0.7
86.01168	0.4
88.07553	30.1
94.46181	0.4
96.85974	0.5
102.09122	8.5
106.08615	12.9
116.98568	0.6
134.99646	0.5
172.94267	2.0
190.95340	4.2
201.67273	0.5
213.96889	0.5
216.23216	0.9
224.66350	0.5
227.02293	0.5
242.24728	10.5
260.25790	100.0
261.26279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96500	3.3
57.19988	0.2
60.29967	0.2
61.35038	0.2
64.48939	0.2
84.53737	0.2
84.95933	0.4
92.10992	0.3
98.97521	7.7
99.97841	0.4
101.00799	0.6
104.62061	0.3
109.43166	0.2
110.97472	0.3
112.16349	0.2
116.98583	7.9
118.08937	0.4
119.01884	13.0
134.99638	6.3
135.99977	0.6
137.02925	7.1
140.77492	0.3
143.00137	0.5
146.99692	0.5
153.00751	2.1
158.99779	1.2
161.01152	1.2
161.02989	0.4
163.34241	0.3
165.99561	0.4
170.99579	0.3
173.01207	1.6
174.31952	0.3
177.00906	27.3
182.99585	0.3
189.00731	1.2
191.02333	0.5
195.01913	1.5
201.00774	2.3
207.01656	0.5
217.04080	4.3
219.01971	36.8
220.02167	0.5
225.00742	2.2
237.02982	1.2
237.98763	0.5
243.01933	4.9
261.03015	100.0
262.03146	2.3
263.03494	0.4
279.00632	0.4
279.03644	0.3
284.04617	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1445
Annotation	gamma-Glu-Ile
Peak:m/z	Relative Intensity
56.04974	5.1
56.05215	0.7
56.96506	8.9
67.05402	0.6
69.06996	8.5
73.06455	1.0
73.42246	0.6
82.90370	0.7
84.04428	87.7
84.95970	0.8
85.02838	1.4
86.05987	2.5
86.09626	100.0
98.97510	11.1
101.08852	0.7
102.05471	1.6
110.97520	0.8
114.05489	0.7
116.98571	9.0
120.12051	0.6
128.98566	1.2
130.04956	9.8
131.00157	0.8
132.10170	26.5
134.99629	7.2
142.04973	4.5
143.00136	1.0
146.99617	0.9
152.10667	1.1
155.00165	1.4
161.01210	3.1
169.08553	0.8
170.11771	2.7
170.99615	0.8
173.01151	5.3
177.00632	5.9
179.02386	0.8
189.00717	1.6
191.02231	1.5
195.01782	0.9
198.11214	9.4
201.00673	1.4
207.01628	0.8
219.01755	5.7
237.02785	3.3
244.11682	5.4
261.14389	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	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
55.05437	29.2
56.54395	5.5
67.05433	82.1
69.06966	10.6
71.41081	5.6
77.75688	6.2
78.80202	5.9
79.05411	95.6
81.05611	6.4
81.06977	94.9
83.08537	9.5
88.71540	6.4
90.96072	5.7
91.05409	29.2
93.06964	100.0
95.08532	53.2
100.98906	7.0
105.06960	28.5
107.08533	59.9
109.10091	15.5
112.95646	5.9
117.17783	5.6
119.08537	14.0
121.10081	62.2
131.08589	22.9
133.10077	13.3
135.11642	45.5
137.53322	6.0
145.10123	22.9
149.13187	10.5
159.11620	10.8
161.13142	14.2
162.80322	7.3
163.14763	29.4
225.62984	7.9
243.21007	35.5
261.22089	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	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
54.06684	3.3
54.13854	3.5
54.81818	6.0
55.05441	20.5
56.96490	7.5
57.07006	5.4
60.58967	3.9
67.05408	45.4
69.06981	11.5
71.73634	4.4
76.88654	5.4
79.05402	76.5
80.67652	5.5
81.06985	47.0
91.05386	40.2
93.06973	100.0
95.04884	9.2
95.08543	32.7
97.20360	4.3
98.97500	6.2
105.06960	30.1
107.08524	78.9
109.10094	19.0
116.98556	7.3
117.06942	7.0
119.08498	23.2
121.10116	36.9
131.08527	18.8
133.10100	10.8
135.07986	9.2
135.11641	18.5
145.10052	7.0
147.11653	6.3
149.13202	10.5
157.03783	4.5
159.11603	7.4
163.14775	7.2
173.13307	9.0
179.68115	4.4
190.95300	5.6
211.08159	5.4
243.21008	11.3
261.22040	50.2
270.14148	4.2
274.87003	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	262.1185
Annotation	7360-09-0
Peak:m/z	Relative Intensity
50.85631	1.1
56.96497	9.3
57.04492	1.7
61.82303	0.9
62.38757	0.9
64.41548	1.0
67.50446	1.2
69.03339	1.8
70.06464	1.5
71.91304	1.1
72.08068	2.7
73.02840	1.0
79.05441	1.2
84.08035	1.1
85.02823	1.3
85.03948	17.9
91.05395	5.3
93.06941	1.2
97.02811	1.5
98.97521	6.0
104.99223	7.6
107.04894	9.4
107.08533	1.6
115.05370	2.1
116.98553	6.4
117.06966	1.1
118.06490	25.8
119.01894	1.3
121.02807	1.8
130.06490	28.0
131.08551	1.5
132.08052	44.8
134.99614	4.9
135.08028	1.8
135.48566	1.1
142.06516	6.4
143.07294	2.2
143.16452	1.1
144.08055	24.2
146.05984	92.0
146.99609	1.2
153.09167	1.2
154.06487	1.4
158.08415	2.2
159.09138	22.1
160.07562	1.8
161.01164	1.5
161.02885	1.3
163.07547	1.9
167.07106	2.1
169.07584	2.5
170.05962	22.0
171.09148	5.5
187.08675	2.8
188.07030	100.0
205.09724	13.5
216.11301	10.9
227.09111	1.9
244.10861	5.8
262.11798	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	262.2373
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
52.40682	0.7
55.43254	0.7
55.96518	0.7
57.07012	19.1
58.06518	2.9
70.06141	1.4
70.06511	34.9
71.08543	10.0
72.08092	0.7
84.84521	0.8
88.07553	51.6
88.08101	1.7
92.63983	0.7
102.08483	1.2
102.09119	30.0
102.11569	0.7
104.64826	0.7
108.23663	0.8
122.84846	0.8
132.10129	1.0
146.11736	1.4
156.17406	1.5
200.20064	85.5
244.22734	5.3
262.23706	100.0
265.38669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	0.6
55.05434	0.5
57.06735	0.6
57.07010	12.5
58.06524	0.9
61.88594	0.4
62.48817	0.4
70.06512	29.6
71.08537	10.3
72.04422	0.6
84.08041	2.2
86.09624	1.0
88.07555	33.9
90.06085	0.4
102.09122	1.8
104.07074	0.4
106.08604	4.9
107.38177	0.5
114.09123	11.5
118.08586	4.6
132.10173	39.1
150.11240	30.5
154.07217	0.5
186.18507	3.3
200.20078	2.5
218.21114	11.8
262.23712	100.0
263.23740	1.4
266.90674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	0.8
56.04716	1.0
56.04975	20.5
57.07010	15.8
58.06533	9.8
60.04443	3.4
60.72321	0.6
68.04962	1.2
70.06508	0.5
71.08559	4.2
74.05991	18.7
85.10107	3.3
86.05979	3.3
88.07552	79.1
92.10335	1.2
104.07035	1.1
118.08614	10.4
122.08094	8.2
133.60857	0.6
136.04305	0.8
149.58662	0.6
182.19147	0.8
200.20168	0.9
214.21623	80.8
215.22150	0.6
244.22632	3.1
262.23712	100.0
263.23926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44298	0.7
69.03349	1.3
70.89345	0.6
97.02813	4.2
99.04364	1.1
101.00800	9.3
113.00809	1.4
119.01870	75.2
121.01596	1.7
131.01863	30.3
133.03415	1.5
137.02925	31.6
139.02632	1.1
142.03508	1.4
143.01860	16.5
145.03423	4.3
149.02931	10.8
155.01866	5.7
157.03413	7.7
161.02916	100.0
167.01836	1.4
167.11603	0.8
171.04765	0.9
173.02916	28.5
174.98509	1.1
175.04466	4.8
179.00655	10.4
179.03925	8.0
184.04568	1.0
185.02916	18.1
187.04475	1.3
191.03979	16.6
197.02882	3.8
199.04449	1.1
203.03976	14.3
215.03979	3.2
216.99721	0.8
217.05595	1.2
221.01724	14.5
221.04999	2.8
227.00702	0.9
233.05051	1.7
245.01617	1.0
245.04987	6.5
263.02798	41.1
263.06033	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	263.1391
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
52.72334	0.2
59.16707	0.3
70.06512	38.1
87.91774	0.3
91.05400	0.7
93.06990	2.4
101.34914	0.3
103.05403	8.3
116.07047	51.6
120.08064	100.0
121.08414	0.5
125.09608	0.3
125.26781	0.3
163.09918	0.4
181.05066	0.3
198.29120	0.3
257.31497	0.3
263.13858	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	263.1487
Annotation	(Z)-3-Hexenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.40524	0.7
53.03885	1.0
55.01821	8.4
55.05452	100.0
56.05788	0.8
57.03374	11.0
57.07021	0.9
59.04942	1.1
67.05428	22.1
69.03349	8.2
69.06982	14.1
76.16777	0.8
78.13630	0.8
79.05407	25.1
81.06977	21.6
83.04911	7.9
83.08538	50.4
91.05407	5.1
93.06970	6.7
95.04910	1.6
95.08534	2.0
97.10100	91.1
98.10395	0.9
100.11046	0.9
101.09608	1.8
105.06977	3.5
107.08524	30.8
109.06474	1.8
109.10110	4.3
111.08047	2.2
114.09122	4.5
116.98599	1.0
116.99409	0.8
117.06977	3.8
125.09587	66.1
128.87746	1.0
135.08061	7.4
138.03459	0.9
143.10663	3.8
146.57460	1.0
153.09106	1.4
171.10120	5.4
186.05473	1.0
189.11186	42.0
208.80157	0.8
223.15402	0.8
225.81534	0.9
227.10492	1.4
227.12733	43.4
228.12927	1.2
237.27429	1.0
245.13797	30.8
245.16132	1.7
263.17221	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	263.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77464	0.1
58.06534	2.3
59.07313	2.9
60.05575	1.8
71.33611	0.1
86.05991	4.5
87.04395	6.4
104.07034	2.2
104.10672	3.2
106.27557	0.2
111.05527	1.1
117.51173	0.1
118.08604	100.0
119.08972	0.2
128.08157	1.6
129.06535	0.3
131.42833	0.1
146.09221	25.2
153.26505	0.1
254.98657	0.2
263.17090	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78655	0.2
58.06524	2.6
59.07316	3.0
59.08354	0.3
60.05570	2.1
68.04894	0.3
69.03341	0.3
72.08073	1.9
74.02360	0.3
84.04428	1.7
86.05981	5.4
87.04394	6.3
88.07545	0.7
104.07035	1.6
104.10664	0.4
110.46812	0.3
111.05524	0.4
118.08602	100.0
128.08180	0.5
129.06567	0.4
138.62558	0.2
141.56009	0.2
143.55695	0.3
146.09225	26.0
161.02911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.02209	1.4
52.16067	1.6
52.47453	1.5
53.00235	1.6
55.05450	17.3
57.07008	7.3
65.03865	2.2
67.05431	100.0
69.06989	18.5
69.90065	1.9
71.08546	2.6
79.05421	31.0
81.06978	95.0
83.08548	14.2
85.06469	2.1
85.10119	2.3
91.05403	21.0
93.06986	21.8
95.04858	1.7
95.08539	86.9
97.06448	7.2
97.10113	7.3
99.08009	1.8
105.06971	11.5
107.08539	11.9
109.10114	33.3
111.08012	2.4
119.08523	10.7
121.10116	13.7
123.11674	13.4
133.10112	10.4
135.11644	3.0
137.13246	3.7
147.11656	8.4
149.13283	2.1
151.14766	2.7
161.13261	9.4
163.14812	8.6
165.16388	6.9
175.14798	3.5
179.17950	2.4
189.16461	2.2
245.22589	17.2
263.23657	33.4
284.56509	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	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03887	1.5
54.81533	1.4
55.05456	17.1
56.51666	1.6
57.07016	11.8
67.05428	94.1
69.06992	16.3
71.08546	7.0
76.70196	1.3
79.05411	26.7
81.06976	100.0
83.04897	2.2
83.08518	15.4
85.06480	2.7
85.10104	1.7
91.05413	21.4
93.06973	26.3
95.04901	2.9
95.08536	79.6
97.06470	3.6
97.10121	1.5
99.08052	2.8
104.99219	2.1
105.06994	14.2
107.08521	14.2
109.10105	38.4
111.08004	3.4
119.08551	13.5
121.10069	11.2
123.11703	11.6
133.10117	9.5
135.11626	6.6
137.13200	3.3
147.11671	8.1
149.13260	3.7
151.14804	3.4
161.13255	8.3
163.14784	2.4
175.14822	2.3
191.69577	1.7
245.22647	20.7
255.16718	1.6
263.14716	12.1
263.23669	44.0
270.12106	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	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05457	24.2
57.07005	12.1
67.05427	100.0
69.06982	17.3
71.08540	4.3
75.90937	2.4
79.05410	23.9
81.06973	92.3
82.79700	2.2
83.08519	14.1
87.07233	2.2
91.05417	22.6
92.10210	9.5
92.25220	2.7
93.06977	30.7
95.08529	72.3
97.06465	5.5
97.10057	3.4
104.99202	13.9
105.06969	13.7
107.08517	13.0
107.22155	2.3
109.10108	39.1
111.08052	3.2
116.98605	3.4
119.08527	13.0
121.10091	12.2
123.08102	3.4
123.11638	11.4
130.27522	2.3
133.10089	5.4
134.48680	2.9
135.11684	5.0
137.13210	3.2
138.93491	2.9
147.11685	3.8
151.14777	3.9
154.50301	2.2
158.44359	2.3
179.17868	3.7
198.98872	3.7
245.22572	21.6
250.44978	2.5
263.23605	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	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.00254	0.8
53.27737	0.7
55.05451	16.5
55.09836	0.8
57.03355	1.1
57.07006	8.6
62.12764	0.7
65.03842	1.7
67.05426	95.9
69.06985	17.1
71.04874	1.0
71.08525	4.3
71.16027	0.7
79.05406	26.1
81.06973	100.0
82.33106	0.9
83.08533	10.5
85.06454	3.5
85.10072	1.7
86.12683	0.9
91.05411	19.4
92.10880	0.9
93.06967	24.0
95.04929	2.7
95.08530	76.2
97.06451	5.8
97.10089	3.9
99.08007	3.7
104.99236	2.1
105.06966	12.9
107.08517	13.1
109.09394	1.4
109.10103	35.6
111.08009	5.3
119.08546	10.6
121.10091	11.0
121.12715	0.9
123.08098	1.0
123.11628	8.0
133.10107	11.3
135.11661	5.2
137.13239	1.7
147.11606	6.4
149.13231	2.0
151.14804	4.8
161.13199	7.4
163.14752	3.6
165.16341	2.1
175.14723	3.8
189.16377	1.0
217.19482	1.2
245.22597	13.5
247.40457	1.1
263.23602	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.51057	2.3
55.05449	13.1
56.00991	2.5
56.12806	2.7
56.90164	2.1
57.07006	14.3
57.17743	2.2
65.03854	2.4
67.05431	100.0
69.06990	21.0
71.08544	3.9
79.05396	26.2
81.06979	94.6
83.08538	10.6
85.10094	3.1
91.05417	19.3
91.97269	2.5
93.06971	25.9
95.08537	76.5
97.06487	4.0
105.06976	12.7
107.08545	16.7
109.10110	34.0
119.08545	6.0
121.10104	11.6
123.08138	3.8
123.11694	11.1
133.10117	6.1
135.11707	2.9
137.13205	3.0
147.11656	6.1
149.13202	4.3
161.13210	5.9
165.16333	3.8
245.22507	12.1
263.23724	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05445	19.8
57.07007	8.5
64.86210	1.8
67.05429	100.0
67.16579	1.8
69.06995	14.7
71.08546	3.4
79.05389	28.0
81.06975	98.0
83.08546	9.9
85.10115	2.2
91.05408	18.5
93.06977	25.8
95.08529	93.2
97.06452	3.8
97.10107	8.2
98.97505	2.1
99.08009	2.4
104.99217	3.6
105.06947	11.9
107.08523	13.9
109.10091	33.0
119.08530	10.8
121.10068	12.2
123.11629	11.7
133.10092	11.0
135.11650	3.5
147.11662	4.7
149.13216	3.1
161.13226	10.8
163.14760	3.9
189.16362	2.7
245.22620	13.6
263.23569	37.3
267.00861	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	264.054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75547	0.8
53.88629	0.5
56.37371	0.6
56.87392	0.6
56.96500	100.0
61.47611	0.6
71.95146	1.0
72.70544	0.7
72.95937	3.2
73.07919	0.7
74.61746	0.8
74.97499	1.4
90.01379	0.7
91.38396	0.7
98.97517	12.0
100.78511	0.8
116.98550	11.5
134.99617	6.9
144.96750	1.3
167.03751	1.6
175.38518	0.7
176.03780	12.8
178.04169	0.9
178.05382	14.7
182.11572	0.8
183.03214	4.4
194.04828	10.1
196.06436	15.5
201.04297	5.8
204.03239	3.5
208.02809	3.3
208.49144	0.9
210.04324	1.4
214.41873	0.8
222.04330	34.4
226.03763	4.8
240.05368	37.2
264.05310	10.7
282.06323	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	2.0
56.04960	2.0
56.15270	1.0
56.20711	1.1
56.96494	1.9
57.03366	5.7
58.02885	1.1
59.03662	2.7
59.04921	1.0
60.04441	1.3
60.58120	0.9
61.02853	1.8
63.93212	1.2
67.10774	1.1
68.04956	4.9
69.03344	7.6
69.06988	11.9
70.06487	1.6
72.04406	2.0
73.02829	5.2
76.76872	1.2
81.03352	2.6
84.04423	6.4
84.08094	1.1
85.02828	16.9
86.06008	1.1
86.09629	43.4
87.03136	43.5
87.04399	2.2
88.03920	7.1
93.06989	2.0
97.02815	4.6
98.09625	19.9
99.04394	9.7
100.11175	2.6
108.04425	6.3
110.09618	1.2
114.05478	7.6
115.03902	2.0
119.01852	1.5
126.05486	7.9
128.10675	15.8
131.05756	30.6
132.10170	1.6
136.03957	1.7
139.06241	1.9
144.06561	5.2
145.90868	1.2
154.05002	1.9
164.10704	1.9
169.26826	1.6
173.03088	1.6
182.11752	26.8
185.02924	2.3
190.07210	1.5
199.01292	1.3
200.12785	100.0
210.11163	1.6
218.13846	15.1
228.12268	32.3
246.13329	56.2
264.14273	4.8
274.13193	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	265.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03892	7.1
54.52866	3.2
54.81711	4.1
55.01790	4.6
55.05452	6.8
56.96505	89.6
57.03361	25.9
61.01066	22.6
61.02838	9.2
69.03358	42.6
70.06496	8.5
71.61956	3.8
72.08050	4.8
73.02814	8.0
75.02628	14.5
78.57514	4.0
80.04911	5.4
81.03320	17.9
81.04440	8.0
81.06972	4.3
83.04886	20.8
84.04418	7.2
84.08035	8.0
85.02824	49.8
90.05442	7.0
97.02824	41.3
98.97504	49.7
109.02835	6.8
112.99053	14.9
116.55379	4.2
116.98581	36.3
118.05081	4.8
122.07101	100.0
126.05527	4.6
127.03870	6.6
128.98572	10.1
131.00127	29.0
131.05217	24.6
134.99611	25.7
144.02739	5.4
144.04752	21.1
146.99619	20.5
149.01166	7.9
149.06264	23.3
157.01578	4.8
158.99660	7.0
161.01187	8.3
175.02689	19.3
177.00655	17.6
189.00677	6.8
193.04424	7.5
201.00650	6.5
202.10886	4.8
219.01703	17.5
220.11763	5.5
223.03061	7.9
233.13692	4.8
237.02780	33.5
265.06641	37.7
279.03876	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	265.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	10.6
55.93472	7.6
56.96504	61.2
57.03369	14.8
61.02870	14.7
69.03349	19.3
70.06515	38.4
72.08059	73.8
74.30249	10.8
84.04420	8.8
85.02837	93.4
86.09610	14.0
86.99081	9.7
91.05391	21.3
97.02827	19.6
98.97511	20.2
106.40709	8.9
106.95869	9.6
116.98579	48.6
117.03384	33.1
121.02814	14.0
122.07105	76.6
127.03923	13.7
128.04793	9.7
130.06500	69.1
132.04411	13.3
132.08075	12.3
134.99660	13.8
144.04718	13.2
145.02806	83.6
145.04939	15.5
146.05896	10.1
149.05923	13.6
157.07613	53.9
175.08595	12.4
177.05479	59.6
201.00792	22.3
245.05229	9.6
256.41812	9.3
265.06778	100.0
265.09506	14.0
265.15381	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	265.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52048	0.1
52.60674	0.2
53.83461	0.1
53.97883	0.1
54.03407	1.1
56.19315	0.1
56.93178	0.1
58.06528	1.5
59.06857	0.2
59.07311	1.4
60.05567	0.8
60.07642	0.2
63.98454	0.1
69.03310	0.2
70.06543	0.3
72.07978	0.1
80.04939	1.7
81.04461	20.2
84.91194	0.1
85.02817	0.2
86.05993	1.7
86.25664	0.1
87.04391	1.9
87.06303	0.4
88.04714	1.0
89.04787	0.2
104.07043	0.4
104.10677	3.0
105.07443	0.2
105.10400	0.2
105.10990	1.2
105.21404	0.2
113.02925	0.9
118.08601	27.5
119.08953	18.6
119.10207	0.2
120.09047	6.7
122.07104	100.0
123.07455	0.4
126.03691	1.4
128.08127	0.3
129.08548	0.2
130.09743	0.7
144.04759	27.6
146.09215	5.7
147.09631	4.0
148.09677	2.3
202.26624	0.2
265.11124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1544
Annotation	H-Phe-Val-OH
Peak:m/z	Relative Intensity
53.03864	0.5
55.01800	0.7
55.05442	0.6
56.96503	4.0
57.03356	0.8
61.02847	0.8
69.03335	1.9
70.06491	0.9
71.04900	1.7
72.08066	4.9
72.99106	0.3
73.02824	1.0
73.25797	0.4
79.05413	1.0
81.03335	0.7
83.08530	0.4
84.08061	0.7
84.95946	0.5
85.02819	4.8
88.98336	0.4
91.05404	2.8
93.06951	2.2
95.04933	0.5
97.02805	1.6
98.97504	2.3
99.04414	0.5
103.05403	7.6
105.07020	0.4
109.02785	0.4
110.06004	0.7
110.07118	0.5
116.98573	2.3
118.08598	0.7
120.08052	100.0
122.07111	2.2
127.03847	1.5
128.98541	0.6
130.06458	0.9
132.08026	0.5
134.99619	1.6
136.07565	0.6
144.04793	0.5
145.04916	0.7
146.99586	0.8
149.05957	0.4
157.07640	0.6
158.05827	0.4
177.00662	0.9
181.04897	0.9
201.00731	2.1
216.07176	0.8
219.01700	0.6
219.14926	1.8
237.02730	0.6
242.05122	0.7
265.06839	0.7
265.10181	0.8
265.13074	8.9
265.15497	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	265.1544
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
54.10408	0.3
55.05453	14.9
56.04952	0.3
56.96497	1.9
57.03365	0.8
57.05756	0.9
57.13506	0.4
61.62361	0.4
65.03850	0.5
67.05434	1.0
69.03336	0.8
69.06983	0.7
70.06518	0.9
70.98582	0.4
71.04900	1.0
72.08070	100.0
79.05421	1.0
81.06976	2.2
83.04919	0.4
84.04488	0.5
85.02823	3.5
85.06466	0.9
86.09631	0.8
89.03855	1.8
89.10722	0.9
91.05410	1.8
93.06995	2.2
95.04939	0.5
95.08549	2.3
96.38255	0.4
98.97515	1.0
103.05401	1.0
105.06982	0.5
109.10160	0.6
116.98611	0.8
117.03327	11.2
119.08549	0.6
120.08054	16.8
122.07129	0.8
125.06004	0.5
127.03823	0.5
131.04866	0.5
131.08434	0.5
134.03642	0.6
135.04471	0.8
145.02824	27.9
149.05939	4.2
161.01158	0.6
166.08615	6.7
177.05432	32.0
177.79573	0.5
181.04945	5.2
182.05350	0.5
186.99199	1.0
201.00711	0.7
203.38306	0.5
229.18004	0.6
248.12860	1.9
265.15451	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	265.2524
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
50.66563	2.4
52.43907	2.8
53.03893	3.1
55.05450	78.9
57.03376	3.5
57.07018	25.7
59.81805	2.9
67.05431	69.5
69.06983	100.0
71.08546	8.2
79.05410	37.8
81.06975	65.4
83.08537	57.6
85.02825	7.3
85.10120	4.2
91.05399	4.0
93.06970	39.6
93.89625	3.5
95.08537	64.7
97.06450	7.3
97.10120	27.6
107.08517	24.1
109.10099	27.4
111.08023	5.1
121.10094	41.9
122.07096	5.7
135.11667	30.8
139.11191	3.5
144.73753	4.0
149.13304	6.0
154.28807	3.2
203.36992	3.4
247.24135	25.1
265.09439	4.4
265.25229	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04907	0.4
54.81663	0.5
55.93445	0.6
61.48845	0.5
70.79993	0.6
87.37749	0.5
101.00824	1.2
107.67143	0.5
119.01025	0.6
119.01877	19.1
121.01583	0.6
137.02931	10.7
143.30595	0.5
153.00929	0.8
156.26466	0.6
158.99733	0.6
163.02676	0.7
177.00911	44.9
181.24493	0.5
193.03810	0.6
195.02048	1.0
199.83890	0.5
201.00809	2.5
201.02480	3.1
207.06400	0.6
217.04086	5.7
219.01958	47.3
220.02126	1.4
225.00819	1.1
243.01913	4.1
261.02994	100.0
262.03113	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	267.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88937	0.3
57.07019	0.3
63.02301	0.7
67.05416	0.4
68.57515	0.3
69.03342	0.4
70.53502	0.4
71.33294	0.3
78.04626	0.7
79.05389	0.3
89.03837	19.1
91.05421	1.6
93.06985	0.7
95.04916	0.9
97.57549	0.3
99.04407	0.4
103.05421	0.8
106.04092	0.9
107.08514	0.5
117.03329	57.2
119.04877	0.4
124.05156	0.6
134.03586	5.1
135.04388	4.6
145.02826	100.0
149.05959	19.6
163.03886	0.8
177.05432	77.0
186.05489	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	267.1226
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
53.03882	0.9
55.05442	6.5
56.29950	0.9
56.96497	4.5
57.03366	1.5
57.07008	1.8
62.44476	0.9
67.05421	4.6
69.03353	2.3
69.06980	5.3
70.06502	1.2
71.04915	2.1
71.08526	1.4
74.99146	1.0
79.05392	5.0
79.51364	1.1
81.06973	6.3
83.04878	2.2
85.06470	1.7
91.05423	14.7
93.06983	6.1
93.89246	1.1
95.04884	2.1
95.08526	4.3
97.02828	1.4
98.97498	1.2
99.04335	1.0
103.05360	1.6
105.06994	9.2
107.04908	4.9
107.08533	1.6
109.10097	1.3
111.08016	1.3
113.85402	1.3
115.05403	9.0
116.06194	6.3
116.98563	1.1
117.06955	6.8
117.33450	1.0
118.66071	1.0
119.08540	2.4
121.06451	1.3
121.10088	1.6
121.57066	1.0
125.05924	1.2
125.91339	1.1
128.06169	16.7
129.06973	35.2
130.07726	1.6
131.00105	1.2
131.04884	2.3
131.08543	28.1
132.05638	1.6
133.06404	4.7
133.10126	1.6
134.99641	1.1
136.06165	2.5
139.68169	1.1
141.06956	14.9
142.07767	5.6
143.08560	5.5
144.05710	17.7
145.06433	10.4
146.07263	7.3
147.04443	1.9
147.08034	1.9
149.05977	1.1
151.54509	1.2
153.06828	1.2
155.06015	1.2
156.05679	5.0
157.06465	14.9
158.07286	1.9
159.08031	45.6
160.05211	1.6
161.05940	5.6
161.09593	11.1
167.06993	1.9
169.06381	1.7
169.07668	1.7
170.07227	12.5
171.07994	8.7
172.05194	6.2
173.05974	6.4
174.06769	4.0
175.07483	4.3
178.68855	1.3
184.05072	1.2
184.56520	1.1
185.05934	1.4
187.07506	23.5
188.08246	1.1
189.05441	5.4
189.09003	10.7
196.65672	1.1
198.06755	2.6
199.07532	1.6
201.05469	2.4
203.07027	10.8
204.07799	18.7
205.08487	4.3
216.07837	6.3
217.08606	1.7
219.10147	2.2
221.11841	1.7
231.10030	7.8
249.11168	100.0
267.12024	2.0
267.15637	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	267.1335
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
56.04720	1.2
56.04973	24.0
56.96480	0.9
57.03364	2.1
57.07000	4.6
58.06532	2.3
59.13416	0.7
70.97437	0.8
71.08544	1.1
74.02347	2.1
74.05993	100.0
75.04391	1.1
77.20346	0.9
79.84785	0.9
81.96832	0.8
84.04425	4.7
84.08072	1.2
85.02837	1.7
85.04774	0.9
91.05408	3.4
103.05394	1.8
107.04866	1.9
118.06515	1.7
120.04443	1.3
120.08060	72.0
127.03880	1.1
129.05652	1.2
130.06505	8.9
131.04916	1.9
132.08076	1.5
136.06160	15.0
143.07295	1.8
146.05986	4.5
149.05960	1.1
157.07597	1.2
158.08377	1.1
158.09604	1.4
166.08598	23.0
173.07214	1.1
191.56915	1.1
192.07391	4.8
192.57820	1.5
198.57806	1.9
203.04057	1.1
204.57811	2.0
213.09103	1.0
221.12837	3.8
249.12366	2.2
257.10608	1.6
267.13443	8.1
268.10117	1.1
284.11728	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01800	1.3
55.05441	2.0
56.33150	1.2
56.96495	9.6
57.03359	2.7
57.07003	7.3
67.05407	2.4
69.03344	3.0
69.06973	2.8
70.06490	1.7
71.08546	1.9
79.05397	7.8
81.03343	2.4
81.06961	7.0
82.06094	1.4
85.02812	2.3
91.05383	2.4
93.06965	6.5
94.28007	1.4
95.04871	5.2
95.08533	1.8
97.06461	2.0
97.61566	1.3
98.97509	6.2
105.06980	2.6
116.98548	2.8
131.04851	2.6
131.08521	2.0
134.99634	6.4
136.06161	9.7
140.43298	1.5
145.10146	1.7
155.03618	1.5
177.00644	1.6
249.14569	6.9
249.18576	1.7
267.12341	6.2
267.15607	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64655	0.5
53.42293	0.5
58.99781	0.8
69.03360	1.6
71.04897	2.4
81.03323	1.0
88.49262	0.5
97.02816	0.8
99.04383	11.1
101.00801	1.0
109.02832	0.6
113.77425	0.6
115.02390	1.2
119.01876	28.5
121.03485	0.6
127.03873	18.8
131.01892	2.1
133.03433	3.9
136.06203	6.0
137.02925	16.4
139.02399	2.7
143.01897	2.4
145.03438	13.3
147.04968	1.3
149.00795	0.6
155.01804	0.8
157.03433	45.3
159.05042	1.0
161.02922	4.0
163.04431	5.4
167.01823	3.5
169.03459	1.4
171.05006	5.1
173.02930	14.8
175.04488	20.9
179.00633	3.2
181.03342	1.2
185.02919	100.0
186.03166	0.9
187.04494	11.2
189.06053	1.4
191.03979	5.8
197.02853	0.9
199.04486	11.1
203.03970	65.9
204.04091	0.8
205.05566	1.4
208.04489	2.3
209.03003	1.2
215.03984	9.2
217.05621	1.2
221.01755	2.1
221.05025	18.3
225.18570	0.6
226.05539	1.0
227.03966	21.7
233.04944	6.4
244.92799	0.6
245.05014	60.6
263.02832	7.0
263.06055	14.7
268.06528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1037
Annotation	Adenosine
Peak:m/z	Relative Intensity
51.87574	0.1
55.01804	0.2
55.24177	0.2
57.03363	0.8
69.03346	0.3
73.02818	0.3
76.04871	0.2
85.02839	0.3
94.04010	0.7
103.35308	0.2
110.81478	0.2
119.03493	1.4
133.42415	0.2
136.06155	100.0
137.04552	1.2
178.28526	0.2
179.70932	0.2
250.50446	0.2
268.10321	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	269.0878
Annotation	Inosine
Peak:m/z	Relative Intensity
55.01812	0.3
57.03360	0.9
60.04443	0.2
60.61716	0.1
69.03348	0.5
69.53589	0.1
71.01286	0.1
73.02823	0.3
82.03983	0.1
85.02818	0.3
87.98113	0.1
91.33867	0.1
94.04018	1.1
110.03476	1.9
110.07108	2.0
112.05055	0.1
119.03523	2.0
123.04389	0.1
130.36137	0.1
136.06149	1.5
136.07600	0.2
137.04564	100.0
138.04959	0.2
168.90707	0.1
262.93674	0.1
269.11197	0.2
269.16037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1647
Annotation	Daimuron
Peak:m/z	Relative Intensity
50.41608	0.3
50.56965	0.4
55.05421	0.5
56.96504	7.5
57.07006	0.6
62.21670	0.4
65.03862	2.2
69.03355	0.8
69.06984	0.6
72.04060	0.8
72.04431	17.0
79.05431	0.7
81.06982	0.6
91.05408	100.0
95.04910	0.6
95.08540	0.5
98.97512	2.5
101.07083	0.6
105.06979	0.9
107.08527	8.5
108.08875	3.7
109.06458	0.8
110.97540	0.6
116.98574	2.2
119.08549	1.1
123.03834	1.0
125.20622	0.4
128.98590	0.8
132.04317	1.1
134.99646	2.2
135.08025	5.6
136.08372	2.7
136.11185	3.4
143.00195	0.6
146.99619	1.7
149.09222	0.4
153.00751	0.5
165.07040	0.6
166.07756	1.7
173.01237	0.7
177.00752	0.7
181.10158	3.8
205.16650	0.5
207.08095	0.5
222.76714	0.5
251.05658	0.5
266.27142	0.5
269.16333	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25850	1.7
55.05438	2.8
56.96500	3.4
57.03340	1.8
57.07909	1.5
58.46524	1.6
59.21053	1.4
59.41843	1.5
60.33775	1.7
61.74813	1.5
67.05425	4.2
69.03349	3.8
69.06969	2.8
70.06496	1.8
71.04928	2.0
79.05413	3.6
81.06973	4.4
84.08030	1.9
85.06433	1.9
91.05373	2.4
93.06955	3.5
95.04879	2.6
95.08508	3.5
99.04354	1.7
105.06969	3.6
107.08537	2.8
116.98562	3.6
118.28903	1.8
131.08534	2.2
136.06175	7.2
137.06526	3.4
137.09601	3.0
144.75439	2.2
145.10136	2.4
147.04417	2.0
149.01057	2.7
154.48703	1.9
171.67177	1.9
180.99973	1.7
211.12991	2.8
249.06664	2.3
269.17181	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	4.9
53.88523	3.5
54.43367	3.9
55.01796	4.8
55.05450	60.5
57.07006	33.0
67.05421	26.0
69.06991	100.0
71.08543	10.9
79.05406	31.2
81.06979	48.5
83.08537	60.0
85.10074	5.9
93.06971	47.0
95.08522	38.8
97.06461	26.9
97.10106	31.0
104.99227	28.0
107.08531	29.8
109.10125	9.6
121.10113	25.0
123.11668	7.2
125.09605	5.7
135.11644	27.5
149.13277	7.1
163.14755	6.2
169.17555	5.2
219.21069	35.1
237.22122	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	270.2788
Annotation	Capsi-amide
Peak:m/z	Relative Intensity
55.05440	1.3
57.07013	12.2
58.02901	9.7
71.08537	4.8
71.98424	1.0
72.88801	1.0
76.36499	0.9
78.49449	0.9
85.10101	1.2
88.07547	7.9
102.09116	13.2
116.10692	7.5
130.12294	1.3
254.73570	0.9
270.27853	100.0
271.28210	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	270.2788
Annotation	Capsi-amide
Peak:m/z	Relative Intensity
54.85273	0.4
55.05423	0.8
57.06740	0.4
57.07009	9.7
67.05421	0.9
69.06976	0.9
71.08549	3.7
72.04430	7.4
85.10069	0.7
87.06783	0.4
89.75158	0.5
92.10252	0.5
100.07552	0.5
102.09121	3.5
116.10674	4.8
130.12241	1.8
145.62424	0.5
270.27850	100.0
271.28201	2.3
280.26163	0.5
283.91977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01542	3.0
55.01796	4.8
55.05457	3.9
55.18823	2.2
56.96498	10.7
57.03366	3.1
58.06513	2.8
61.26935	2.3
65.31443	2.4
67.05412	11.2
69.03337	5.0
69.06973	10.3
70.06497	2.9
71.04893	11.1
76.56448	2.3
79.05408	6.0
81.06976	19.0
82.42691	2.8
83.04877	4.0
84.08048	5.2
85.06462	4.1
91.05401	18.6
93.06962	28.3
95.04903	4.8
95.08521	14.6
97.06450	13.8
98.97521	4.3
99.04387	3.7
105.06958	17.4
107.08528	16.6
109.02782	2.2
109.06442	13.1
109.10103	4.1
110.81970	2.7
111.04346	3.0
111.08041	4.6
112.11169	4.2
116.98547	3.8
117.28418	3.0
119.04902	8.9
119.08517	3.8
120.16978	2.3
121.06442	11.6
121.10071	4.2
125.09620	3.2
131.08449	3.4
133.10081	4.4
134.99591	4.9
135.08002	5.9
139.07530	2.9
145.10101	2.7
147.04373	10.6
147.11606	5.0
157.10147	3.7
163.07506	2.8
165.06966	3.9
191.06943	5.0
192.07339	3.4
193.12140	4.2
204.54076	3.3
217.12161	11.2
224.03386	3.2
235.13197	6.3
253.14236	5.2
268.13623	2.5
271.14746	2.9
271.15445	3.5
271.18741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	100.0
57.07002	8.5
62.01273	5.7
67.05433	59.3
67.05730	6.0
68.03831	5.4
69.06996	98.3
79.05405	26.4
79.57622	5.6
81.06966	81.6
83.08553	54.3
91.05404	30.0
93.06969	44.4
95.08534	84.7
97.06458	6.0
97.10120	48.0
105.07005	12.7
107.08527	14.4
109.10088	29.3
119.08557	27.5
121.10093	22.2
123.11617	7.4
133.10123	9.5
135.11655	14.1
139.91481	5.8
147.11649	7.3
196.27371	6.0
200.30255	5.5
217.19507	9.5
236.88931	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	271.2266
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
55.05449	31.9
56.96495	4.3
57.03367	2.9
57.07001	15.7
60.16963	3.3
67.05429	65.2
67.95432	3.4
69.06982	35.0
71.08527	7.5
79.05427	6.4
80.54134	3.4
81.06975	86.7
83.08540	8.3
93.06959	8.0
95.08534	100.0
97.10091	8.4
109.10084	38.9
117.22717	3.6
119.08475	4.2
121.10098	5.0
123.11648	6.5
133.10092	5.5
137.13222	4.5
137.43227	3.4
187.07423	3.8
199.04535	6.0
207.20981	5.5
217.19499	17.1
227.48938	4.0
235.20485	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	272.1128
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
53.03888	1.6
55.01803	2.1
56.96499	17.5
57.03376	4.3
59.65121	0.3
61.02855	5.5
61.94357	0.3
65.03850	1.7
66.40963	0.4
67.05404	0.7
67.72849	0.4
69.03349	9.9
69.89637	0.3
70.06504	5.7
71.04898	0.6
72.08080	3.6
73.02834	3.2
74.97540	0.7
81.03342	4.6
84.95956	4.5
85.02824	24.6
86.09624	0.5
87.04381	1.6
87.24226	0.4
91.03864	0.7
92.04922	7.7
93.03275	0.4
95.04853	0.5
97.02822	9.4
98.97517	4.1
99.04369	0.7
99.09148	0.4
102.96999	0.6
106.06490	2.5
107.04877	4.1
109.02828	2.0
109.05207	0.8
110.05987	100.0
111.04379	2.3
111.06313	0.4
115.00639	0.5
116.07039	4.9
116.98560	4.7
119.01785	1.6
120.98081	0.7
121.06478	0.7
121.97534	0.4
122.05973	1.6
124.03942	0.8
124.99065	1.8
127.03864	3.1
127.08675	0.7
128.02321	0.5
128.98576	1.9
129.10185	0.5
131.00113	0.4
133.01744	0.9
134.06009	3.0
134.99603	3.9
136.07535	0.6
143.00162	5.3
145.04947	0.9
146.05956	0.6
146.99652	1.0
152.07027	0.5
153.00757	0.6
158.99640	2.3
161.01176	15.5
162.99141	2.9
170.99583	0.6
173.02968	0.4
173.09163	1.7
177.00632	3.3
179.02194	4.6
181.00105	0.8
181.06496	0.6
186.99107	0.9
189.00696	0.9
191.03859	0.6
195.01715	0.7
201.00804	0.5
205.00198	2.4
207.01750	0.8
219.01720	0.6
223.01285	2.1
237.02773	0.8
254.10254	0.6
267.00247	2.6
272.11246	1.0
272.18503	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	272.1128
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
53.03876	1.2
53.52433	0.5
55.01804	1.1
55.05442	0.4
56.96236	0.9
56.96501	16.3
57.03378	4.0
61.02855	6.4
65.03849	1.0
65.46797	0.5
69.03348	10.4
70.06512	4.3
71.04892	0.9
72.08062	3.0
73.02821	3.0
74.97497	0.6
79.05418	0.8
81.03340	4.1
84.95973	4.8
85.02827	24.4
85.03950	0.5
86.09627	0.6
87.04385	0.6
91.03874	0.9
92.04929	7.6
92.10844	0.6
93.06954	0.7
97.02824	9.0
98.97505	5.9
99.04356	0.6
106.06516	1.9
107.04895	2.8
109.02831	1.0
109.05231	0.7
110.05991	100.0
111.04410	1.2
116.07054	3.9
116.98558	4.8
119.01751	1.2
122.06027	0.9
124.03893	0.7
124.99084	2.1
127.03893	3.5
129.10204	1.2
131.00169	0.5
133.01730	0.5
134.05963	3.2
134.99631	3.3
136.07553	1.1
140.02232	0.5
143.00136	5.3
145.04961	2.2
146.99683	0.7
152.07057	2.1
158.99649	1.2
161.01184	10.7
162.99142	2.4
173.09216	0.7
176.06981	0.7
177.00690	4.0
179.02255	3.2
181.00130	0.7
184.02805	0.5
186.99095	0.7
189.00795	1.0
191.03891	0.6
194.15364	1.0
205.00148	2.3
207.01729	0.8
212.16353	0.5
219.01749	1.0
223.01274	2.2
235.82324	0.5
236.16255	0.5
237.02904	0.7
248.07556	0.6
267.00174	1.1
272.11365	0.7
272.18533	4.0
276.44754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2582
Annotation	C16 Sphingosine
Peak:m/z	Relative Intensity
54.32008	0.6
56.04965	3.2
57.07012	17.9
58.06539	10.9
61.46128	0.7
70.06531	9.5
70.06870	1.4
71.08537	7.4
72.08063	3.6
72.45407	0.6
85.10096	1.4
86.05991	34.9
97.37749	0.7
100.07549	47.9
104.07012	1.1
118.08598	4.6
125.05354	0.7
140.10521	0.7
254.24734	100.0
272.25775	31.5
278.17270	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35939	1.0
52.56900	0.8
52.99070	0.8
53.00235	1.1
53.99376	0.7
55.05453	0.8
57.06734	1.5
57.07010	33.1
58.06522	3.9
60.09870	0.9
62.06015	13.8
71.08545	11.0
79.44898	0.9
85.10098	5.5
92.10275	1.9
122.09538	1.1
254.28404	6.7
272.29419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10002	1.1
55.05430	1.9
57.07012	51.0
58.06519	5.7
62.06019	33.9
62.06339	1.9
66.73988	1.4
67.05415	2.4
69.06971	1.6
71.08542	23.9
72.08051	1.5
85.10100	10.3
90.05474	7.9
104.10670	6.4
105.06927	1.9
108.40404	1.3
110.10900	1.3
120.91394	1.3
174.98627	1.8
212.20618	1.3
272.29416	100.0
273.29803	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	273.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51967	0.1
56.44150	0.1
74.09225	0.2
74.09629	5.4
82.48857	0.1
94.03209	0.1
96.96841	1.3
97.32990	0.1
103.92578	0.1
105.76880	0.1
112.05192	0.7
118.08591	0.6
130.06265	5.7
140.66493	0.1
153.37611	0.1
156.04189	100.0
157.04578	0.3
273.12009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.201
Annotation	Heptanoylcarnitine
Peak:m/z	Relative Intensity
55.05453	2.8
56.96499	12.2
57.03358	1.6
57.07001	1.8
66.97282	1.7
67.05425	8.1
69.03361	2.0
69.06991	2.2
70.06506	31.8
79.05402	8.2
81.06987	8.7
83.04883	2.1
84.04439	2.8
84.08089	2.8
85.02839	1.7
86.09622	2.6
91.05408	3.0
92.63972	1.5
93.06984	9.2
94.06490	2.0
95.08520	9.6
96.08050	3.3
97.02832	1.6
98.97536	3.9
101.11546	1.6
103.81235	1.4
105.06935	2.4
107.04894	1.5
107.08527	3.1
109.10098	1.8
110.07173	1.5
116.98583	9.5
119.08514	1.9
132.95850	2.0
133.45724	1.8
134.99643	9.1
150.96870	7.7
164.90495	1.6
191.97165	2.5
194.19044	21.0
194.52901	1.6
196.16949	59.8
214.18135	2.6
220.16893	3.7
238.17996	9.7
242.58229	1.7
256.19046	46.8
274.20102	100.0
274.27252	2.6
292.98535	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2738
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
57.07012	13.1
58.06492	0.8
63.79977	0.8
70.06136	1.1
70.06514	21.4
71.08534	5.4
82.78330	0.8
85.10105	1.4
88.07554	25.4
88.66263	0.8
92.11012	1.7
102.09121	9.0
106.08604	12.0
112.37800	0.8
155.74693	0.9
212.12665	0.8
256.26196	9.9
274.27341	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0912
Annotation	Lecanorin
Peak:m/z	Relative Intensity
52.03091	0.2
53.00225	0.1
53.03883	0.7
55.01810	1.3
57.03371	0.2
65.03861	3.0
66.98146	0.2
67.05430	3.4
71.01268	0.2
77.03846	0.3
79.05431	0.2
85.02837	0.3
92.65008	0.2
95.04892	2.8
105.04389	0.2
107.08496	0.2
108.02042	5.2
108.02726	0.3
109.02820	0.8
111.04398	1.1
112.01573	0.3
119.07593	0.2
119.08554	0.3
126.40237	0.2
127.03896	0.3
136.01523	0.8
141.05450	9.7
151.03893	100.0
151.05008	13.0
165.35751	0.2
189.10573	0.2
205.09721	0.2
242.06323	0.2
242.60840	0.2
275.09097	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	275.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77678	0.9
58.73207	0.8
59.41129	0.8
59.77206	0.8
67.35517	0.8
74.09619	6.4
75.82337	0.9
80.37682	1.0
84.42773	0.9
93.68624	0.8
111.41769	1.2
114.21081	0.9
118.08614	4.4
132.06061	7.3
156.04202	11.0
157.04570	9.8
158.03984	100.0
158.11728	4.3
158.99451	1.2
203.49864	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04921	1.5
54.81568	1.5
55.01797	3.7
55.05438	9.5
56.04972	25.5
56.96486	10.3
57.06994	9.5
58.99514	20.1
66.00025	1.7
67.05434	29.0
69.06985	19.9
70.06496	10.6
71.04893	2.8
73.01041	3.1
74.00566	3.8
76.02142	13.7
77.01819	1.7
79.05388	15.1
80.04946	2.4
81.06961	9.8
83.08517	2.2
84.04406	3.0
84.08067	2.0
85.01040	4.0
85.02816	2.0
85.06460	3.7
86.00572	73.2
86.09612	7.3
86.98961	16.8
88.02148	4.2
88.03883	3.7
91.05415	19.5
93.06966	40.9
95.04876	3.5
95.08521	17.1
97.01044	47.4
97.06451	4.2
98.97510	7.6
105.00012	6.7
105.06977	7.1
107.08521	10.0
109.10118	20.3
110.16285	1.8
111.02599	2.0
111.07987	6.0
112.03991	1.8
116.98550	8.9
119.08509	11.7
122.02736	2.3
123.02596	4.0
125.04195	3.4
132.01122	56.1
134.99580	8.7
135.08037	23.7
135.11661	1.8
136.11179	3.4
137.09584	7.4
137.10587	1.8
141.07231	4.0
149.01149	1.9
150.96852	3.0
151.05774	14.5
153.00783	1.9
154.12241	39.8
159.09201	1.9
161.00963	1.7
169.06729	14.5
171.15021	1.8
177.07294	8.2
186.09409	3.0
186.99052	2.5
191.97185	2.6
195.08371	12.7
212.10991	47.2
229.13649	9.9
230.12022	9.8
258.11545	21.3
274.27325	2.2
275.11172	3.4
275.14160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13784	3.7
55.01804	9.6
55.05453	36.6
56.96490	9.3
57.03364	4.7
58.18982	4.0
62.97559	3.8
67.05421	56.1
69.03345	8.0
69.06976	23.1
70.06507	46.9
71.04905	10.6
79.05402	64.1
79.36637	3.9
81.06970	100.0
83.04900	25.3
83.08520	3.9
84.04424	4.9
85.02797	8.1
85.06456	63.2
91.05407	50.7
91.72408	4.2
93.06972	88.6
93.67867	4.3
95.04875	9.5
95.08530	53.4
97.02813	8.3
98.97523	10.0
99.04324	4.6
104.17525	4.1
105.06986	54.5
107.08547	43.6
109.06489	7.6
109.10090	18.8
110.89990	4.3
111.08044	16.8
112.08625	5.2
116.98570	16.7
117.07002	7.8
119.08535	80.4
121.06506	16.0
121.10088	17.6
123.07988	24.1
129.06934	6.3
131.08533	10.5
133.10104	40.4
134.99606	8.4
135.07976	7.9
137.09570	40.6
139.07512	19.9
140.23125	4.9
143.08556	8.0
145.10103	29.0
147.11626	7.6
150.96864	5.5
151.07506	5.4
151.11147	5.1
153.09068	10.9
159.11649	22.7
161.13252	64.7
163.11160	5.1
165.09062	18.1
170.06012	8.4
175.14717	8.0
185.13226	26.6
191.03951	5.2
203.14310	39.0
213.06306	4.2
221.15282	50.6
239.16394	25.5
257.17490	17.7
298.64304	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	275.2002
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
50.06163	8.4
55.05443	20.8
56.96485	8.9
57.03395	10.3
58.05673	8.0
66.89361	8.9
67.05413	42.5
69.06975	18.1
78.84328	8.7
79.05398	41.2
79.27164	9.7
81.06960	47.2
91.05410	94.0
93.06951	20.1
95.08488	15.5
105.06969	100.0
109.10110	10.1
109.61860	10.6
117.06914	16.4
119.08532	78.7
131.08525	25.0
133.10036	37.2
134.99574	18.5
141.74678	11.6
147.11682	24.7
165.87216	11.4
275.19885	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.00262	4.9
54.82039	4.7
55.05444	27.4
56.96493	12.4
57.07011	38.2
61.46907	4.6
67.05428	33.8
69.06980	23.2
70.06506	36.5
77.11635	4.6
79.05403	24.5
81.06968	47.8
83.08530	8.5
87.91037	4.9
88.07546	47.6
91.05405	53.1
93.06971	12.5
95.08534	38.7
105.06963	57.3
105.38183	4.8
106.08617	11.5
107.08523	11.1
109.10109	25.9
117.06950	7.5
119.08524	31.1
121.10069	8.8
123.07980	6.6
127.88839	5.1
131.08508	11.9
133.10071	28.4
134.99568	6.6
137.05913	10.6
145.10008	8.3
147.11668	8.2
149.02296	5.4
157.10120	5.8
159.11642	11.9
159.55356	5.4
170.00928	5.1
170.93329	5.5
185.12930	4.9
257.18976	5.9
257.26727	5.3
274.27359	100.0
275.20132	36.0
275.27625	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14774	0.7
55.01800	4.9
55.05442	6.3
56.04970	35.7
58.99519	40.3
61.01070	1.6
64.94968	0.8
65.03822	1.1
65.18484	0.8
67.05424	29.5
68.04951	1.2
69.06990	12.9
70.06511	3.4
71.04900	5.0
72.04448	1.2
73.01056	6.4
74.00564	5.6
76.02136	16.2
79.05403	15.6
80.04914	1.7
81.06982	14.6
83.08522	4.0
84.08032	1.0
85.01047	5.0
85.06457	1.7
86.00572	36.5
86.98973	24.9
87.02601	8.2
88.02115	3.9
88.03918	4.7
88.15804	0.8
90.60220	1.0
91.05405	19.5
93.06966	39.1
94.06521	1.2
95.04872	3.5
95.08537	16.9
97.01042	30.2
97.06454	4.9
99.02605	1.4
100.02132	1.5
105.00037	7.9
105.06973	4.0
106.19185	0.8
107.08529	12.5
107.27875	0.9
108.08055	1.8
109.06487	2.0
109.10105	23.3
111.02628	2.1
111.08029	1.9
112.02115	1.1
113.04169	1.1
116.05264	4.9
117.06954	3.7
117.40199	0.9
119.08536	9.8
120.01080	1.3
125.04162	5.0
127.05664	1.2
132.01122	21.3
132.99506	2.1
135.07999	8.8
136.11182	1.3
137.09581	10.5
141.07307	5.4
151.05693	9.5
154.12242	29.6
154.13484	1.2
169.06757	4.0
172.13271	4.6
173.11713	1.2
177.07281	4.0
184.11528	1.0
188.09904	1.1
195.08286	7.0
196.13345	1.1
196.77661	1.1
212.10992	38.0
213.09335	4.0
223.07750	2.1
230.12013	12.6
258.11545	10.8
259.09943	8.3
276.12567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.4
54.38361	0.2
55.05449	0.5
56.96496	0.4
57.07009	1.2
62.10017	0.3
67.05421	0.9
69.06993	6.0
69.64728	0.3
71.08549	0.5
72.08090	0.4
73.83933	0.2
79.05409	1.9
81.06955	1.8
82.30473	0.2
83.08536	0.6
86.05979	0.4
91.05408	0.4
93.06965	2.4
95.04893	1.4
95.08547	1.2
97.06459	1.8
100.07551	1.1
101.62652	0.2
102.17957	0.2
105.06945	0.9
107.04902	100.0
107.08520	2.4
108.05249	1.0
109.10091	1.0
111.08025	0.4
111.11651	0.4
114.09132	1.0
133.06476	1.0
133.10080	0.5
135.11688	2.4
151.11137	0.3
153.12766	2.7
167.44838	0.3
170.15356	4.1
182.15381	1.6
212.10466	0.3
275.27963	0.4
276.19501	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	2.5
55.05456	1.7
56.04968	2.4
56.86715	1.7
56.96487	10.8
57.03372	1.6
57.06997	7.1
69.03345	3.5
70.06525	11.6
71.04935	1.4
72.08050	2.3
73.06734	1.4
74.02341	12.9
81.03322	1.9
84.04416	9.5
84.08062	3.5
85.02810	6.9
85.31077	1.6
86.09618	1.8
86.74374	1.6
91.05405	2.2
97.02840	7.6
98.97509	10.5
99.04417	2.0
108.08054	1.7
109.02798	2.2
110.07065	2.3
116.98563	9.8
118.06513	15.6
119.01851	1.8
129.06979	2.7
130.04980	3.1
130.06494	37.3
132.08078	6.2
134.99615	9.1
138.75894	1.7
143.07291	9.8
144.08086	30.7
146.05989	40.7
146.99562	1.8
147.04356	7.3
147.06322	8.8
148.06038	3.0
154.06497	6.7
155.07295	2.3
156.08044	9.8
158.09625	44.7
159.09097	1.9
167.07187	16.3
168.08047	94.2
170.05939	7.3
170.09579	2.1
171.06651	2.7
172.07489	12.0
177.00691	3.0
180.08017	4.0
181.04813	2.2
182.06035	2.9
183.09137	1.9
184.07542	7.9
186.07436	3.4
186.09114	100.0
188.07027	30.0
189.07346	9.4
195.09113	39.9
196.07536	10.3
205.09624	2.1
206.10036	2.8
213.10141	3.4
224.07050	6.5
237.02817	3.3
241.09575	16.4
242.08072	13.3
245.09317	1.9
259.10736	7.8
277.07352	2.0
277.11795	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	13.6
55.05447	9.4
56.31434	0.8
56.84016	0.8
56.96503	1.2
57.07010	13.6
58.07336	5.6
59.36521	1.3
62.00102	0.8
67.05415	7.3
69.06985	4.7
70.06516	16.9
71.06847	9.9
71.08547	4.4
71.81680	1.1
75.82920	1.0
77.66124	1.1
79.05407	9.3
79.69652	1.1
81.06973	53.6
83.04892	1.7
83.08525	1.7
85.27751	1.1
88.07557	17.2
89.07388	1.3
89.07874	10.2
91.05402	6.1
93.06983	8.0
95.08533	6.0
97.06462	0.9
102.09097	2.0
103.09449	4.5
105.06999	2.3
106.08620	4.7
107.08461	2.2
108.09040	2.1
109.06474	20.7
109.10105	1.3
111.04397	12.4
119.08533	5.1
121.10107	1.8
123.08038	1.6
123.11646	1.3
125.05965	4.3
131.08524	1.2
133.10097	1.4
135.08105	1.2
137.05956	100.0
143.08543	1.2
145.10094	1.2
147.08046	1.5
147.11647	4.5
149.09563	1.9
151.07541	2.1
159.52074	1.2
161.09613	1.8
161.13332	1.4
163.11140	1.2
175.11176	2.1
200.28477	1.2
203.17874	1.1
213.16368	1.4
231.17336	2.1
232.25450	1.2
249.18524	3.2
258.26828	7.8
259.27292	1.3
276.27988	83.5
277.17908	5.8
277.28220	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57889	0.4
55.05444	0.6
58.06312	0.5
58.06538	9.3
59.04925	0.9
59.07315	7.5
60.08094	21.8
70.06506	0.8
70.85590	0.5
78.28205	0.5
84.04430	7.5
84.08062	6.5
85.02833	0.5
86.05991	0.7
86.09636	0.8
88.20427	0.5
89.12791	0.5
90.57759	0.4
97.02815	2.1
101.06013	0.6
102.05465	1.1
104.10695	4.5
118.08602	39.2
130.04974	1.9
130.08600	0.9
135.82523	0.5
148.05983	0.7
155.64717	0.5
160.10895	2.4
160.13300	100.0
186.16335	0.5
251.19887	0.5
277.21225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47913	0.3
55.02394	0.3
55.05444	0.4
58.06533	9.0
59.04929	1.6
59.07061	0.4
59.07319	7.5
60.08096	21.4
63.39165	0.3
63.77795	0.3
72.43967	0.4
73.06467	0.6
86.05981	0.4
87.04389	0.5
97.07459	0.3
101.05943	0.4
104.07025	0.7
104.10663	2.5
117.77930	0.3
118.08604	48.8
119.35757	0.3
132.10172	0.4
146.80499	0.4
160.10764	5.9
160.13300	100.0
214.20200	0.4
277.21045	0.5
281.95560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03871	2.8
55.05448	19.9
56.96471	1.6
57.07018	1.3
60.12367	1.1
65.03834	1.5
67.05423	23.6
69.06970	10.9
71.04890	1.8
79.05408	73.9
81.06976	28.8
83.04842	1.8
83.08537	2.7
88.28022	1.3
91.05403	34.4
92.64720	1.5
93.06969	100.0
95.04878	13.3
95.08517	16.5
105.04490	1.5
105.06973	13.5
107.08540	38.0
109.06475	3.0
109.10089	7.0
113.44167	1.5
117.06943	2.6
119.08510	8.2
120.40948	1.4
121.10093	24.1
133.10059	8.0
135.07951	1.6
135.11641	22.9
147.11703	2.4
149.13225	10.2
259.20441	1.8
277.21579	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.00250	2.1
55.01804	3.2
55.05452	26.9
57.03366	6.9
57.07016	6.5
58.07896	1.6
67.05427	42.7
69.06669	1.8
69.06987	21.0
71.04893	12.4
79.05404	72.5
81.06981	47.8
83.08532	8.5
85.06474	2.2
91.05406	37.4
93.06974	100.0
95.04900	16.0
95.08536	36.6
96.87304	1.9
97.10104	3.1
105.06954	22.9
107.08530	51.2
109.06490	7.0
109.10114	9.5
113.09634	1.6
117.06959	8.2
119.08520	16.6
121.02792	2.6
121.10099	38.2
123.07981	3.4
123.11658	2.7
127.38644	2.0
129.06989	2.9
131.08521	10.5
133.10094	12.8
135.11684	22.4
145.10118	3.5
147.11613	7.8
149.02298	9.5
149.09578	1.8
149.13231	10.9
159.11671	6.6
161.13206	3.7
163.14758	2.9
173.13210	6.3
175.14790	2.0
187.14691	2.6
193.12216	2.1
205.15904	1.9
241.19586	2.2
259.20618	2.8
261.73257	1.8
276.28162	2.7
277.21558	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.00234	1.4
53.03879	3.0
55.01815	3.3
55.05228	1.5
55.05453	28.5
57.03350	2.5
57.07000	6.5
63.09552	1.3
65.03862	1.5
67.05432	53.0
69.06988	20.5
71.04908	2.2
71.08546	29.5
71.70651	1.3
79.05407	68.7
81.03320	7.5
81.06506	2.4
81.06973	54.6
83.04893	9.8
83.08540	7.3
85.06431	2.1
91.05400	35.6
92.10918	5.8
92.64654	1.5
93.06976	100.0
95.04889	12.2
95.08535	36.7
97.06474	6.2
99.08016	10.4
105.06973	19.3
105.10026	1.3
107.04893	3.1
107.07878	1.7
107.08541	39.2
109.06453	2.8
109.10107	10.3
115.96429	1.4
117.06900	1.6
119.08517	10.5
121.09329	1.8
121.10117	31.1
123.07990	2.2
131.08556	2.8
133.10106	8.9
135.11658	28.4
143.08524	1.5
147.11606	3.0
149.13242	8.7
151.11162	10.9
159.11674	1.9
161.13249	1.7
163.11125	2.5
171.11723	1.7
179.14267	24.1
189.00078	8.0
227.01578	2.4
235.17014	2.0
259.20566	2.3
277.21585	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	277.216
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03880	2.4
55.05456	28.2
55.58050	1.3
56.96491	6.3
57.07005	7.5
67.05433	39.1
69.06985	17.8
73.40006	1.6
78.81667	1.4
79.04954	3.4
79.05410	86.0
79.92245	1.3
81.06979	31.6
83.08521	7.2
85.06480	1.5
91.05405	46.0
92.73202	1.4
93.06972	100.0
93.82651	1.5
95.04885	17.5
95.08518	21.3
97.10084	1.5
105.04418	1.6
105.06975	23.2
107.08536	63.3
109.06472	7.4
109.10090	7.8
109.96685	1.5
115.96381	2.4
119.08548	11.9
121.10088	30.3
125.09560	1.8
131.08513	6.3
133.06490	2.8
133.10085	7.9
135.08037	14.4
135.11641	22.1
147.11658	3.0
149.13229	7.6
149.46741	1.6
161.13239	1.8
163.14705	1.9
181.01508	3.5
202.57428	1.6
227.02071	2.8
231.08990	3.3
245.07431	1.6
266.35400	1.5
277.21481	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03883	4.4
55.05452	28.1
56.96503	5.2
57.03384	1.6
57.06998	2.4
64.33403	2.1
66.66956	1.4
67.05420	38.5
69.06986	15.6
71.03059	1.4
71.04900	2.5
78.21039	1.8
78.33491	1.7
79.05406	81.6
81.06972	38.2
83.04878	1.9
83.08534	11.7
84.19208	1.8
90.54790	2.1
91.05407	37.3
93.06965	100.0
95.04878	15.1
95.08521	24.5
95.53207	1.8
97.06420	2.2
97.10097	2.1
102.70011	1.9
105.06949	18.5
107.08533	46.2
109.06478	3.2
109.10088	7.5
118.77771	1.8
119.05961	2.1
119.08514	12.1
121.10092	29.4
129.06985	2.2
131.08539	3.8
133.10071	9.9
135.07994	2.8
135.11656	26.5
149.13228	11.5
173.13364	1.9
182.78816	2.0
259.20331	2.2
277.21555	30.7
299.67340	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	277.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	5.7
55.05450	71.4
57.03388	6.2
57.07014	7.8
57.28526	4.4
58.66952	4.5
67.05429	93.9
67.08289	4.4
68.57308	4.5
69.06991	53.0
71.04895	6.0
71.96645	4.7
79.05413	48.0
81.06980	100.0
83.08545	37.7
85.06461	30.0
91.05371	7.7
93.06974	63.3
95.08530	73.4
97.06462	5.1
97.10116	11.9
107.08521	45.3
109.10105	51.3
116.67907	4.9
121.10069	22.7
123.11649	10.5
130.42542	5.6
133.10043	6.0
135.11661	27.4
149.13254	25.5
163.14801	4.9
166.05344	5.6
205.19524	9.1
208.92134	5.6
223.20544	30.9
226.25378	5.1
241.21518	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	277.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	1.3
55.01807	1.8
55.05449	27.5
56.96495	6.4
57.03361	5.4
57.07018	10.8
58.21387	0.9
59.04956	1.3
60.71269	1.1
65.03888	1.3
67.05428	67.0
69.03349	1.4
69.06986	31.9
71.04903	9.3
71.08529	1.2
71.68604	1.2
72.52731	1.0
77.53574	1.0
79.05405	32.5
81.06973	100.0
83.04903	1.5
83.08542	16.6
84.04434	1.4
85.06465	35.8
91.05373	7.9
92.10320	1.3
93.06971	48.7
95.04895	2.1
95.08534	58.7
96.08102	1.6
97.02811	1.6
97.06468	3.9
97.10103	2.7
98.97497	4.7
99.08016	11.9
105.06967	2.5
107.07858	2.1
107.08531	37.4
109.06417	1.3
109.10111	37.2
111.08028	1.9
113.09533	1.4
114.09098	7.3
116.98575	2.1
119.08524	2.4
119.50719	1.2
121.10100	21.7
123.11645	11.0
125.09637	1.5
131.20419	1.2
134.99623	1.8
135.11665	30.0
147.11682	1.4
149.13228	27.9
161.01244	1.6
163.14796	5.8
177.00612	1.6
205.19547	11.2
223.20531	21.8
239.09366	1.9
241.21556	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	278.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04964	6.2
57.03356	4.3
57.07008	16.9
59.79775	0.9
60.08086	3.6
63.54890	0.8
67.05428	33.7
68.04903	1.3
69.03352	1.4
70.06503	4.2
71.04887	1.5
84.04427	97.4
84.08051	8.2
85.02831	19.4
85.04758	4.4
85.06463	100.0
87.86760	1.1
95.04886	2.4
96.04404	1.4
97.02816	1.5
98.01198	1.1
98.05993	7.2
100.07577	1.4
102.05484	12.1
112.07553	4.4
113.09519	0.9
114.05475	4.1
116.07045	2.4
118.08614	4.0
124.07540	5.2
128.07040	4.6
130.04964	30.8
131.03362	1.1
140.10660	14.5
142.04980	2.3
148.06046	2.4
148.09618	1.3
149.02361	1.5
160.13272	8.7
161.13805	1.2
164.95978	1.0
168.10156	38.1
186.11192	21.0
214.10693	24.9
214.12621	1.4
232.11748	52.1
242.10304	1.0
251.37260	0.9
260.11279	2.2
278.12280	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25799	0.6
56.04975	9.2
57.06758	0.8
57.07010	10.0
57.99104	0.6
58.06267	0.9
58.06535	16.4
60.04450	5.3
69.06994	1.2
70.06511	1.1
71.08541	5.6
71.08859	0.6
72.08064	4.7
74.05988	8.4
75.04396	1.0
86.05965	7.0
87.04399	0.7
88.07552	75.3
89.05933	0.6
100.07510	2.6
104.07047	8.7
110.22881	0.6
118.08632	1.2
123.88266	0.6
126.34441	0.6
132.10170	21.6
138.06781	0.7
149.02313	4.2
154.15886	0.9
162.11186	4.9
166.10736	3.4
186.18495	80.1
198.18446	1.4
215.09650	0.7
230.21118	27.2
260.22122	2.8
278.23196	100.0
279.23468	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	279.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47573	2.0
51.71772	1.6
56.96501	19.0
57.07006	9.8
70.90199	1.8
75.98427	2.0
78.02963	1.8
98.97510	96.4
104.99229	9.1
110.63265	1.8
110.97499	15.9
112.76650	2.0
115.47427	1.8
116.98575	97.5
121.02827	3.4
128.98569	35.1
129.68962	2.0
134.99629	76.6
146.99635	45.3
149.02321	100.0
152.00093	2.4
153.00679	14.1
154.90739	4.7
158.99695	14.9
161.01193	3.7
165.00700	9.8
170.99655	8.7
172.95233	8.2
177.00661	44.4
184.39642	2.3
189.00745	22.7
190.96269	8.6
192.91112	4.2
195.01717	4.7
196.91795	21.7
201.00677	4.9
207.01764	10.6
208.11752	2.1
210.92134	8.3
212.63766	2.1
219.01851	4.6
219.05736	2.1
233.93718	3.3
237.02750	3.5
255.03886	3.0
279.03751	10.4
297.04871	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	279.0931
Annotation	Triphenylphosphine oxid
Peak:m/z	Relative Intensity
51.02305	0.2
53.03878	0.4
53.06037	0.2
53.41188	0.2
56.96474	0.5
57.06987	1.3
67.05412	0.2
69.06941	0.3
71.19833	0.2
77.03828	0.3
79.05442	0.3
80.84718	0.2
81.06940	0.6
83.13408	0.2
86.65826	0.2
91.05376	0.3
93.06929	0.2
95.00397	1.2
95.04896	2.4
116.98542	0.5
121.02796	0.4
124.78746	0.3
126.03646	0.2
128.06161	1.3
129.06938	0.6
133.01936	0.4
134.99635	0.3
141.00974	1.2
146.99629	0.3
149.01141	0.5
149.02322	12.5
154.07724	0.6
171.03539	2.2
173.05127	10.6
183.03580	1.5
201.04607	3.0
210.92198	0.6
219.05670	100.0
220.06003	0.5
279.09296	67.3
280.09619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1339
Annotation	Prolyl-tyrosine
Peak:m/z	Relative Intensity
56.96499	1.0
57.07001	2.9
60.08094	0.4
70.06511	51.0
74.02987	0.4
75.78212	0.4
84.04413	3.3
91.05408	37.9
98.97507	3.5
107.04860	0.6
109.06447	0.9
114.05474	3.8
116.07043	67.6
116.98574	2.4
118.06481	1.0
119.04899	26.5
121.02807	2.1
121.06385	0.9
134.99641	2.3
136.07553	100.0
146.99669	0.7
147.04399	2.8
149.02322	30.7
172.95212	0.9
177.00661	2.7
183.41313	0.5
190.96234	0.9
195.90387	0.6
242.69810	0.5
262.10736	0.9
279.13358	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	279.1372
Annotation	Pantetheine
Peak:m/z	Relative Intensity
54.01107	0.7
55.01807	1.9
56.96511	0.8
57.07017	8.6
59.04927	1.5
60.04449	0.9
61.01077	24.3
67.05414	4.3
70.02863	1.0
72.04430	34.8
73.02846	1.9
78.03706	46.5
81.06959	1.2
85.06464	6.6
86.05978	1.1
88.02149	9.8
91.58677	0.9
95.04901	2.1
98.02328	2.0
98.97480	4.4
99.05509	1.6
102.03705	66.8
103.02096	6.0
113.05934	6.2
114.03700	3.6
116.98560	1.4
120.04778	7.3
121.02804	1.9
124.07518	4.2
126.05000	0.9
127.31735	0.8
131.06322	23.8
131.07126	1.3
132.04756	34.1
132.21103	1.0
134.99654	1.3
142.08585	6.5
145.26501	1.1
146.99599	1.0
149.02316	48.8
149.07416	100.0
159.05804	2.1
167.03285	1.3
175.05382	1.5
177.00668	0.9
181.94618	0.9
184.09607	1.8
243.11584	2.0
261.12628	32.5
295.73129	1.2
297.55722	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1589
Annotation	Monooctyl phthalate
Peak:m/z	Relative Intensity
54.81891	0.3
56.08053	0.4
57.07014	18.6
65.03852	0.9
77.03878	0.4
77.64657	0.4
93.03294	0.5
121.02835	6.1
149.02319	100.0
159.74568	0.4
162.92682	0.4
167.03343	2.7
263.34586	0.4
292.75018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1702
Annotation	Ile Phe
Peak:m/z	Relative Intensity
53.00241	0.3
55.05438	0.2
56.04972	0.2
56.96494	0.4
57.05735	0.3
57.07007	2.0
58.06535	0.5
65.03843	0.5
69.06989	17.9
69.82890	0.2
81.06976	0.3
81.54974	0.2
84.39922	0.2
85.02840	0.3
86.09627	100.0
91.05411	0.3
95.08501	0.4
98.41821	0.2
98.97537	0.9
111.04406	0.3
116.98579	1.1
119.08611	0.3
120.08057	10.2
121.02827	1.9
123.08001	0.4
131.08525	0.4
134.99606	0.8
138.38654	0.2
146.99643	0.4
149.02319	24.2
156.09320	0.3
161.01097	0.2
166.08607	4.3
167.03354	0.3
172.95184	0.3
177.00713	0.4
195.84158	0.3
200.94650	0.2
219.05504	0.2
237.05353	0.2
265.92197	0.2
279.03836	0.2
279.12241	0.3
279.17035	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	279.1705
Annotation	Phe Leu
Peak:m/z	Relative Intensity
54.81659	0.1
56.96507	0.2
57.07013	1.6
65.03857	0.3
79.05409	0.2
81.06969	0.3
85.02024	0.1
86.09629	7.2
91.05406	0.9
92.10927	0.3
93.06969	2.7
95.04881	0.4
98.97539	0.7
103.05408	7.6
103.06084	0.3
105.07017	0.3
116.98584	1.1
120.08060	100.0
121.02815	1.3
121.08418	0.5
128.98552	0.3
132.10193	1.0
134.99678	0.6
146.99649	0.3
149.02322	17.8
158.99788	0.2
167.03397	0.3
177.00731	0.6
190.96428	0.2
219.05624	0.2
233.16342	0.5
279.09161	0.2
279.12137	0.2
279.16928	2.9
279.19766	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00821	1.5
57.07008	10.2
66.89503	2.0
67.05415	3.3
69.06961	1.7
79.05409	28.5
81.06987	2.1
88.46505	2.0
95.04877	8.8
103.05421	14.4
105.06974	100.0
107.08495	3.8
121.02848	2.2
133.06445	44.1
135.08014	44.7
149.02322	65.6
151.07520	12.4
158.48526	2.1
219.05714	2.6
279.17844	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	279.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	5.2
55.88224	0.9
56.96496	6.2
57.03366	1.0
57.07016	9.1
60.65527	0.9
62.80749	1.1
65.03860	1.3
67.05428	23.9
69.06989	9.7
78.16892	0.9
79.05416	7.3
80.94776	1.1
81.06977	20.8
83.08535	1.1
93.06977	7.4
95.08536	17.8
98.48137	1.3
98.97499	8.3
107.08537	4.0
109.10100	6.6
116.98560	8.2
121.02818	8.7
121.10152	1.6
128.98572	1.8
134.99628	6.9
135.11691	1.7
146.99629	6.5
149.02325	100.0
150.02661	1.3
152.69072	1.0
153.00697	1.5
165.00644	1.5
167.03423	4.1
172.95221	4.7
177.00671	5.4
183.80627	1.1
189.00757	2.3
190.96275	5.5
192.91159	7.7
210.92142	15.8
219.05789	1.2
228.93288	1.5
233.93690	2.0
279.23154	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	279.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94722	0.9
55.05454	9.2
56.96494	7.2
57.07005	15.0
65.03857	1.7
67.05077	1.1
67.05425	24.1
67.88163	0.9
69.06984	8.0
70.21886	0.8
71.08531	5.0
79.05399	6.8
81.06966	29.9
81.20689	0.9
81.96487	0.9
82.59264	0.9
83.04879	1.0
83.08525	1.8
85.10093	1.9
89.77532	0.9
91.05401	7.1
92.10323	1.1
93.06967	8.8
95.04861	1.3
95.08521	18.4
98.97494	9.8
99.08028	1.8
104.89502	0.9
105.06962	2.2
107.08546	6.4
109.10092	4.0
110.97488	1.2
111.04385	4.3
113.09584	1.5
116.98573	14.0
119.08538	2.2
119.59048	0.9
121.02803	6.7
121.03611	0.9
121.10070	4.0
123.08006	1.4
123.11660	3.8
128.09192	0.8
128.98550	3.8
129.28934	1.0
131.08543	1.5
131.72887	0.9
133.10069	2.1
134.99620	14.1
135.11603	1.9
137.13307	1.4
146.99649	7.4
147.11543	1.7
149.02312	100.0
150.02643	1.3
153.00694	1.6
158.99684	1.6
167.03455	1.6
172.95203	3.6
173.13199	1.1
177.00655	7.6
189.00671	2.1
190.96265	1.5
192.91119	1.7
195.01733	1.1
210.92123	7.1
219.01732	1.2
251.19905	2.0
279.23105	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	279.2318
Annotation	4-[3-(4,8-Dimethyl-3,7-nonadienyl)-3-methyloxiranyl]-2-butanone
Peak:m/z	Relative Intensity
52.97437	2.2
54.24574	2.2
54.81517	2.0
55.05456	29.3
57.07001	10.4
61.67867	2.0
65.03866	3.2
67.05431	100.0
69.06989	28.2
71.04897	2.9
79.05403	29.5
81.06981	87.6
83.08521	13.4
91.05389	14.1
92.10235	2.8
93.06971	28.3
95.08539	71.6
97.06443	4.5
97.10084	3.6
98.97549	2.8
105.06960	15.5
107.08525	21.1
109.10107	28.5
111.08003	2.9
116.98528	4.4
117.06940	2.7
119.08486	5.5
121.10056	20.2
123.11655	8.9
123.49516	2.4
131.08499	3.5
133.10098	9.2
135.08122	2.4
135.11644	9.8
145.10139	3.4
147.11684	3.1
149.02336	55.9
155.18613	2.2
161.13225	3.0
181.20523	2.3
210.92128	4.0
243.21191	2.4
261.22049	4.4
279.23169	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	279.2315
Annotation	4-[3-(4,8-Dimethyl-3,7-nonadienyl)-3-methyloxiranyl]-2-butanone
Peak:m/z	Relative Intensity
53.03877	1.0
55.01802	2.0
55.05447	21.8
57.03375	1.4
57.07010	8.4
63.60617	1.0
65.03865	1.5
67.05428	97.6
69.06985	27.9
71.04914	4.6
73.05713	1.1
79.05412	26.9
81.06972	100.0
83.04900	2.2
83.08533	14.6
85.06462	2.3
91.05408	15.6
93.06969	26.0
95.04871	2.2
95.08531	79.7
97.06454	6.3
97.10093	6.9
98.97490	5.3
105.06982	11.1
107.08553	16.2
109.06473	2.0
109.10103	27.8
111.08062	2.3
116.98577	5.8
117.06982	2.3
119.08522	9.7
121.02779	2.2
121.10091	16.5
123.08044	2.5
123.11676	11.6
128.98540	1.9
131.08513	4.9
133.10107	6.5
134.99654	2.3
135.11668	7.8
137.09558	1.3
137.13252	2.3
145.10100	5.3
146.99652	1.8
147.11676	5.6
149.02318	35.1
149.13225	4.7
159.11656	2.3
161.13240	6.1
165.12732	2.2
173.13211	1.7
177.00754	1.3
179.14185	1.2
187.14841	1.4
207.01381	1.4
243.21057	2.7
247.69055	1.2
261.21970	9.1
279.23102	27.8
296.19983	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	279.2317
Annotation	4-[3-(4,8-Dimethyl-3,7-nonadienyl)-3-methyloxiranyl]-2-butanone
Peak:m/z	Relative Intensity
51.78692	0.7
52.12767	0.7
53.03889	0.9
54.05848	0.7
55.05452	9.3
56.97507	0.8
57.07016	1.5
64.70379	0.7
65.03861	2.1
67.05429	100.0
69.06995	7.6
72.65730	0.8
79.05409	14.2
81.06976	84.5
83.08551	2.1
91.05407	4.3
93.06966	11.4
94.07263	1.1
95.04939	0.9
95.08533	59.2
105.06996	2.1
107.08533	6.1
109.06454	1.2
109.10117	14.0
119.08575	1.8
119.33614	1.0
121.10111	4.1
123.11678	5.9
131.08559	4.0
133.10049	0.9
135.08029	0.9
135.11688	1.4
137.13243	3.4
145.10115	1.1
147.11752	1.0
149.02318	15.0
149.13188	1.8
159.11745	1.0
173.13168	1.6
195.13736	1.1
209.15326	1.1
279.23157	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	279.2317
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.00247	0.9
54.39179	0.6
55.05455	7.9
58.87846	0.7
65.03865	2.6
67.05428	100.0
69.06992	6.5
70.76605	0.7
71.04893	1.0
75.05043	0.6
79.05408	12.7
81.06975	86.8
83.08537	1.6
85.06479	0.9
88.66484	0.8
91.05402	3.9
93.06973	11.6
95.08536	66.1
105.06976	1.2
107.08540	6.4
109.10103	16.0
119.08514	3.1
121.10103	4.6
123.11684	7.6
131.08525	3.7
133.03464	0.8
133.10039	0.9
135.11688	4.0
137.13228	3.5
149.02318	5.3
149.09630	0.7
149.13193	1.2
159.11705	0.9
173.13196	3.0
177.12920	0.8
191.29552	0.8
209.15335	1.0
279.23077	11.1
280.97299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	4-[3-(4,8-Dimethyl-3,7-nonadienyl)-3-methyloxiranyl]-2-butanone
Peak:m/z	Relative Intensity
51.65364	1.4
54.06061	1.9
55.05438	12.9
57.06995	9.3
59.89632	1.8
61.82478	1.6
62.09424	1.7
62.11227	1.5
64.47185	1.6
64.95708	2.1
67.05426	100.0
69.06984	10.7
71.08532	4.0
73.36394	1.8
74.00375	1.9
79.05396	12.5
81.06979	92.7
83.04872	3.0
83.08546	3.1
91.05394	3.8
93.06956	12.2
95.07961	3.5
95.08530	77.3
99.08009	2.5
105.06979	3.2
107.08560	9.2
109.10118	20.1
117.06980	1.9
121.10075	4.4
123.11646	9.6
131.08513	3.0
135.11664	3.7
137.13249	2.8
147.11630	2.2
149.02312	51.8
151.14847	2.2
156.97426	7.5
174.98436	22.0
200.01643	7.0
210.92097	4.4
212.99921	18.0
215.99600	2.0
231.01143	2.5
270.75323	1.9
279.23145	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	279.2318
Annotation	4-[3-(4,8-Dimethyl-3,7-nonadienyl)-3-methyloxiranyl]-2-butanone
Peak:m/z	Relative Intensity
50.77803	1.4
51.08392	1.4
51.26805	1.3
54.81370	1.7
55.05452	9.5
57.07011	9.5
65.03853	2.9
67.05072	3.2
67.05429	80.0
67.05785	3.4
69.06984	8.5
79.05418	9.6
81.06979	71.6
83.08556	3.3
91.05383	1.8
93.06976	7.6
95.08540	54.6
107.08540	3.6
109.10104	17.4
121.02818	6.1
121.10120	2.0
123.11634	6.8
131.08560	3.9
135.11665	2.3
137.13242	1.9
149.02328	100.0
167.03314	2.3
167.35796	1.7
210.92235	2.1
219.05745	2.6
230.50505	1.8
249.19327	1.7
255.48106	2.1
276.01691	1.9
279.23083	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	279.2318
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
55.05260	0.5
55.05457	8.8
57.07005	3.6
64.62236	0.6
65.03864	3.0
65.89765	0.6
67.05429	100.0
69.06993	5.0
71.04897	1.2
74.92283	0.6
79.05408	9.6
81.06976	87.4
83.08541	3.3
85.06511	1.0
91.05415	3.1
93.06975	8.8
95.08534	61.3
97.10091	1.4
105.06985	2.9
107.08538	5.7
109.10108	29.3
117.06965	0.7
119.08541	1.4
119.80050	0.6
121.02866	0.8
121.10088	4.1
123.11656	11.9
127.83252	0.6
131.08560	1.6
133.10204	1.0
135.11655	2.5
137.13228	4.4
145.10159	1.2
147.11702	1.3
149.02316	18.7
196.10521	0.7
261.22067	1.4
264.25937	0.7
279.23117	11.6
292.37100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.129
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
53.63229	1.5
55.05448	2.2
56.04960	3.0
56.96498	8.3
57.07000	8.0
60.04443	1.9
62.77497	1.3
69.03338	2.6
70.02862	14.9
70.06501	2.2
74.82037	1.6
79.05397	3.0
81.03318	2.1
84.08021	3.4
85.02838	5.5
87.05517	44.5
88.03911	3.6
91.05403	100.0
92.10877	1.8
97.02834	1.9
98.02334	2.6
98.97511	7.2
103.05398	36.0
107.04886	13.1
112.68722	1.7
116.98554	9.0
120.08063	85.0
121.02792	2.6
127.03840	2.5
129.06917	4.0
130.06474	9.4
131.04878	15.8
133.06218	1.6
134.99609	9.0
136.99265	2.0
144.08014	3.1
145.06485	2.2
146.99640	2.8
147.09187	3.3
149.01160	3.3
149.02315	63.8
149.05948	2.1
150.02646	29.4
154.06503	6.3
157.06467	15.9
160.94170	1.7
166.08603	17.7
172.07539	26.6
175.08638	55.7
177.00616	2.9
182.05975	31.2
190.96378	2.1
200.07031	75.4
203.08141	2.9
221.09151	17.0
234.12396	3.3
245.09325	2.2
246.07524	28.0
263.10086	12.3
280.15750	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	280.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58613	1.2
55.01803	1.9
55.05457	12.5
56.04965	6.1
56.25870	1.1
57.03361	5.8
57.07008	2.9
59.03653	2.8
59.86182	1.1
67.05444	1.5
69.03345	18.3
70.02862	1.3
70.06496	2.9
71.04908	1.7
72.08070	91.1
73.02820	5.6
81.03313	2.1
81.06983	1.9
81.45880	1.1
82.06492	5.6
83.04874	1.9
84.04431	2.7
84.08070	74.6
85.02827	23.0
86.09624	13.2
87.03127	22.4
96.04386	1.8
96.08038	2.7
97.02823	21.1
98.90650	1.5
99.04383	6.6
100.03913	2.4
101.02254	1.5
102.09115	20.4
109.02787	2.0
110.05974	2.1
110.09586	2.1
112.03920	20.1
112.07543	1.7
114.05471	1.9
114.09109	17.4
118.08607	21.0
126.09108	5.8
127.03870	14.4
130.08612	26.7
143.05774	12.4
145.04944	2.0
150.09111	18.6
152.10608	2.1
154.08566	12.2
156.10199	5.1
161.06778	11.8
168.10240	2.1
180.10178	6.0
196.09700	16.3
198.11238	30.9
216.12271	90.9
234.13319	12.8
244.11757	47.3
262.12805	100.0
280.13867	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	3.2
55.05444	12.4
56.04958	4.2
57.03362	9.6
57.07001	3.0
59.03661	2.5
61.02859	2.4
69.03345	19.5
70.06498	4.1
71.04906	2.0
72.08069	100.0
73.02819	7.1
74.05984	1.9
77.40364	1.5
81.03324	4.1
82.06464	4.3
82.31767	1.6
84.04421	11.5
84.08066	57.9
85.02821	29.3
86.09625	13.0
87.03142	19.8
97.02831	22.8
98.98399	3.3
99.04361	7.5
102.09118	14.1
109.02811	2.4
110.05976	2.3
110.90131	1.7
112.03931	14.1
114.09117	18.2
118.08603	40.8
119.08912	3.1
126.09117	2.9
127.03877	16.3
130.08623	20.6
136.07600	1.9
137.88866	1.8
138.05528	2.5
143.05775	6.5
145.04921	2.6
149.02327	11.8
150.02654	7.6
150.09105	18.9
154.08621	7.4
161.06781	11.2
168.10252	2.3
180.10184	2.6
196.09694	14.6
198.11220	30.2
216.12285	79.3
226.06920	2.1
234.13264	8.3
244.11729	39.5
262.12811	97.9
280.13803	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	281.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	1.8
55.01809	2.2
55.93460	2.9
56.94239	5.0
56.96502	2.0
62.12975	1.0
63.21454	0.9
69.03368	1.8
69.50169	1.1
70.95779	26.0
72.93700	56.1
80.28473	1.1
81.03338	2.5
88.96833	19.1
90.94746	40.7
98.97517	7.9
100.96823	2.5
104.99146	2.0
106.97891	2.9
108.95833	11.8
113.96351	9.8
116.96291	5.3
116.98548	6.7
125.96083	1.3
128.96338	10.8
129.99500	1.2
130.97821	1.7
131.97429	12.1
132.95775	15.3
134.97354	7.0
134.99632	5.0
136.95308	1.5
142.97864	21.9
144.95740	1.2
146.97366	19.3
148.98943	2.7
149.02266	2.4
150.02629	4.5
150.96857	33.9
156.95796	1.4
160.98932	32.8
162.96854	8.8
170.97357	47.4
172.95294	1.7
172.98911	2.9
174.96866	6.8
184.00485	1.7
184.95357	2.1
186.96858	8.6
188.98399	83.8
190.96375	4.9
191.00044	2.1
192.91019	1.4
192.97954	5.9
198.25369	1.2
198.96837	24.2
202.96416	9.5
204.97903	13.8
207.96788	1.8
209.98470	5.7
210.92078	2.5
211.99950	1.7
216.97902	89.9
225.98021	1.7
227.99489	2.6
234.92160	1.6
234.98955	100.0
239.99495	79.8
253.78212	1.3
257.97916	1.7
258.00562	32.9
281.02109	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	281.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07635	0.9
55.05441	2.2
56.96502	12.1
61.32051	0.9
61.55164	1.0
67.05414	1.4
69.03335	6.0
72.36517	1.0
81.06991	2.0
85.02828	2.0
91.05403	24.9
93.06998	2.0
97.02803	2.0
98.97494	5.8
103.05402	10.2
105.06953	2.0
110.97485	1.5
115.05400	23.4
116.06191	18.0
116.98591	9.0
117.06971	20.7
119.08534	1.3
120.08073	1.3
127.05370	2.4
128.06194	14.4
128.98540	1.6
129.06964	42.4
131.04892	14.9
131.08531	35.7
133.06453	1.7
133.10138	1.2
134.99631	4.1
137.05959	8.9
141.06935	13.7
143.04901	2.4
144.05681	45.4
145.06462	38.6
146.07289	1.8
146.99631	2.3
147.04353	2.2
147.07985	2.4
149.02289	1.3
150.02675	1.3
155.04855	6.5
155.06015	8.8
156.05714	11.5
157.06465	38.7
158.07251	4.8
159.04411	2.0
159.06812	2.0
159.08029	45.0
160.05153	6.5
161.05977	11.0
162.03127	1.2
167.06996	10.3
169.07608	4.2
170.03581	1.8
172.05147	5.8
173.05933	32.8
174.06700	8.5
175.03882	1.4
175.07512	9.5
184.05139	2.3
185.05937	32.7
186.06723	1.7
187.03786	1.6
187.07507	17.4
188.04691	4.5
189.05478	10.9
189.09016	4.3
190.06180	5.2
191.07004	4.8
192.91103	2.5
201.05389	1.6
202.06310	10.1
203.07002	23.8
204.07780	34.9
205.08452	2.3
210.92099	10.1
217.08568	26.9
218.05910	1.3
219.10017	1.2
220.03474	1.3
230.05629	4.3
231.06540	10.4
233.08009	8.2
234.92212	5.7
235.05988	9.2
237.02797	2.5
245.08095	8.3
248.06674	1.2
252.93173	5.0
263.09094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	1.1
56.96487	3.8
57.06990	0.9
63.02319	0.5
69.03323	1.0
70.06509	7.8
70.23792	0.5
72.08055	0.8
73.02816	1.0
76.43570	0.6
76.80869	0.6
79.03387	0.6
83.04876	0.9
83.08523	0.7
84.08044	0.8
85.02806	1.4
88.07554	7.2
89.03832	6.6
89.61679	0.5
91.05395	0.9
98.97519	2.9
105.10227	4.4
116.98591	4.6
117.03326	32.5
127.03886	1.0
129.59557	0.7
130.06465	0.8
134.03583	0.9
134.99634	2.9
135.04385	2.5
136.06152	2.6
136.07530	0.8
145.02823	98.0
146.03178	1.4
147.23465	0.6
149.02284	0.7
149.05962	10.8
150.02635	1.0
161.01114	0.7
163.03842	0.9
177.05434	100.0
178.05785	0.7
230.03284	8.4
234.11218	3.4
240.01744	1.5
248.04282	3.3
258.02832	10.1
263.13898	5.7
281.14874	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	281.2473
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
54.81740	2.3
55.01814	2.6
55.05454	84.6
57.03354	3.1
57.07013	22.3
63.30758	1.6
67.05426	48.6
69.06989	100.0
69.20966	2.0
71.04898	3.1
71.08552	4.6
71.66114	1.7
79.05416	18.8
81.06973	61.8
83.04898	3.2
83.08028	2.3
83.08536	59.6
85.06458	4.4
85.10087	3.3
91.05403	19.9
93.04096	2.0
93.06968	29.1
93.95280	2.0
95.07948	3.5
95.08530	59.4
97.06458	8.6
97.10097	38.3
105.06974	23.7
107.08549	23.1
109.10103	25.1
111.08038	2.0
111.11657	9.6
119.08550	23.1
120.45634	1.8
121.10078	12.6
123.07963	2.0
123.11646	13.8
125.09597	2.0
133.10100	23.3
135.11674	8.0
137.09547	4.0
147.11687	15.6
149.13249	4.5
151.11113	2.8
161.13194	8.3
163.14801	2.7
167.14278	2.1
171.11711	3.7
175.14787	6.9
179.14273	2.5
189.16524	2.4
197.13228	4.7
213.12762	9.5
221.13248	4.3
224.30611	1.8
235.14737	4.5
245.22659	13.7
249.44322	1.8
263.17944	8.6
263.23816	15.3
281.18964	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2473
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
53.03874	1.9
53.78297	1.2
54.95615	1.3
55.05453	82.1
57.07011	22.6
57.70995	1.4
60.08727	1.6
67.05431	44.0
69.06989	100.0
71.04907	3.1
71.08554	7.0
79.05408	15.9
81.06506	3.0
81.06976	56.3
83.04906	6.6
83.08541	53.4
85.06470	3.4
91.05399	17.5
92.10959	3.5
93.06969	26.0
95.08542	53.8
97.06447	11.3
97.10102	43.5
105.06985	15.0
107.08540	19.8
109.06444	2.8
109.10109	23.2
111.08056	2.0
111.11682	10.6
112.77239	1.9
113.09563	1.9
119.08537	13.3
121.10088	16.4
123.08056	2.1
123.11637	7.4
125.13238	1.8
133.10109	13.2
135.11659	11.1
137.09532	2.6
137.13213	2.7
147.11684	11.3
149.13223	3.4
151.11205	2.0
151.14853	1.9
161.13242	6.8
163.14777	3.4
173.31755	1.7
175.14790	2.1
179.14317	1.7
179.85010	1.6
221.22598	1.9
245.22652	10.7
263.23660	10.3
281.24771	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	282.1197
Annotation	N6-Methyladenosine
Peak:m/z	Relative Intensity
55.01803	0.8
55.05438	0.4
56.96502	5.2
57.03368	1.1
61.93757	0.2
68.04955	0.4
69.03343	0.8
69.06974	0.3
69.55503	0.2
71.01266	0.3
72.08073	2.6
72.95914	0.2
73.02813	0.5
74.49663	0.2
76.09730	0.2
81.47127	0.2
84.08053	0.4
85.02824	1.1
91.05422	0.4
92.02442	0.2
97.02802	0.4
98.97503	0.3
108.05569	1.2
109.05057	0.8
114.05480	1.3
115.03898	0.3
116.98586	0.4
118.06554	0.3
120.04414	0.3
120.08041	2.1
121.08406	1.4
133.05072	7.2
134.99611	0.3
136.06181	0.9
136.07535	1.5
137.07866	1.0
150.07729	100.0
151.08083	0.9
167.00012	0.3
176.03792	0.3
178.05376	0.8
194.01068	1.0
194.04910	0.9
196.06474	0.8
219.02890	0.2
222.04330	1.3
226.36629	0.2
240.05396	2.3
243.83025	0.2
250.09303	0.3
264.05435	0.9
282.11880	7.2
282.14844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1197
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
51.13395	0.2
51.83685	0.2
52.95644	0.2
55.01810	0.5
55.05448	0.6
55.93446	0.2
56.96485	1.4
57.03362	1.5
57.06981	0.2
59.04926	1.3
61.02855	0.9
62.35388	0.2
63.51712	0.2
66.00106	0.2
67.05419	0.9
69.03348	4.1
69.06987	0.4
70.06496	0.4
70.51727	0.2
73.40997	0.3
75.04391	0.3
79.05390	0.2
81.03303	0.2
81.07001	0.4
84.77417	0.2
85.02831	2.0
85.06491	0.2
87.04384	1.2
87.45655	0.2
92.05749	0.4
97.02820	1.2
98.97540	0.4
101.05960	1.7
103.07497	1.0
116.98560	1.0
117.93578	0.2
119.03517	1.5
119.04925	0.3
120.04399	0.4
126.32978	0.2
131.97437	0.4
134.99661	0.6
136.06161	100.0
137.04565	1.5
137.06522	1.0
137.07893	0.5
153.34398	0.2
235.01244	0.3
282.11765	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	282.1195
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
53.48355	0.2
53.69098	0.2
55.01821	0.3
57.03366	1.2
58.53698	0.2
59.04933	1.0
61.02837	0.3
61.16734	0.2
65.69482	0.2
69.03352	2.4
71.01269	0.3
75.04415	0.5
83.67300	0.2
85.02852	0.5
87.04380	0.5
94.03984	0.9
97.02848	0.4
101.05961	1.7
115.05821	0.2
119.03507	1.5
136.06168	100.0
137.04584	1.2
137.06514	0.3
205.44107	0.2
225.94038	0.2
260.46848	0.3
282.11957	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	282.1193
Annotation	N6-Methyladenosine
Peak:m/z	Relative Intensity
54.93069	0.2
55.01802	1.1
55.05444	0.3
56.96502	1.1
57.03362	1.3
57.04492	0.3
61.02866	0.2
69.03334	0.5
69.06989	0.3
70.06500	0.3
71.01265	0.4
73.02801	0.3
74.02367	0.3
85.02815	1.0
87.04337	0.3
88.03922	0.5
94.03975	1.2
95.08525	0.4
97.02813	0.9
98.97518	0.3
115.45309	0.2
116.98569	0.6
120.04459	0.3
120.08063	1.6
121.06499	0.3
121.08376	2.1
123.06618	1.1
128.48264	0.3
130.06491	0.3
134.99629	1.4
136.06171	0.5
137.06497	0.4
144.32683	0.2
150.07729	100.0
151.08095	0.3
163.59303	0.2
167.08928	0.4
198.23013	0.3
201.07474	0.4
217.00150	0.9
235.01225	0.4
244.65419	0.3
268.64493	0.2
270.05237	0.3
277.00668	0.3
282.11935	8.1
294.87650	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1196
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
52.10303	0.3
53.46788	0.3
55.01803	0.5
56.96484	0.7
57.03368	1.5
59.04922	0.6
61.02835	0.4
69.03358	3.1
75.04396	0.6
75.96142	0.3
85.02818	0.9
87.04385	0.4
94.03976	0.5
97.02818	0.6
98.97489	0.7
101.05963	0.8
103.07500	0.6
116.98540	0.8
119.03526	0.5
123.07858	1.5
124.08241	0.6
136.06168	100.0
137.04570	2.1
147.06345	0.4
148.91614	0.4
199.83345	0.4
282.11862	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	282.279
Annotation	Stearamide
Peak:m/z	Relative Intensity
51.49182	0.6
55.05437	3.4
57.07020	7.6
69.06979	4.8
69.07303	0.5
70.06490	0.6
71.08530	4.1
72.04063	0.8
72.04433	14.6
72.08070	36.7
81.06960	0.9
83.08509	1.3
89.33027	0.7
97.10136	0.7
98.05945	1.0
100.07562	0.8
128.10660	3.0
141.27850	0.7
142.12227	2.5
146.96780	0.6
151.51805	0.5
167.36438	0.6
170.03093	0.6
238.41116	0.7
257.77060	0.7
282.27859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80321	0.2
56.96490	0.9
57.07027	0.2
59.10656	0.2
62.51385	0.2
67.15908	0.2
80.31071	0.2
98.97520	0.4
101.00806	0.4
110.07101	0.5
116.98589	0.4
119.01883	9.3
134.99789	0.4
137.02940	7.0
153.00891	1.2
156.92656	0.2
158.99849	0.4
161.01067	0.2
163.04292	0.2
173.01239	0.5
177.00926	23.6
182.99831	0.3
189.00580	0.4
193.04103	0.3
195.01941	0.9
201.00752	1.3
217.04030	4.2
217.08011	0.2
219.01970	35.8
220.02116	0.8
225.00729	1.7
231.01756	0.2
237.02921	0.4
242.03500	0.2
243.01857	2.5
261.03012	100.0
262.03232	2.1
263.03403	0.2
263.14331	0.2
279.00696	0.3
284.04587	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	284.0985
Annotation	Guanosine
Peak:m/z	Relative Intensity
56.48503	0.1
57.03363	0.2
64.33676	0.2
69.03318	0.2
73.02783	0.2
93.52087	0.2
109.05070	0.7
110.03477	2.8
113.10666	0.2
128.04526	1.8
133.76118	0.2
134.04567	0.3
135.02985	4.9
152.05646	100.0
153.04050	13.2
156.57986	0.2
160.76695	0.2
266.51022	0.2
291.96405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14399	0.3
53.03874	0.5
56.96503	5.6
57.06064	0.3
57.07000	2.0
65.03878	3.0
67.05417	0.8
69.03334	1.0
70.06512	0.5
71.08546	0.9
82.04105	0.7
85.02814	2.8
85.10120	0.5
91.05405	3.0
92.10892	0.4
95.04877	0.5
97.02818	0.6
97.06445	0.9
98.97508	1.8
108.02011	0.5
109.83965	0.4
110.03558	1.7
111.04381	1.0
116.98551	1.7
125.05952	0.9
134.99623	0.7
138.03102	1.7
142.02596	2.1
152.05649	1.6
153.05490	0.5
155.00188	1.7
158.99510	0.4
161.01212	0.8
164.04744	0.5
170.02087	1.0
171.06473	7.1
171.24356	0.5
173.01202	5.4
179.02280	0.5
179.10078	0.4
181.04921	100.0
182.05240	0.5
189.00670	2.4
191.02277	2.6
201.00670	3.9
207.01894	1.5
219.01744	4.7
222.40616	0.4
225.07539	97.8
226.07915	0.9
237.02704	2.4
244.72670	0.5
261.02713	2.0
268.36685	0.5
284.14902	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	284.2945
Annotation	Stearamide
Peak:m/z	Relative Intensity
57.07010	12.8
60.04466	1.9
60.08084	1.2
71.08538	4.6
72.04427	4.9
76.56884	0.9
83.08525	0.9
88.07545	1.2
91.79675	0.9
100.07589	0.9
102.09097	5.1
116.10670	8.1
116.18122	1.0
130.12247	4.8
284.29443	100.0
284.32846	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	284.2944
Annotation	Stearamide
Peak:m/z	Relative Intensity
51.97594	0.7
53.04514	0.7
55.05431	0.8
57.07011	11.8
63.03369	0.7
66.10754	0.9
66.56844	0.6
71.08536	3.3
72.04421	7.1
92.10315	1.2
102.09090	4.1
116.10679	6.0
130.12169	1.3
133.85236	0.8
162.72763	0.9
193.12990	0.9
199.93289	0.8
284.29419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2946
Annotation	Stearamide
Peak:m/z	Relative Intensity
57.07014	18.7
59.00506	1.1
60.04443	7.4
60.08089	8.3
61.51604	1.3
64.70583	1.3
69.06985	1.8
69.20269	1.1
71.08547	3.0
74.09629	43.8
95.02235	1.3
107.08549	1.4
159.96999	1.5
255.47324	1.2
284.26230	3.4
284.29425	100.0
284.33023	29.0
284.94473	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	284.2944
Annotation	Stearamide
Peak:m/z	Relative Intensity
53.00238	0.6
54.10725	0.2
55.05437	1.5
57.03347	0.3
57.06740	0.5
57.07013	13.7
60.08075	0.4
61.90472	0.3
67.05420	0.2
69.06973	1.1
71.04888	0.6
72.04428	8.6
81.06970	0.4
83.08517	0.3
85.10099	1.1
87.06741	0.4
88.07536	1.1
95.08533	0.5
100.07533	1.0
102.09119	4.2
116.10674	6.2
130.12198	2.8
133.58606	0.3
144.13838	0.4
149.43689	0.3
284.29422	100.0
285.29941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0828
Annotation	Xanthosine
Peak:m/z	Relative Intensity
55.01815	13.0
56.64692	0.5
56.96486	1.1
57.03379	17.9
57.06999	1.0
59.04932	7.6
59.37653	0.5
60.05249	0.8
61.02861	5.7
66.32240	0.4
69.03354	11.1
70.06497	1.3
71.01276	6.6
71.08539	0.6
73.02827	11.4
84.04428	1.1
85.02829	13.1
87.04398	8.2
88.04695	1.2
97.02821	6.4
103.03857	2.5
105.05440	4.2
106.05824	0.6
110.03480	9.2
110.07085	0.5
111.00184	0.6
115.03903	4.4
126.75552	0.6
128.04486	1.1
130.25560	0.6
133.04930	7.3
136.01401	19.3
147.04352	1.0
151.39027	0.6
152.05664	7.3
153.04059	100.0
153.06049	2.4
154.02463	20.1
157.10364	0.6
177.05434	3.8
202.04489	0.5
234.15837	0.6
276.18713	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.092
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
53.03875	0.8
54.14119	0.9
54.38029	0.9
54.81806	0.8
55.93480	0.9
56.04146	1.0
56.96495	5.3
57.03359	2.1
67.60698	1.0
69.03343	2.3
70.06510	18.0
72.08069	14.8
72.93707	1.2
74.74757	1.2
80.04937	1.9
81.03347	1.1
84.04433	4.1
84.08077	1.1
85.02835	7.4
85.89465	0.9
86.06033	1.1
86.09630	1.7
87.57217	0.9
90.94755	1.8
96.04417	4.1
97.02798	2.0
98.97573	1.1
106.02842	10.4
110.70750	1.0
116.07027	16.7
116.98619	1.1
124.03914	100.0
127.03903	1.4
134.99628	1.2
143.11761	5.6
161.01109	1.2
164.02266	1.5
167.97136	2.3
203.02292	1.4
228.47586	1.2
251.13243	1.1
268.07913	1.3
286.09189	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	286.1761
Annotation	Leu-Gly-Pro
Peak:m/z	Relative Intensity
55.05449	1.0
56.04979	0.8
56.89426	0.7
56.96496	3.7
57.06998	1.1
65.03857	0.8
69.03350	3.5
69.06988	5.8
70.06510	58.9
71.04930	0.9
71.08554	1.3
75.05513	3.8
79.05408	1.8
81.03339	1.6
81.82974	0.8
83.89332	0.8
84.08065	1.4
85.02837	1.8
86.09628	58.9
90.94760	1.0
96.08058	3.5
97.02839	4.5
97.06454	1.7
98.97544	1.2
110.03578	1.0
110.07171	0.8
111.04429	1.3
114.09122	100.0
116.07044	68.1
116.07872	1.9
116.98543	2.0
118.08599	8.6
119.01853	1.6
125.05960	6.9
131.01884	1.2
131.11835	2.8
134.99652	1.2
139.03844	0.8
143.11789	25.7
145.03467	3.4
145.06528	1.0
151.03972	6.3
151.04965	1.1
153.05440	9.8
154.06070	0.9
157.03418	0.8
161.02888	1.8
161.05914	1.0
163.04260	0.8
167.06999	1.6
167.97177	1.5
169.03398	1.3
171.11234	3.7
173.02975	1.7
185.08072	9.4
187.04536	3.9
203.03992	1.2
219.01758	1.1
221.04994	1.1
227.17415	1.3
251.09050	1.2
269.18362	1.2
286.11899	1.0
286.21161	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	286.1761
Annotation	Leu-Gly-Pro
Peak:m/z	Relative Intensity
55.05449	1.0
56.04979	0.8
56.89426	0.7
56.96496	3.7
57.06998	1.1
65.03857	0.8
69.03350	3.5
69.06988	5.8
70.06510	58.9
71.04930	0.9
71.08554	1.3
75.05513	3.8
79.05408	1.8
81.03339	1.6
81.82974	0.8
83.89332	0.8
84.08065	1.4
85.02837	1.8
86.09628	58.9
90.94760	1.0
96.08058	3.5
97.02839	4.5
97.06454	1.7
98.97544	1.2
110.03578	1.0
110.07171	0.8
111.04429	1.3
114.09122	100.0
116.07044	68.1
116.07872	1.9
116.98543	2.0
118.08599	8.6
119.01853	1.6
125.05960	6.9
131.01884	1.2
131.11835	2.8
134.99652	1.2
139.03844	0.8
143.11789	25.7
145.03467	3.4
145.06528	1.0
151.03972	6.3
151.04965	1.1
153.05440	9.8
154.06070	0.9
157.03418	0.8
161.02888	1.8
161.05914	1.0
163.04260	0.8
167.06999	1.6
167.97177	1.5
169.03398	1.3
171.11234	3.7
173.02975	1.7
185.08072	9.4
187.04536	3.9
203.03992	1.2
219.01758	1.1
221.04994	1.1
227.17415	1.3
251.09050	1.2
269.18362	1.2
286.11899	1.0
286.21161	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	287.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00253	2.2
55.05186	0.5
55.05452	15.3
57.07012	4.3
59.98862	0.3
62.06017	0.6
67.05434	0.7
69.06989	100.0
69.74533	0.3
70.73957	0.3
71.04905	2.5
71.08543	0.5
79.05386	0.3
81.06986	0.4
83.08548	4.4
83.10230	0.3
89.05965	0.6
93.06983	0.6
97.06441	0.4
111.11668	46.5
114.36797	0.3
149.13339	0.3
164.50450	0.3
185.65410	0.3
199.16885	3.4
203.12772	0.3
268.29996	0.5
286.30975	2.7
287.31403	2.3
302.19934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1919
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
50.65218	0.4
53.03897	0.5
55.01809	0.5
55.05451	0.9
56.04960	0.4
56.96496	2.4
60.04457	0.6
67.05441	0.4
69.03339	0.6
69.06990	12.3
70.06509	3.2
72.08070	14.9
75.05524	7.6
79.05421	0.9
81.06985	0.6
83.04893	0.6
84.04438	2.6
84.08068	1.1
85.29613	0.4
86.09628	100.0
87.09966	0.6
91.05381	0.5
93.06969	0.9
98.97531	0.6
107.08533	0.6
110.07055	0.5
116.98589	1.8
118.08600	6.1
119.08634	0.5
121.06532	0.5
127.03891	0.7
129.10208	3.8
130.06454	0.5
134.99707	1.4
143.11780	22.8
145.02834	0.9
171.03807	0.4
171.11272	7.2
175.10779	2.1
201.00848	0.5
211.08809	0.7
223.12198	0.4
227.11336	0.7
252.23990	0.5
261.02829	0.9
288.10779	0.5
288.18958	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	288.1916
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
52.79134	0.5
53.03895	0.6
55.01802	0.9
55.05448	9.2
56.04960	0.5
56.96499	2.5
57.03359	0.6
57.07006	2.8
61.02850	0.9
61.91553	0.4
62.93510	0.5
65.03877	0.7
66.15009	0.5
66.58335	0.5
69.03336	2.3
69.06980	0.5
70.06515	2.1
71.04898	1.1
71.78704	0.6
72.08066	100.0
72.44762	0.5
79.05417	0.6
81.03352	0.9
81.06982	0.6
84.04424	1.0
84.08059	1.4
85.02824	6.9
86.09624	31.5
91.05399	30.0
95.08521	0.8
97.02827	5.0
97.06490	0.5
98.97508	1.1
99.04404	0.8
116.98573	0.8
117.06963	0.7
127.03881	1.0
129.09219	1.2
129.10191	37.1
131.00098	0.6
132.10161	8.4
134.99629	0.8
142.06505	0.6
143.11775	6.7
145.04918	1.3
146.99605	0.9
157.09714	9.4
159.09096	0.8
161.01291	0.6
189.12334	3.0
217.08493	0.6
218.78502	0.7
219.01746	0.6
242.17545	0.8
282.83774	0.7
289.47256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81240	0.8
56.48172	0.6
57.07013	19.4
58.06534	0.9
60.00523	0.7
61.46350	0.8
64.32876	1.0
65.30318	0.6
70.06510	27.5
71.08553	7.7
81.28802	0.7
85.10105	1.4
88.07558	30.3
102.09125	8.2
106.08624	14.6
106.13292	0.7
140.80141	0.8
185.10529	0.8
244.26515	0.7
270.27850	9.3
288.28918	100.0
289.29309	2.9
301.25000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60192	0.9
52.71729	0.8
57.06742	1.7
57.07010	38.2
70.05905	1.1
70.06510	35.7
71.08542	17.7
82.77594	1.0
85.10101	7.1
88.07550	51.8
92.64836	0.9
102.88850	0.9
106.08606	53.1
133.76991	1.1
175.12440	1.0
216.81183	0.9
245.04236	0.9
270.27707	1.4
288.28900	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1643
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
52.08518	1.4
53.03886	2.0
55.01814	4.0
55.05453	14.5
56.96484	2.0
59.04922	1.8
59.98996	1.5
60.15235	1.5
62.27234	1.6
67.05430	27.4
69.03336	2.3
69.06984	29.2
71.04897	20.3
73.90733	1.7
79.05406	31.7
81.06976	70.5
83.04897	27.6
83.08532	9.5
85.06464	12.9
86.97691	1.6
91.05406	24.8
93.06974	100.0
95.04881	31.4
95.08525	44.0
97.06471	49.1
99.04390	33.4
101.05936	2.1
105.06982	56.9
107.04877	7.0
107.08554	42.3
109.06470	38.0
109.10095	3.9
109.33935	2.0
111.08030	38.2
113.05964	7.0
117.06969	3.0
119.08536	34.1
121.06462	94.2
121.10096	10.7
121.39178	1.5
123.04349	2.6
123.07982	7.4
123.11682	18.9
125.05946	17.8
127.07503	12.8
129.06984	6.8
131.08565	5.8
133.10095	33.8
135.04344	3.0
135.08015	14.9
135.11656	1.8
137.05966	3.8
139.07518	27.1
141.05420	2.3
142.07764	7.9
143.07013	9.5
143.08537	11.5
145.10118	9.0
147.08012	6.8
147.10483	2.8
147.11661	70.7
149.09543	3.0
149.13240	2.5
151.11148	10.2
153.09073	2.8
156.09291	3.4
157.08585	7.6
157.10083	22.7
159.06505	10.5
160.24080	1.6
161.13220	13.1
165.12706	25.1
166.07701	2.3
169.12212	26.6
171.10422	2.1
171.11674	17.6
173.09659	3.2
175.11124	40.0
177.30428	1.6
181.10066	4.0
184.08798	3.4
189.12703	21.3
193.12173	34.5
195.31642	1.9
199.11121	28.0
207.13780	12.0
211.13239	26.4
217.12189	71.5
229.14316	7.9
235.10995	3.2
235.13251	57.7
253.14293	39.7
254.16548	1.8
271.15268	2.7
289.16476	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	289.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	2.7
55.01812	13.6
55.05459	16.2
56.96515	8.4
67.05437	26.4
69.03356	11.9
69.06995	29.6
71.04915	22.0
73.69289	2.1
74.91798	1.8
75.07954	2.0
76.28442	2.0
79.05412	33.2
81.03350	3.5
81.06976	87.1
83.04903	30.9
83.08529	11.0
84.04457	3.6
85.06041	2.1
85.06449	17.5
90.05714	2.5
91.05403	26.0
93.06976	98.8
95.04916	33.0
95.08534	57.4
97.02837	3.0
97.06466	46.8
99.04393	35.7
105.06982	70.6
107.04885	3.8
107.08540	46.1
109.06475	41.4
109.10108	10.1
111.04398	3.5
111.08033	43.7
113.05970	10.3
117.07008	3.6
119.08551	33.2
121.06464	100.0
121.10115	4.4
123.04359	4.0
123.08007	10.8
123.11680	18.9
125.05949	19.5
127.07542	17.1
129.06935	4.8
131.08536	10.4
132.04420	4.1
133.10132	35.2
134.99635	2.7
135.04439	4.5
135.08025	27.5
139.07547	25.6
141.05411	2.9
142.07779	9.6
143.07076	10.2
143.08588	10.3
145.10115	15.8
147.08063	12.6
147.11678	77.4
151.11214	12.8
156.09352	4.1
157.08612	9.3
157.10115	22.6
159.06476	10.6
160.08844	2.8
161.13214	12.2
165.12682	23.9
166.07802	3.8
169.12207	35.7
171.11690	12.8
173.09608	3.3
175.11145	42.7
181.10136	4.3
184.08783	2.5
189.12755	21.5
193.12206	30.3
199.11166	30.4
207.13782	9.9
211.13248	25.7
217.12206	72.4
217.14159	4.3
225.40703	2.6
229.14359	9.5
235.13248	74.2
235.15543	2.6
243.02095	2.5
253.14304	47.9
290.13733	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	289.2373
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
54.78437	3.9
55.05450	84.7
57.07008	5.5
57.44187	3.9
67.05431	75.3
68.18370	4.3
69.06992	100.0
79.05411	36.1
81.06988	82.7
83.08543	63.3
85.06499	4.9
85.78252	5.0
91.05404	23.2
93.06988	51.2
95.04893	6.7
95.08536	82.9
96.60014	4.7
97.10104	29.2
99.08084	6.7
105.06969	23.5
107.08514	28.7
108.43841	4.6
109.10105	28.0
119.08498	25.2
121.10089	28.7
123.11706	5.0
133.10085	29.7
135.11662	22.6
137.09491	6.3
147.11647	18.9
161.13153	7.4
165.12701	5.9
198.70438	5.1
206.55170	6.3
217.19478	20.4
228.32004	4.6
235.20477	19.1
304.88675	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	289.2523
Annotation	(E,E,E)-3,7,11,15-Tetramethyl-1,6,10,13,15-hexadecapentaen-3-ol
Peak:m/z	Relative Intensity
55.05439	4.9
56.51149	1.0
61.83006	0.9
65.03848	1.2
67.05407	6.5
69.06984	13.2
76.30150	1.0
79.05410	2.0
80.36417	1.0
81.06966	11.9
83.08531	1.6
87.26246	1.1
91.05396	2.2
93.06959	14.3
95.04893	100.0
95.08527	7.9
97.10087	1.4
105.06973	2.6
107.08566	7.9
109.06449	7.7
109.10090	4.7
119.08517	5.5
121.10055	4.9
123.07975	1.6
123.11677	2.3
133.10066	2.4
135.11646	1.5
137.09630	1.8
147.11591	1.2
149.13226	1.2
154.88466	1.1
156.71031	1.0
175.14847	1.2
189.81770	1.1
289.25220	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2523
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
55.05442	4.6
57.07014	1.1
65.03857	1.6
67.05437	8.8
69.06987	14.0
78.90269	0.7
79.05395	4.9
81.06966	10.8
83.08547	1.6
91.05416	3.2
93.06969	10.5
95.04893	100.0
95.08534	8.2
97.10056	0.7
105.06968	6.5
107.08530	8.9
109.06474	7.2
109.10095	5.0
119.08528	4.6
121.10094	4.5
123.08015	1.0
123.11662	3.0
131.08553	1.1
133.10103	2.7
135.11635	2.8
137.09550	0.7
145.10130	1.2
147.11655	2.7
149.09639	0.9
149.13260	0.8
149.97134	0.7
155.99051	0.7
159.11658	1.5
188.70132	0.7
190.45448	0.7
271.24243	1.2
289.25140	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	289.2523
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.46590	1.6
55.05442	3.9
57.06983	2.6
64.05325	1.8
65.03849	3.3
67.05422	13.3
69.06989	14.9
79.05405	3.2
81.06973	18.8
81.35105	1.7
83.08530	2.0
91.05408	8.5
91.78163	1.7
93.06962	40.7
95.04893	100.0
95.08517	9.6
105.06948	12.9
107.08541	10.1
109.06443	3.4
109.10104	3.0
112.65397	1.7
119.08594	6.3
121.10080	7.8
123.11631	2.7
133.10068	2.5
135.11690	1.8
139.76723	1.8
145.10123	2.1
147.11688	7.3
147.34827	1.8
159.11623	2.5
173.13187	2.5
177.16315	1.7
233.18883	2.0
242.69069	1.8
289.25082	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	290.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	1.6
55.05444	4.1
56.04972	55.2
56.96504	1.3
61.01087	7.6
67.05427	17.6
69.03341	1.5
69.06981	8.5
70.06487	1.7
71.04891	5.9
72.81260	0.9
73.01049	30.8
73.41724	1.0
74.02339	1.5
74.05970	1.7
75.02587	1.7
75.56165	0.9
79.05415	9.2
81.06971	10.8
82.06499	1.5
83.04894	1.2
83.08536	1.1
84.04422	3.9
84.08045	1.9
85.01043	1.9
85.02827	1.5
85.06442	1.3
87.02610	11.9
88.02131	13.1
88.03889	0.9
90.03701	17.4
91.05408	12.2
92.04902	1.4
93.06433	1.3
93.06973	18.9
95.04894	4.1
95.08524	19.5
95.70011	1.1
96.08060	1.8
96.21199	1.0
97.01047	3.8
97.06432	3.8
97.10116	1.1
98.97472	1.1
99.02599	5.2
99.04346	1.1
100.02118	1.4
100.03918	2.0
102.03676	1.9
102.05476	6.0
105.06987	4.0
107.08528	10.6
109.06474	4.4
109.10105	16.5
111.02570	1.5
111.04431	1.0
111.08013	5.7
113.04161	5.7
113.05954	1.8
116.98638	1.5
119.08546	9.6
121.10097	6.1
129.06987	1.0
130.06535	4.0
131.08513	5.0
133.10103	1.4
134.02631	1.2
134.99606	1.1
135.07996	4.8
136.11169	1.6
137.09590	14.8
139.11072	1.0
146.02669	5.0
149.09581	2.3
153.07249	1.1
154.12253	9.3
157.10052	1.1
159.11720	1.0
165.07201	1.0
172.13268	6.9
175.11090	1.4
180.13814	1.3
191.08842	1.7
192.13766	6.1
198.14870	5.4
201.09412	1.6
203.10866	2.2
209.09903	6.5
210.14862	8.4
226.12538	14.0
227.10970	4.0
244.13577	25.8
254.11981	4.7
272.13028	8.0
273.11145	1.1
290.14114	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17232	0.8
57.06776	1.2
57.07013	23.4
58.06528	2.2
70.06510	43.0
71.08540	3.8
72.08056	1.3
75.06390	0.9
84.20972	0.8
85.10114	1.5
88.07557	53.8
92.64169	1.1
102.08488	1.2
102.09125	28.6
132.10199	1.1
146.11737	1.9
184.20592	1.7
202.21658	1.2
228.23198	80.8
240.50359	1.0
272.25925	7.0
290.26834	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81882	1.6
56.04976	23.7
57.06768	1.3
57.07011	21.0
58.06527	12.6
60.04441	4.6
63.20793	1.0
64.35357	1.1
71.08537	6.0
74.05983	19.1
79.80204	1.0
82.92612	1.0
85.10098	2.0
85.33949	0.9
85.58354	1.0
86.05962	1.2
88.07553	89.6
100.17564	1.1
102.89039	1.1
106.81019	1.0
118.08607	15.6
122.08069	8.3
124.06764	1.4
188.49989	1.0
242.24731	77.1
272.25754	2.0
290.26825	100.0
311.05215	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78775	0.7
55.01802	0.8
56.96489	1.0
58.06525	3.3
58.41891	0.7
58.99796	2.0
60.05574	4.0
60.08077	0.9
70.06133	1.3
70.06505	22.1
71.01245	0.7
71.04895	1.9
71.49281	0.7
72.08066	10.1
74.02332	0.9
76.56335	0.7
77.00813	4.4
77.35682	0.8
81.05170	0.7
84.04433	3.1
84.08059	1.9
85.01330	3.6
85.02800	1.1
86.05975	1.7
88.03890	0.8
88.07507	0.8
90.72381	0.8
92.10873	1.7
95.01868	1.1
95.06006	1.2
98.05978	0.8
103.02378	68.9
112.08652	1.2
113.00826	3.5
114.05492	0.8
114.09165	0.9
115.08589	1.3
115.12688	0.9
116.03397	0.9
116.07054	6.3
118.08598	7.5
121.03432	100.0
123.03963	0.7
127.03869	1.4
129.00256	1.0
129.03932	6.3
130.09688	0.9
131.01863	53.3
133.03482	1.2
133.24167	0.9
134.04427	1.0
140.07050	0.9
142.05026	0.9
144.05080	0.9
144.89101	0.7
147.01375	32.1
147.05000	17.9
149.02931	40.7
155.01862	1.0
157.03427	36.6
157.04716	1.5
158.09271	1.2
159.04906	1.2
165.02417	7.2
170.02916	1.1
173.02924	37.0
174.14879	4.3
175.00935	1.7
175.04477	27.9
175.11874	6.6
179.68591	1.0
183.01331	4.2
185.02977	7.9
191.03992	5.9
193.01898	6.7
199.00880	1.7
201.02457	11.5
203.03996	5.6
211.00969	1.0
219.03464	10.1
227.00435	1.8
229.01901	22.7
232.08174	1.2
245.01364	1.8
247.02881	4.2
273.00839	10.7
291.01889	11.7
291.06912	1.5
291.10016	1.1
291.12958	10.7
291.15848	1.5
309.02777	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0974
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
54.82005	1.7
55.05437	4.0
56.96495	4.1
67.05415	5.3
69.06984	4.5
70.06490	9.9
71.04897	19.4
78.91446	1.9
79.05402	9.8
81.06956	14.1
85.02861	2.7
85.06445	8.8
87.49071	2.1
91.05369	9.2
93.06962	12.9
95.08543	9.2
95.25228	2.2
97.06480	4.2
97.23980	2.4
98.05973	4.3
98.97511	2.9
100.60120	2.1
105.06950	9.0
107.08530	9.5
107.14249	2.0
109.06490	2.4
115.05389	9.0
115.51083	2.1
116.98549	2.2
117.06941	3.9
118.06513	21.7
119.08553	8.4
130.06493	99.5
131.08488	2.8
132.08063	49.6
133.10168	2.7
142.06497	15.6
144.08075	9.9
145.10065	3.0
146.05963	24.7
156.08067	4.9
157.07550	5.1
158.08328	3.6
159.09131	100.0
159.11696	2.8
160.07506	11.4
160.09558	2.7
170.05971	36.1
183.09122	3.0
184.07500	12.8
185.07066	44.7
188.06995	24.1
191.14229	2.7
200.06982	4.3
201.10159	8.9
218.47499	2.4
227.08130	28.2
237.14694	3.1
245.09134	33.6
255.15804	2.9
273.08478	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	291.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	0.5
56.04940	0.4
56.96508	0.5
60.05561	2.8
64.83527	0.3
67.05427	0.9
68.04948	1.5
69.04470	5.1
70.06502	1.9
71.04910	0.8
72.05570	0.4
75.83474	0.4
79.05431	0.5
81.06977	0.6
84.04439	1.5
84.08043	0.8
85.02833	0.6
85.07585	0.6
86.09637	0.8
89.41811	0.4
91.05402	5.2
93.06984	0.7
94.99313	0.4
98.97514	0.8
109.06425	0.5
110.07117	12.5
116.98547	0.8
118.06461	2.3
119.04895	22.4
119.63159	0.4
126.08969	7.4
127.03879	0.5
127.09760	39.6
131.04881	0.5
134.99681	0.7
146.06013	0.8
147.04384	100.0
151.03896	0.6
153.07695	0.8
160.07500	0.4
161.01178	0.4
163.08614	0.5
166.64973	0.4
195.09142	0.6
213.10191	23.8
214.08450	0.8
255.12349	23.7
273.13397	45.8
273.69623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45218	0.6
54.81641	1.0
55.01802	0.9
55.05443	1.8
56.96499	5.0
57.03374	0.8
60.10830	0.8
61.01078	17.9
67.05407	1.5
69.03336	1.7
69.06979	2.0
70.06511	5.4
71.00001	0.7
71.04913	3.4
73.02837	1.0
74.39908	0.7
79.05405	5.0
81.03333	1.5
81.06969	4.0
83.04881	1.3
84.04399	1.7
84.08063	100.0
85.02821	1.8
86.09631	2.0
87.04396	1.0
91.05406	4.5
93.06974	3.3
95.04918	1.5
95.08530	1.0
97.02810	1.7
97.06470	1.0
98.97511	6.0
99.04314	0.9
100.60344	0.8
105.06976	15.4
107.08529	1.1
114.37215	0.8
116.98569	6.6
118.06467	1.0
119.08566	1.1
123.11596	0.8
128.98599	0.9
131.08556	1.7
132.08392	57.1
134.99615	4.2
135.11716	1.1
146.99669	1.8
147.04381	1.7
149.46712	0.8
171.04817	1.9
177.00719	1.8
179.07022	0.8
197.04811	1.6
219.01674	1.0
243.11255	1.2
273.12231	3.6
291.13297	4.4
291.17282	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.00268	3.4
55.01807	8.5
55.05457	35.4
56.96507	3.5
57.03373	76.7
60.53024	2.9
64.33049	3.3
65.03836	3.6
67.05428	79.9
69.06990	14.6
70.14725	3.4
79.05409	50.3
81.06976	45.7
83.08537	7.5
85.06458	15.6
91.05412	100.0
93.06982	38.4
95.04890	14.1
95.08537	27.6
97.06435	5.9
105.06972	44.3
107.04893	8.2
107.08538	24.7
109.06458	37.2
109.10122	7.5
115.05386	5.3
117.06960	49.9
119.08527	30.0
121.06425	4.1
121.10113	5.6
123.07987	5.7
128.06200	5.0
129.06963	22.5
131.08534	25.6
133.06429	5.4
133.10117	6.2
135.08038	20.1
135.11691	7.8
141.07079	3.5
143.08522	17.9
145.10097	23.7
147.08047	32.7
157.10075	8.4
159.11644	6.7
161.09662	5.6
163.11116	6.6
201.12752	5.5
217.15871	14.4
255.17320	4.3
273.18420	28.0
291.19403	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	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03881	4.7
53.23618	2.8
55.01815	32.2
55.05457	62.6
57.03375	55.8
63.28699	3.0
64.67515	2.9
67.05431	68.5
69.03348	5.2
69.06975	23.0
71.04929	3.4
74.57239	2.9
79.05408	100.0
81.06974	65.6
83.04897	4.0
83.08533	16.9
85.06482	6.8
91.05415	97.3
93.06968	49.6
95.04884	23.5
95.08542	28.0
97.10104	15.4
105.06982	69.8
107.04897	30.4
107.08546	41.7
109.06475	57.0
109.10104	7.3
114.71167	3.1
115.05407	13.0
116.06210	6.4
117.06960	53.9
119.04874	3.6
119.08549	52.6
121.06473	17.4
121.10091	13.0
123.08079	4.4
123.11614	4.7
125.09570	5.8
128.06248	5.2
129.06938	25.3
130.07698	4.0
131.08496	40.7
133.06416	5.4
133.10117	13.5
135.08014	65.8
143.08571	19.7
145.10066	28.5
147.08028	25.6
149.09572	8.0
157.10106	13.9
159.11676	5.8
161.09601	16.4
163.11192	7.4
171.11618	5.9
175.11188	4.4
189.51822	4.8
195.43634	3.8
197.03337	4.0
217.15852	20.7
249.14766	4.5
268.50693	3.5
273.18445	53.7
291.19461	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.42157	4.0
53.03874	4.0
55.01823	34.8
55.05451	46.2
57.03364	28.7
57.06980	4.8
65.03831	4.9
67.05191	3.1
67.05415	50.4
69.03323	7.0
69.06965	19.3
75.38821	3.8
79.05408	100.0
81.03301	5.1
81.06973	56.6
83.04893	8.1
83.08514	17.3
85.06432	5.6
87.84603	4.7
88.43659	4.1
89.93658	4.9
91.05404	71.5
93.06969	46.1
95.04874	36.0
95.08511	23.3
97.10114	5.8
99.08043	5.0
103.05401	4.1
105.06992	39.8
105.74081	4.1
107.04893	37.5
107.08543	42.0
109.06464	45.1
109.10080	9.7
115.05367	7.0
117.06953	40.9
119.04895	5.2
119.08533	42.4
121.06454	39.2
121.10116	9.8
129.06990	9.6
131.08560	24.0
133.06424	7.8
133.10083	11.0
134.99611	7.1
135.08012	70.4
138.11203	4.4
143.08531	19.2
145.10091	10.1
147.08015	10.4
149.09602	9.6
159.07985	6.0
161.09590	15.4
199.14929	4.5
217.15787	10.3
273.18439	30.2
291.19553	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03880	2.2
54.81876	3.3
55.01791	3.4
55.05453	25.9
56.96491	5.2
57.03376	29.7
57.07009	2.5
60.04696	2.5
61.98770	2.8
65.03850	11.6
67.05428	100.0
69.03360	3.4
69.06964	5.9
75.82713	2.7
76.36842	2.7
79.05415	36.5
81.07001	27.1
83.04906	4.8
83.08517	3.3
84.40038	3.0
85.06464	5.9
91.05402	54.1
93.06963	32.8
95.04897	69.6
95.08515	17.9
105.06986	35.3
107.04904	10.8
107.08499	14.9
109.06459	15.4
111.75706	3.0
117.06930	24.1
119.08514	7.0
119.58321	3.2
121.06401	7.0
121.10149	3.0
123.65549	2.8
128.06165	2.7
129.06926	6.9
131.08556	21.4
133.06465	5.0
133.10088	6.3
135.08072	4.5
143.08511	11.9
145.10100	14.1
147.08023	11.4
147.11684	3.9
149.09607	3.2
157.10117	6.4
185.69421	3.3
191.43231	2.7
217.15836	5.7
273.18454	13.6
291.19266	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	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03892	6.5
55.01811	35.2
55.05453	59.6
56.96511	19.3
57.07012	22.0
62.26373	4.9
64.34056	4.8
67.05425	44.4
69.03341	9.0
69.06989	43.9
71.04887	6.6
79.05414	100.0
81.06975	78.2
81.28716	5.8
83.08528	25.6
85.06445	9.5
91.05415	68.2
92.10297	6.3
93.06969	60.2
95.04903	46.5
95.08524	42.8
97.10126	10.1
105.06982	49.6
107.04887	33.3
107.08521	34.3
109.06493	11.4
109.10073	6.7
117.06980	43.3
119.08534	58.8
121.06462	45.3
121.10078	9.8
123.08014	7.6
123.99809	4.6
128.06143	5.3
129.06966	5.6
131.08525	31.0
133.06494	26.3
133.10106	13.0
135.08049	20.9
135.11659	5.7
143.08524	6.3
145.10123	27.3
147.08054	36.8
149.09593	8.3
157.10132	9.7
161.09659	7.3
163.84581	5.0
171.11583	7.4
192.62462	6.7
238.79601	6.0
245.10577	6.7
249.14742	7.6
271.71768	5.9
273.18344	49.8
290.29678	6.0
291.19513	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	17-Epiestriol
Peak:m/z	Relative Intensity
55.01811	32.6
55.05440	31.0
57.03363	40.4
67.05428	42.1
69.06993	24.9
70.94769	5.0
73.02832	5.0
75.24625	4.9
79.05409	70.1
81.06969	57.3
85.06473	5.8
87.31390	5.7
88.94082	6.3
91.05395	44.6
92.50365	5.6
93.06976	34.8
93.49651	5.6
95.04932	8.1
95.08523	27.3
97.10112	6.3
97.68353	5.8
105.06973	29.6
107.04890	11.3
107.08519	34.9
109.06459	84.7
109.10125	6.7
115.05426	6.5
117.06957	5.9
121.10062	6.1
135.08014	100.0
145.10051	8.6
149.09680	6.4
161.09554	8.5
201.08514	6.3
217.15781	11.9
227.62631	5.8
239.42395	7.4
243.47690	5.7
273.18594	8.5
291.19516	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57674	1.2
54.03698	1.3
55.01805	11.2
55.05450	22.9
56.04959	2.0
56.96500	2.6
57.03364	2.4
57.07013	10.2
58.99516	21.1
59.11793	1.5
65.03858	2.4
65.61422	1.5
67.05434	23.7
67.28947	1.6
69.03341	2.0
69.06976	11.2
71.04894	4.0
71.08546	76.5
72.04691	1.6
72.67496	1.4
73.02818	8.8
76.02142	37.8
78.04613	1.7
79.05410	27.2
81.03330	2.0
81.06966	10.7
83.01274	3.4
83.04902	10.4
85.01040	3.0
85.06465	3.4
86.00581	20.9
86.98975	18.6
88.79432	1.6
91.05386	12.2
93.03378	2.3
93.06977	17.4
95.04906	3.6
95.08544	7.9
97.02821	10.4
97.10126	1.9
98.97510	3.1
99.00697	2.3
99.04380	30.4
99.08025	100.0
101.02325	11.2
105.00034	22.1
105.06979	7.6
107.04900	10.6
107.08528	42.4
109.06454	3.0
109.10114	7.4
111.04391	11.5
111.08025	2.4
114.00066	7.3
116.98549	4.1
117.06946	13.9
121.06448	2.0
122.02682	71.6
122.03590	2.5
125.09592	7.8
132.01109	28.7
133.10071	2.1
135.08018	28.7
153.09082	22.7
157.06790	8.1
171.10129	27.9
175.07790	2.6
203.07378	37.3
228.10443	7.0
274.10986	26.8
292.11884	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	292.1291
Annotation	H-TRP-SER-OH
Peak:m/z	Relative Intensity
53.67864	0.6
53.94671	0.6
55.01810	0.8
56.04971	1.3
56.96497	1.7
57.03358	1.1
60.04460	47.6
67.05432	0.9
68.73186	0.7
69.44423	0.6
70.02879	1.5
70.06522	0.9
72.08047	1.2
74.57110	0.6
78.03724	0.6
81.12735	0.6
83.20775	0.6
84.04431	7.7
85.02812	1.6
85.03948	7.9
87.05556	0.8
91.05405	0.9
98.97538	1.3
103.05381	0.7
109.02767	0.8
115.04993	10.4
116.98567	2.6
117.06996	1.1
118.03205	1.0
118.06487	18.3
119.01827	0.7
121.02810	1.5
130.04950	2.6
130.06508	12.3
131.14919	0.7
132.08058	16.8
134.99641	3.4
142.06488	3.3
143.07295	1.3
144.08070	21.3
146.05994	80.2
149.07449	0.7
156.07979	0.8
158.08357	1.7
159.09151	15.0
160.07561	1.6
166.72365	0.8
169.07620	0.9
170.05991	8.6
170.31683	0.8
183.09102	1.6
187.08633	1.6
188.07034	100.0
189.07367	1.0
205.09689	23.0
233.50764	0.7
245.09195	1.3
246.12341	6.2
274.11761	1.1
292.12888	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	292.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06526	3.0
59.07309	2.8
60.05580	9.4
70.06511	20.3
72.08067	1.3
76.64970	0.2
112.08669	1.2
115.08691	0.2
116.07044	8.4
118.08604	100.0
119.08958	0.5
130.09734	3.4
136.06171	0.2
157.10826	0.4
158.09277	1.9
175.11862	22.6
176.11963	0.3
198.23224	0.2
292.19754	1.3
297.29959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05560	1.5
60.44684	0.3
70.06139	0.5
70.06508	11.7
72.05551	0.3
83.06011	0.5
84.08071	0.5
85.77638	0.3
88.07536	2.9
91.05415	6.1
92.11283	0.3
98.97530	0.3
108.96510	0.4
112.08683	6.0
113.07082	2.7
119.04900	22.6
129.11311	4.3
130.09718	1.9
147.04388	100.0
147.12357	2.0
148.04729	1.9
155.45210	0.3
168.54100	0.4
185.59145	0.3
204.10193	1.6
216.10158	1.8
227.51054	0.3
234.11296	0.8
245.56291	0.4
259.10760	0.5
271.32819	0.4
275.14957	5.0
276.13235	0.4
293.16031	19.6
294.16431	0.6
312.72903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03877	6.6
55.01797	4.8
55.05453	33.5
56.51605	2.3
56.96502	3.3
57.03370	38.7
65.03881	3.2
67.05424	45.5
69.03349	3.7
69.06975	23.7
79.04684	2.8
79.05412	90.2
80.99654	2.8
81.06966	60.3
83.08536	6.5
85.06491	5.7
88.07537	4.1
91.04890	4.9
91.05410	76.3
92.10884	6.1
93.06967	100.0
95.04906	24.6
95.08519	33.7
97.06436	5.0
97.10104	3.9
97.75842	2.8
99.44989	2.9
105.06986	72.2
107.04893	4.4
107.08528	57.5
109.06451	15.4
109.10099	6.1
116.98558	3.4
117.06960	20.7
119.08537	53.5
121.06522	4.9
121.10072	22.8
123.07987	6.6
129.06946	13.3
131.08531	21.3
133.10080	32.5
134.99562	3.1
135.08054	3.5
135.11595	4.2
143.08546	11.6
144.90938	2.7
145.10059	13.0
146.25996	3.5
147.11673	18.9
149.09561	3.8
157.10150	5.3
159.11633	18.3
161.13225	14.3
185.13252	20.0
203.14264	15.8
219.17351	7.5
221.15352	13.0
239.17950	3.6
244.25310	12.1
257.18945	10.9
275.20023	59.0
292.27563	6.1
293.20981	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.18647	3.2
53.00223	3.3
53.03876	17.2
55.01804	16.6
55.05449	38.1
56.96508	3.8
57.03380	31.3
57.07002	17.2
67.05429	68.8
69.06985	54.3
71.04883	3.0
79.05407	100.0
81.03339	43.5
81.06976	66.7
83.04889	7.3
83.08527	7.3
85.06447	14.8
91.04881	5.9
91.05399	85.0
92.10292	6.2
93.06966	97.7
95.01260	3.6
95.04881	40.0
95.08537	50.2
97.06458	5.7
97.10112	4.5
97.74861	3.7
103.05402	3.6
105.06978	65.5
107.04894	19.2
107.08540	41.0
109.06452	13.4
109.10105	6.7
116.98595	4.1
117.06985	33.5
119.08533	50.4
121.06476	8.2
121.10094	21.4
123.04411	4.5
123.07993	10.9
129.06944	15.3
131.08562	24.5
133.10110	24.3
135.07964	4.0
135.11696	4.3
137.09610	15.5
143.08507	7.7
145.06445	3.8
145.10130	21.3
147.11658	15.1
149.09584	6.5
149.13376	3.1
157.10146	3.5
159.11664	20.3
161.13196	14.3
163.11119	8.2
168.09122	3.4
170.76375	3.4
173.13246	5.4
179.14304	5.2
185.13234	19.9
191.14421	4.9
203.14229	12.3
219.17361	5.2
221.15346	13.6
247.08447	3.8
257.18906	7.7
275.20004	60.6
293.20993	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01807	3.6
55.05454	30.4
57.03365	10.4
58.66856	2.0
60.96199	2.0
67.05437	24.7
69.07009	17.6
69.07321	2.1
71.04890	3.2
76.56975	3.2
79.05413	71.1
81.06976	31.0
83.08544	16.6
91.05405	48.8
92.65104	2.1
93.06973	45.5
95.04902	8.6
95.08540	25.6
97.10098	5.5
105.06977	56.8
107.08543	100.0
107.09281	3.3
109.06461	11.5
109.10098	4.4
117.06991	9.4
119.08516	27.3
121.10098	9.6
123.08015	2.3
124.66562	2.3
125.09553	3.7
129.06970	4.9
131.08505	15.5
133.10088	19.0
135.08070	2.6
135.11615	3.7
143.08533	5.2
145.02786	3.0
145.10129	14.2
147.11679	19.9
149.09537	2.7
157.10100	4.7
159.11679	9.4
163.11079	2.7
165.18633	2.4
176.79321	2.5
185.13231	11.7
197.13036	2.4
201.16293	2.2
203.14290	4.6
210.34006	2.4
219.17377	3.0
221.15237	5.6
239.17969	2.6
257.19037	5.2
275.20032	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.70284	2.3
55.01815	2.7
55.05453	21.6
57.03378	55.2
57.07014	12.6
57.24101	2.3
59.96400	2.2
62.65625	2.4
63.83445	2.3
67.05425	48.4
69.03361	3.7
69.06986	15.3
71.08571	3.2
79.05416	49.0
81.06976	48.3
83.08546	3.8
84.74652	2.4
85.06471	12.7
86.09645	3.7
91.05406	60.6
92.10872	8.3
92.64597	2.5
93.06967	42.2
93.36620	2.8
95.04895	6.8
95.08533	34.7
97.06445	2.8
98.70486	3.5
99.04378	10.3
104.10683	28.8
105.06973	51.3
107.04904	2.9
107.08524	23.7
109.06466	16.9
109.10094	6.7
114.21941	2.9
117.06971	14.4
119.08534	29.4
121.10095	11.7
124.48666	3.0
129.06952	2.9
130.54073	6.2
131.08527	26.6
133.10112	19.7
135.08127	3.2
135.11664	6.2
143.08543	3.9
145.10091	6.7
147.11676	3.3
149.54820	3.7
152.45622	2.4
158.55380	15.6
159.11688	11.7
161.05673	3.0
163.28026	2.8
164.04047	3.0
171.11780	3.0
174.98509	3.3
219.17403	100.0
242.06421	3.8
275.19907	26.1
293.20972	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	293.2471
Annotation	9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester
Peak:m/z	Relative Intensity
53.09760	0.7
53.65962	0.8
55.01831	1.1
55.05457	10.0
57.07000	3.7
58.06015	0.8
65.03854	2.3
67.05426	100.0
69.06989	7.5
79.05409	15.4
81.06973	87.8
83.04921	1.1
83.08521	4.3
85.06433	0.9
91.05400	5.7
91.79234	1.0
93.06975	14.8
95.04893	1.3
95.08533	64.3
98.06902	0.8
99.07159	0.9
105.06961	5.6
107.08540	8.7
109.06431	1.3
109.10099	22.6
117.06976	3.4
118.97956	1.9
119.08556	2.1
121.10104	7.5
123.11636	8.8
131.08530	5.5
132.99530	3.4
133.10126	1.6
135.11644	4.3
137.13220	2.0
145.10068	3.8
147.11684	1.3
149.13213	1.0
151.11230	0.9
159.11629	2.0
163.11209	1.1
172.38628	0.8
173.13194	1.3
177.12489	0.9
187.14830	1.5
195.14021	1.0
243.21010	1.1
251.34946	0.9
261.22015	1.3
293.24612	7.3
307.36142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1543
Annotation	CHEBI:43892
Peak:m/z	Relative Intensity
55.01822	2.4
57.03360	4.1
59.03661	3.4
61.02836	1.8
62.94504	1.5
68.04948	3.7
69.03349	15.1
69.06981	9.8
72.04431	4.5
73.02832	4.4
81.03325	9.9
84.04423	2.9
85.02814	21.8
86.09143	3.3
86.09626	71.1
87.03133	32.6
87.88486	1.8
88.03911	61.2
96.04413	7.2
97.02810	23.4
98.09618	22.4
99.04364	10.8
100.03902	2.8
101.02277	1.9
112.03909	20.0
116.10649	2.2
126.05510	2.4
127.03873	10.6
128.10646	15.8
132.10179	15.9
139.51878	2.1
140.10660	2.1
143.05725	12.2
144.10130	4.4
156.06505	4.8
161.06778	10.6
164.10675	18.4
168.10178	3.7
194.11763	3.9
201.01680	2.0
210.11201	12.3
212.12755	28.0
230.13834	80.0
248.14804	4.6
258.13324	52.1
276.14331	100.0
294.15408	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2062
Annotation	Nordihydrocapsaicin
Peak:m/z	Relative Intensity
51.47089	0.5
55.05446	1.0
57.03354	0.6
57.07011	0.8
59.04934	0.5
59.62806	0.5
60.85263	0.5
66.93953	0.6
67.05420	3.6
69.07000	1.4
71.04916	0.6
79.05418	2.7
81.06986	5.7
91.05449	2.0
93.06983	1.2
94.04112	3.1
95.08529	2.4
105.06960	0.7
107.04874	0.7
109.10100	0.7
122.03608	9.3
123.11610	0.7
137.05956	100.0
138.06345	1.1
158.15483	0.6
177.00166	0.7
212.04390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2061
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
57.07002	1.4
57.23604	0.2
59.54192	0.3
71.08532	0.8
79.05421	0.4
81.06966	0.5
90.47076	0.3
94.04112	3.1
117.24039	0.3
122.03595	10.5
129.69348	0.3
137.05949	100.0
138.06281	1.3
141.12709	0.4
158.15367	1.3
217.89836	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	70.6
57.07013	30.5
58.02899	100.0
67.05424	30.4
69.06987	81.4
81.06965	29.2
83.08546	32.0
137.05951	30.2
141.71352	15.0
230.73668	14.3
294.28018	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	294.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05191	2.7
55.05452	72.9
57.07003	21.2
58.02620	4.7
58.02896	100.0
62.34968	2.0
67.05424	29.0
69.06985	66.0
70.52413	2.4
71.08527	10.9
79.05389	3.4
81.06978	37.9
81.13338	2.3
83.08530	27.2
86.05939	2.7
88.02146	4.7
91.05408	9.8
93.06964	12.9
95.08524	28.9
97.06446	4.4
97.10093	16.4
100.07543	13.9
105.06951	2.9
107.08493	3.9
107.17006	2.6
109.10081	17.2
114.09121	5.9
119.08548	4.0
123.11660	4.7
128.10718	5.5
133.10150	2.5
136.57600	2.2
137.05936	4.0
142.12260	4.4
170.15388	2.9
200.47025	2.4
225.25934	2.2
294.27863	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01190	0.1
50.16091	0.2
52.26527	0.2
52.70068	0.2
53.03904	0.2
55.01810	0.2
56.96495	0.2
57.03363	0.9
57.04484	1.1
57.92929	0.2
61.02846	1.2
63.40496	0.2
69.03349	2.4
69.06989	1.3
70.06472	0.2
71.04910	0.2
72.15907	0.2
73.02841	0.7
81.03329	0.8
85.02824	8.4
87.08012	0.9
94.03974	3.8
96.05511	0.3
97.02823	2.0
99.04388	0.2
103.03937	0.2
108.04315	0.3
109.02797	0.4
109.97020	0.2
112.05038	0.9
119.03507	0.3
120.08003	0.4
123.06616	3.0
127.03854	1.0
133.05032	1.1
133.08543	0.2
135.05334	0.4
145.04922	1.1
148.04761	0.7
148.06129	0.4
150.07722	100.0
151.08064	1.0
152.58443	0.2
175.03772	0.2
265.69885	0.2
292.17212	0.2
295.11456	3.0
295.16464	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1287
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
53.03891	0.4
56.04982	1.3
57.03362	0.6
61.02848	0.6
69.03339	1.8
69.06985	0.4
73.02856	0.5
79.05389	0.9
84.04425	44.2
85.02823	6.9
85.81509	0.4
87.08007	0.5
91.05400	2.2
93.06960	0.6
94.03983	0.5
94.36558	0.4
97.02823	0.8
103.05396	9.3
107.04885	2.9
116.62924	0.4
119.04890	0.7
120.08054	100.0
120.35474	0.4
121.08398	1.7
130.04984	3.6
130.06470	0.4
131.04895	5.6
136.07549	2.4
142.91225	0.5
145.04884	0.6
150.07733	14.7
166.08585	16.4
186.09109	7.9
191.03392	1.7
211.95073	0.4
232.09602	3.9
278.10217	2.3
286.10220	0.4
295.12991	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	295.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66480	0.8
53.03883	4.2
55.01813	1.5
55.05438	4.8
56.04957	1.5
56.96495	2.1
57.03379	8.0
57.04474	1.2
60.60084	0.8
60.95761	0.9
61.02857	11.6
69.02016	0.8
69.03349	18.0
69.06977	15.2
70.06493	4.6
71.04890	1.9
72.08040	1.7
73.02823	7.4
78.58439	0.9
80.04923	2.2
81.03323	7.4
84.04425	5.9
84.08031	1.7
85.02825	61.7
86.09631	1.6
87.08025	1.7
88.83246	0.8
91.03880	1.5
91.05395	3.7
94.03960	2.2
97.02823	18.3
98.97498	1.9
99.04372	1.3
99.08042	1.5
102.96783	1.2
103.05430	1.0
108.04438	1.2
109.02820	4.9
116.98549	2.0
117.09054	2.0
119.04865	4.5
120.04439	1.0
120.08047	10.0
120.97798	1.3
121.02812	1.1
121.77105	1.0
123.06627	2.3
123.25278	1.2
127.03904	10.5
130.05061	1.1
130.06506	1.6
133.05098	1.6
145.04936	7.4
147.04375	4.1
148.03868	4.2
150.07722	100.0
151.03871	3.7
162.47595	1.1
165.35422	1.0
166.08575	1.4
175.03848	5.4
207.06488	4.8
241.02072	1.8
276.80609	1.0
295.11554	2.0
295.16525	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	295.1652
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
55.05451	5.4
56.04967	0.9
56.96497	5.1
57.03363	1.3
58.94764	0.7
65.03877	0.6
67.05428	0.9
69.03345	3.9
69.06989	1.2
69.79522	0.7
70.06505	5.9
71.04920	0.8
71.06866	0.6
72.08060	2.8
73.02846	0.9
80.96241	0.7
81.03348	0.9
81.06989	1.0
83.04893	1.0
84.04421	3.4
84.08075	3.6
85.02816	3.9
86.09628	8.2
87.66275	0.8
91.05401	45.6
92.10227	1.2
93.06991	0.9
93.52486	0.6
97.02850	2.8
97.10100	2.7
98.97518	4.2
107.04884	1.0
107.08589	0.9
109.06469	1.3
116.82009	0.7
116.98578	4.9
118.06496	1.2
118.94896	0.7
119.04887	26.9
120.08052	6.1
121.06464	1.8
127.03899	0.9
128.98553	1.7
130.08594	0.9
130.15881	7.4
132.10181	1.2
134.99638	3.4
136.07552	100.0
146.99615	0.9
150.07709	0.9
161.01289	0.9
161.10677	8.7
167.06953	1.0
173.02849	0.7
177.00613	0.9
203.08913	0.9
206.07533	0.9
219.01685	1.0
237.02797	1.3
249.09612	4.3
278.13632	1.0
295.10059	3.2
295.16415	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	295.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01530	0.6
55.01816	1.5
55.05467	1.0
56.04971	0.9
56.23349	0.6
56.96498	3.7
57.03366	4.1
58.37522	0.6
58.98871	0.6
59.97015	0.6
65.03849	1.2
67.05424	1.3
69.03341	3.6
70.06508	2.9
72.08075	10.1
73.02840	0.9
79.05396	1.0
81.06969	1.5
84.04431	3.1
84.08066	2.8
85.02828	4.3
86.09633	1.3
89.10716	1.7
91.05408	43.2
95.04896	7.0
97.02823	1.3
98.97518	8.3
103.05395	3.3
105.03355	0.7
105.07008	1.0
107.08557	1.0
109.10149	0.7
110.07092	1.0
115.08645	1.2
116.98584	8.1
119.04902	71.5
120.05318	0.7
120.08060	12.3
121.10095	0.9
126.69993	0.7
130.06522	1.5
131.04938	0.8
132.02077	1.5
133.02849	1.0
134.99643	6.1
135.08022	1.3
136.05128	0.7
136.07536	1.6
137.05951	0.9
145.02794	1.3
146.05939	1.0
147.04390	60.4
147.11635	0.7
149.02274	1.5
151.07640	0.7
157.03960	6.1
158.99652	3.7
163.03912	0.8
164.04659	1.7
164.09296	64.3
166.08583	1.3
173.13231	1.1
175.03874	94.0
175.45576	0.8
177.00656	7.0
179.06999	7.0
192.04057	1.0
204.08022	0.9
207.06503	100.0
208.07208	0.7
219.01718	3.5
249.10059	0.8
267.11185	1.6
278.13806	2.7
295.12991	1.2
295.16434	18.3
296.13406	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	295.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63298	1.4
57.07012	6.6
58.99535	2.8
60.61127	1.6
67.05418	1.5
69.06973	3.6
71.08537	3.0
75.82401	1.5
79.05405	22.2
87.02611	2.8
90.83355	2.0
91.05415	10.1
92.10271	3.1
94.94942	1.7
95.04874	4.0
103.05412	14.3
105.06979	100.0
106.07761	9.6
111.93638	1.8
113.09541	1.7
133.06450	39.5
134.07225	27.4
135.08009	44.7
137.04178	3.5
151.07536	15.4
165.03668	43.7
167.05283	3.1
179.05206	8.3
217.24789	1.6
250.50159	2.0
277.16006	16.0
295.17206	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	295.1902
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.03860	0.9
55.01807	9.1
55.05449	4.9
56.96496	0.8
57.07001	1.2
57.88453	0.5
57.89888	0.4
61.59279	0.4
62.03028	0.5
67.05423	5.3
68.53802	0.5
69.06980	4.0
79.05412	5.9
81.06969	37.2
83.04890	2.2
83.08541	1.2
90.65211	0.5
91.05389	2.5
93.06961	6.5
95.08537	6.2
97.06417	0.6
105.06962	3.1
107.08549	4.4
109.06461	15.9
109.10092	2.2
111.04383	11.1
111.07998	0.5
117.06940	0.9
119.08500	3.8
121.10084	3.0
123.07996	2.9
125.05924	2.6
125.57809	0.6
132.48926	0.5
133.10092	3.5
135.08003	2.2
135.11613	1.3
137.05943	100.0
138.06247	0.8
140.52637	0.6
147.08035	1.0
147.11652	3.6
149.09589	0.7
151.07510	2.5
151.11230	0.6
161.09575	3.2
161.13190	1.0
162.09877	0.7
163.11140	1.0
165.09096	0.9
172.95253	0.6
175.11171	3.1
179.10649	1.0
193.12199	0.9
203.17896	4.4
213.16360	0.8
221.18930	0.8
231.17410	3.5
249.18358	3.7
277.17923	14.8
278.18188	0.6
295.18951	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	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01796	26.5
55.05270	5.0
55.05450	87.7
57.07005	10.5
67.05434	100.0
69.03328	6.5
69.06999	45.0
70.67583	5.7
71.08542	48.5
78.11968	6.2
79.05397	79.1
81.03338	13.0
81.06974	90.9
82.44722	7.0
83.04890	11.5
83.08517	36.5
85.06444	6.9
85.42606	5.9
91.05410	56.6
93.06996	61.3
95.04905	11.8
95.08526	46.2
97.06448	13.3
97.10104	32.6
99.08036	12.4
103.37621	6.5
105.06965	38.2
107.04848	7.7
107.08542	44.0
109.10110	13.0
111.08020	13.6
115.11093	6.3
119.08546	14.4
121.10098	15.6
125.09569	11.9
133.10139	10.5
135.11673	9.6
147.11720	8.6
151.11115	49.4
155.01924	6.8
161.13176	8.1
163.11147	12.8
175.14798	6.3
179.14273	7.6
189.11183	11.7
194.47501	7.0
208.46777	6.0
259.20468	6.5
277.21509	65.8
277.84906	7.3
295.22827	12.1
296.93314	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	295.2265
Annotation	Colneleate
Peak:m/z	Relative Intensity
53.03870	2.0
55.01797	7.0
55.05220	2.4
55.05453	41.6
56.96466	1.5
57.03369	2.4
57.07014	46.1
65.03844	1.9
67.05429	100.0
69.03325	1.7
69.06999	13.7
71.04893	1.6
76.74580	1.6
79.05408	32.8
81.03330	2.5
81.06976	39.9
83.04890	3.7
83.08549	15.1
85.06461	19.1
91.05408	17.5
93.06976	29.7
95.04901	3.8
95.08527	21.1
97.06454	2.5
97.10107	19.2
105.06984	12.9
105.07559	1.3
107.04932	2.2
107.08533	24.4
109.06475	1.6
109.10114	22.1
111.08051	2.8
113.72198	1.4
117.06953	3.2
119.08517	8.0
121.10076	8.5
123.11667	2.7
125.09561	11.6
131.08531	2.7
133.10069	7.9
135.11636	7.0
137.09602	18.3
145.10133	2.1
147.11685	2.4
149.13156	3.5
157.10155	1.4
159.11714	2.7
164.56407	1.7
173.13188	1.8
177.12723	9.3
189.11246	5.6
193.15852	2.4
200.01796	1.5
259.20544	6.0
272.20355	1.7
277.21585	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.00252	1.7
53.03886	1.2
54.81557	1.1
55.01809	6.3
55.05185	1.7
55.05451	47.4
57.03377	4.6
57.07014	33.0
60.32887	1.0
65.03864	1.7
67.05430	100.0
67.24755	1.1
69.03333	2.4
69.06985	16.1
69.22897	1.1
71.04906	2.2
71.08538	1.3
72.08077	1.2
73.25363	1.1
79.05405	35.0
81.03354	1.9
81.06976	45.3
83.04895	6.8
83.08535	18.9
85.06454	11.7
91.05416	17.9
91.21734	1.1
93.06436	1.7
93.06980	30.0
95.04893	6.3
95.08537	22.2
97.06438	1.5
97.10094	20.8
99.08036	1.5
101.77055	1.1
105.06984	12.8
107.04916	2.0
107.08537	25.7
109.06451	6.1
109.10111	21.0
117.06983	5.1
119.08553	9.9
121.10106	11.9
123.11624	1.5
125.09610	9.4
129.06915	1.5
131.08545	6.0
133.10100	8.5
135.08022	2.2
135.11676	7.3
137.09595	13.8
137.13165	1.6
145.10106	1.8
147.11676	2.9
149.13255	5.1
151.11121	1.9
159.11668	6.1
161.13249	2.4
163.14934	1.3
171.11600	1.2
173.13213	1.6
175.14874	2.4
177.12720	7.4
189.11172	7.0
191.67191	1.2
201.28773	1.0
241.19427	1.8
259.20502	6.8
277.18750	2.4
277.21597	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03871	4.5
55.01812	4.3
55.05445	50.0
57.03363	9.3
57.07000	9.5
58.10627	2.0
61.67750	2.0
65.03876	2.3
67.05431	90.7
69.06990	30.3
71.04916	9.5
71.08550	70.0
79.05407	90.8
81.03340	16.4
81.06977	78.2
83.04912	19.5
83.08543	10.1
84.66599	1.9
85.06452	2.6
91.05407	51.2
93.06968	100.0
95.04897	26.8
95.08536	60.5
97.06474	19.9
97.10143	3.0
99.08017	34.5
105.06972	27.9
107.04895	5.7
107.08549	46.5
109.06470	4.4
109.10116	15.9
111.07950	2.3
117.06986	3.7
119.08510	18.4
121.10100	31.8
129.36382	2.1
131.08560	4.0
133.10101	16.0
135.11682	39.3
137.09612	4.4
141.09065	4.2
145.10126	4.1
149.13216	9.6
151.11166	29.0
159.11699	3.1
161.13246	12.5
163.11147	4.4
177.12692	3.1
179.14273	80.9
259.20703	4.0
277.21503	46.8
319.32172	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	295.2267
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03882	26.8
55.01817	6.2
55.05443	36.7
57.07000	12.2
67.05194	3.9
67.05431	66.9
69.06982	56.5
71.04890	5.2
71.08533	8.9
72.08059	6.0
79.05396	51.5
81.03336	100.0
81.06972	74.2
83.04900	9.5
83.08534	9.2
91.05398	31.5
93.06966	49.6
95.04896	46.0
95.08509	21.1
105.06956	27.2
107.08538	39.5
109.10116	21.1
119.08556	12.2
121.10140	6.2
126.15279	5.6
126.67659	4.8
133.10089	21.7
144.37567	6.0
147.11630	5.5
151.11142	27.9
154.03758	5.3
155.06361	5.2
158.51331	5.4
161.13255	6.4
165.12700	11.4
172.95197	9.5
190.96304	6.6
228.07169	5.3
243.86035	5.8
273.87637	5.4
277.21597	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03891	27.0
54.96526	1.8
55.01808	11.9
55.05455	35.4
57.03364	2.5
57.07009	2.8
64.33143	2.1
67.05429	53.4
69.06647	3.4
69.06988	51.4
71.08553	2.0
79.05412	42.4
81.03340	100.0
81.06979	48.1
83.04890	20.3
83.08532	8.3
85.06462	1.9
91.05415	26.6
92.10213	7.3
93.06973	42.3
95.04902	42.2
95.08556	16.2
97.06464	2.5
97.10101	3.5
97.27495	1.8
105.06979	28.3
106.05504	1.8
107.04913	1.9
107.08534	23.1
109.06478	10.5
109.10107	8.8
111.08023	2.0
117.06963	8.8
119.08522	9.9
121.10097	4.2
123.11663	3.1
125.09618	4.2
131.08493	2.5
133.10089	13.1
135.11691	3.6
137.05991	3.0
138.95453	1.8
143.08562	2.6
147.11702	7.4
149.13278	3.0
151.11156	20.7
161.13268	10.3
165.12711	2.5
171.11789	2.1
173.13246	1.9
197.79187	1.8
204.08185	2.2
231.20992	2.7
241.19438	4.3
242.95467	1.9
259.14780	1.9
277.21548	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87663	0.9
51.78079	1.1
53.00232	1.7
53.03891	1.3
54.34024	1.0
55.01811	2.1
55.05440	7.6
56.96503	13.6
57.03356	1.3
57.06996	1.9
65.03848	2.4
67.05424	16.2
68.05779	1.3
69.06982	12.8
71.04884	2.0
71.08546	15.4
72.19962	1.0
73.65999	1.1
79.05403	13.3
81.03344	2.2
81.06977	14.5
83.04893	2.6
83.08541	2.7
84.91690	1.1
86.09603	7.7
91.05398	9.2
93.06953	14.3
95.04874	1.7
95.08528	14.1
97.06452	1.7
97.10121	1.3
98.93063	1.1
99.08020	7.5
102.99384	1.2
104.10689	6.5
105.03336	5.2
105.06950	6.1
107.00694	1.2
107.04922	1.2
107.08526	4.7
108.34756	1.2
109.10107	5.1
111.99861	9.6
116.01235	2.0
116.98639	1.4
119.08531	4.3
121.00422	100.0
121.10064	4.3
121.50583	2.2
123.08001	1.8
124.99919	1.5
125.09492	1.5
129.06950	1.2
130.00934	21.3
130.51076	1.2
132.51237	4.9
133.06491	2.1
133.10109	4.8
134.01208	4.0
134.99638	1.2
135.07991	1.2
135.11687	1.7
137.05983	8.7
138.06245	2.0
138.52927	16.6
143.01755	31.0
145.10133	1.6
147.04337	1.1
147.11649	1.4
147.53473	1.9
149.01231	2.6
149.02328	8.2
149.03387	1.5
151.11159	9.8
152.02292	6.9
154.52583	1.8
158.01237	2.6
161.13258	1.9
163.00424	5.0
163.11102	5.4
167.01855	2.5
167.99661	5.7
171.11688	1.3
172.00948	24.8
172.95178	1.6
177.00165	48.4
177.50305	1.6
181.01527	2.3
184.07291	6.6
186.00746	5.0
189.00870	1.2
190.96269	1.7
199.01517	7.5
204.98096	2.6
208.02002	2.4
216.97792	2.4
217.02547	28.2
217.52748	4.8
219.06367	1.1
222.99095	1.3
226.03084	4.2
228.53326	2.7
239.02173	1.9
252.04736	1.8
257.03201	2.0
261.05194	11.7
263.55490	2.1
274.63260	1.5
277.21652	9.4
283.63983	1.6
309.17560	1.6
315.09753	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03881	4.0
54.81041	2.2
55.01806	10.8
55.05455	71.9
56.96496	4.9
57.03363	2.8
57.07007	16.4
59.04927	2.2
67.05077	3.7
67.05432	100.0
69.03344	6.0
69.06988	29.8
71.04893	4.0
71.08540	25.8
76.67855	2.5
79.05414	58.4
81.03320	10.4
81.06981	69.5
83.04888	13.0
83.08544	37.0
85.06467	4.3
91.05405	36.6
93.06969	51.8
95.04900	16.0
95.08531	35.3
97.06480	8.8
97.10100	25.8
99.08019	10.4
104.05146	2.1
105.06985	26.0
107.08527	29.2
109.06503	3.3
109.10101	17.4
111.08057	4.0
117.06963	9.4
119.08519	11.3
121.10114	11.9
123.07993	3.9
125.09600	14.6
125.34239	2.9
129.06944	2.9
131.08536	5.7
133.06456	5.9
133.10104	14.9
135.11647	5.7
137.05983	12.7
137.06966	2.3
137.09587	10.7
138.06271	2.6
147.11662	9.1
151.11179	11.1
161.13234	4.2
163.11145	4.4
179.14331	3.6
189.00600	3.6
189.11188	10.3
209.54840	2.5
241.19092	3.2
259.20599	3.0
277.21548	37.5
285.60123	2.4
291.95071	3.4
295.22601	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	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.00245	8.0
53.03890	5.6
54.89604	4.2
55.01818	9.0
55.05455	57.6
57.03364	6.1
57.07011	19.0
58.48950	4.1
67.05431	77.4
69.06980	50.1
71.04894	5.4
71.08544	83.3
79.05413	70.2
80.03159	4.3
81.03342	37.4
81.06976	67.9
83.04900	27.7
83.08524	23.5
83.47858	4.9
91.05405	55.0
93.06974	100.0
95.04906	23.8
95.08538	69.1
97.06454	12.0
99.08015	28.3
105.06986	53.8
107.04876	9.8
107.08553	41.9
109.06454	6.4
109.10091	20.7
117.06987	21.1
119.08549	31.5
120.08044	6.6
121.10060	9.9
123.11574	5.2
129.06978	7.6
131.08472	5.7
133.10083	11.4
135.11678	9.9
137.09607	6.1
143.08557	6.2
145.10104	5.5
147.11697	9.0
149.13269	11.0
150.90218	4.9
151.11151	43.4
153.12787	9.1
157.10081	6.3
161.13234	17.7
163.11179	11.7
178.64351	5.2
179.14259	20.6
218.24167	5.4
241.19299	9.1
242.14206	4.9
259.20581	6.2
277.21515	64.1
279.04874	5.1
289.28967	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
51.05717	3.0
53.03883	5.0
55.01813	7.2
55.05453	70.6
57.03378	5.2
57.07007	5.1
67.05433	100.0
69.03345	5.1
69.06997	36.0
71.04906	4.6
71.08553	77.1
74.78162	3.0
79.05408	59.3
80.25089	2.7
81.03336	20.2
81.06979	71.4
83.04911	17.6
83.08548	42.6
85.06468	5.6
86.74432	3.4
91.05396	31.6
93.06979	65.7
95.04910	17.1
95.08520	36.8
97.06438	7.2
97.10109	27.3
99.08028	25.8
105.06993	30.3
107.08543	38.0
109.06479	5.2
109.10120	21.0
116.98589	3.3
117.06960	5.1
119.08554	22.9
121.00459	12.8
121.10097	14.4
125.09590	22.0
133.10088	14.1
135.08009	5.2
135.11617	14.2
137.05945	31.1
138.06287	18.2
145.10071	4.5
147.11630	11.9
148.85269	3.4
149.02414	4.6
151.11191	41.0
161.13228	13.7
162.24426	3.3
163.09891	3.5
163.11179	15.7
165.12646	5.5
179.14275	5.7
182.49194	3.3
189.11171	13.3
241.19572	3.6
259.20575	5.0
277.21579	46.2
293.49887	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	296.1355
Annotation	N6,N6-Dimethyladenosine
Peak:m/z	Relative Intensity
54.81654	0.1
55.01820	1.2
57.03380	2.1
57.46665	0.1
59.04919	0.2
61.02846	0.3
69.03338	0.8
70.06509	0.3
71.01259	0.8
71.06003	0.1
72.08058	0.2
73.02818	0.7
79.07409	0.1
84.08059	0.1
84.57532	0.1
85.02828	1.3
87.04363	0.2
91.05402	0.8
92.05713	0.2
94.03970	0.2
97.02811	0.5
97.58098	0.1
103.03841	0.1
105.38370	0.1
115.03873	0.2
116.98593	0.5
118.55205	0.1
119.04909	1.0
120.04371	0.2
120.05189	0.3
120.08060	0.2
121.05054	0.7
123.06612	0.5
133.05002	0.1
147.04430	0.9
148.04784	0.2
149.06946	1.0
162.07735	0.7
164.09296	100.0
165.09665	0.3
175.03841	1.4
176.04233	0.6
207.06479	1.0
208.06839	0.6
217.11711	0.1
220.12828	0.1
296.13501	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	296.1604
Annotation	Butralin
Peak:m/z	Relative Intensity
53.03893	0.5
55.77950	0.5
56.96497	4.5
57.03365	2.9
60.04459	0.5
61.02855	2.2
67.05439	0.9
69.03362	5.6
70.06500	2.7
70.06880	0.5
71.01261	0.9
71.04904	3.0
71.57813	0.5
72.08076	1.0
73.02850	1.1
75.04406	0.8
76.66882	0.5
77.75057	0.5
79.05396	0.7
81.03313	0.7
81.06994	0.8
84.08092	2.0
84.95946	0.5
85.02834	1.2
86.09640	2.1
91.05408	1.1
92.10259	0.6
93.06963	0.8
95.08530	1.2
97.02828	0.6
98.97518	3.8
99.04361	1.2
101.48246	0.6
107.04895	0.6
116.98566	3.6
117.03329	1.0
120.08060	3.0
130.06476	0.7
130.09735	2.9
131.04982	0.6
134.99617	3.1
145.02831	5.2
146.07057	0.9
146.99567	1.0
147.07898	6.8
147.09079	1.7
158.35081	0.5
158.99609	1.0
161.09409	4.1
162.10229	95.9
163.10562	0.6
174.10248	3.1
175.11049	1.3
177.00656	1.0
177.05449	4.3
186.10263	2.8
189.00713	0.7
198.43633	0.6
200.11772	0.8
204.11319	2.1
224.08017	1.0
278.14896	2.3
280.04803	0.6
296.15991	100.0
297.16412	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	296.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	2.3
55.01814	1.5
56.96496	5.7
57.03376	27.8
58.53334	1.1
59.51984	1.3
61.02845	6.6
65.17363	1.2
67.37367	1.2
69.03345	13.9
70.06503	7.2
71.04915	10.4
71.08541	7.0
73.02806	3.1
79.05376	1.5
81.03327	6.6
81.06955	3.0
84.04411	1.8
84.08054	3.0
85.02827	35.1
86.09618	1.6
87.04412	1.5
91.03917	1.5
91.05401	10.1
92.05742	1.8
97.02817	9.0
98.97526	5.6
99.08024	26.6
109.02840	2.3
110.07111	2.5
114.62563	1.5
116.98547	2.6
117.09079	100.0
119.04892	5.0
120.05209	2.3
120.07935	1.3
127.03848	2.7
134.99620	2.5
136.07542	14.8
137.07912	10.7
146.99551	1.8
151.03873	3.2
153.05409	1.5
167.07001	5.4
177.00760	1.8
185.08023	2.6
199.85210	1.4
275.07037	1.8
283.21964	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	296.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28541	1.4
51.36863	1.3
53.03893	1.8
55.01799	2.7
55.05446	3.3
56.96487	3.6
57.03134	2.0
57.03377	34.2
60.63137	1.5
61.02838	8.7
69.03356	17.8
69.06983	2.6
70.06499	6.5
71.04910	12.9
71.08548	2.1
72.08075	2.3
73.02843	3.3
73.06449	6.6
81.03320	8.5
81.06967	6.8
83.01241	2.0
84.04417	1.8
85.02348	2.1
85.02833	47.1
86.03152	4.0
86.09599	1.5
87.04395	2.0
88.94846	1.5
97.02805	14.3
98.06095	1.5
98.97508	3.7
99.04413	2.5
99.08028	37.7
102.05437	1.9
107.04931	3.1
109.02818	3.6
116.98560	3.7
117.09083	100.0
127.03870	6.2
127.26427	1.4
134.99634	2.8
138.06390	1.6
145.04883	2.5
146.99632	2.9
150.07742	9.5
151.03871	2.6
151.08099	11.9
154.26538	1.9
167.07018	7.8
169.95493	1.6
183.45412	1.6
237.02802	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	296.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66529	1.2
79.99519	1.4
92.10215	2.5
92.75520	1.3
104.83073	1.4
108.60240	1.4
128.98598	1.6
225.59659	1.5
246.79652	1.4
296.25534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59890	2.4
55.05455	30.8
57.07011	33.2
58.02619	3.7
58.02895	100.0
67.05421	2.9
68.65175	1.9
69.06989	34.6
71.08535	12.6
73.32614	2.4
78.15004	2.3
79.05428	4.1
81.06966	3.7
82.00463	2.2
83.08532	16.7
85.10101	4.8
85.37465	2.2
86.05968	3.7
92.10287	4.7
95.08511	8.5
97.10076	5.9
100.07539	9.5
114.09122	9.3
128.10709	9.8
178.76222	2.5
296.29367	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	5.7
56.96503	8.8
59.84760	0.9
67.05432	2.3
69.03328	1.2
69.06967	1.3
69.17886	0.8
70.99475	1.1
71.04900	1.1
79.05404	3.3
81.03362	1.1
81.06965	4.1
85.02837	0.9
91.05400	2.1
93.06958	4.2
94.06478	1.0
95.04881	3.8
95.08542	2.3
97.01048	2.3
98.97508	10.8
99.04415	1.4
100.57204	0.9
105.06966	3.8
107.04892	7.1
107.08504	2.1
108.04409	1.0
109.06451	1.5
109.10143	2.2
111.07992	1.0
116.98561	8.9
119.08524	1.3
120.04429	1.1
120.08061	1.0
122.05970	4.4
125.00526	6.1
126.01327	1.6
127.03882	0.9
131.00104	1.1
131.08438	1.0
132.04416	1.4
133.05199	20.5
133.10066	1.4
134.99619	10.2
138.03688	1.0
139.02122	1.0
147.11682	1.4
148.02150	1.3
149.01158	1.0
149.02863	1.5
150.05424	1.9
153.00645	1.9
158.99574	1.0
161.04732	1.1
164.01619	1.3
165.02403	34.4
166.03200	3.7
173.01093	0.9
175.02713	0.9
177.00610	5.0
177.05574	1.0
179.00330	3.5
193.01855	1.6
194.02673	100.0
195.03320	1.7
198.17615	1.1
240.03203	9.6
251.04814	1.4
254.17926	1.1
256.07806	1.2
292.98514	1.8
297.05350	18.1
297.13263	0.9
297.16635	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	297.2421
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
50.65849	2.0
53.03887	1.9
55.01812	4.6
55.05446	31.7
57.03380	5.7
62.41275	2.3
66.35578	2.4
67.05426	76.1
67.34103	2.2
69.06986	39.3
71.04896	10.0
73.62424	2.1
79.05403	37.5
81.03337	2.5
81.06978	100.0
81.60873	2.4
83.04890	5.2
83.08542	17.7
85.06474	9.3
91.05428	13.5
93.06977	47.0
95.04877	3.9
95.08533	75.3
97.06448	12.3
97.10077	5.0
102.16107	2.2
105.06995	5.3
107.08544	24.7
109.06461	3.8
109.10113	36.8
117.06956	3.5
119.08582	2.8
121.10078	20.6
123.11662	9.9
125.09607	3.2
131.08543	4.3
133.10037	7.9
133.29085	2.6
135.11652	13.9
137.13297	3.3
144.18362	2.2
147.11693	4.3
149.13248	3.9
153.23358	2.5
161.13199	4.1
208.27112	2.4
261.22064	18.3
279.23087	50.8
297.24182	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	297.2422
Annotation	Coronaric acid
Peak:m/z	Relative Intensity
53.00248	1.2
53.03863	1.4
55.01812	0.9
55.05453	24.0
57.03363	1.4
57.07005	1.2
60.84878	0.8
64.48503	0.7
65.03843	1.4
66.46729	0.8
67.05428	84.4
69.06989	17.4
70.16320	0.7
71.04914	8.6
75.64153	0.7
79.05410	24.5
81.06977	100.0
83.04891	1.2
83.08540	9.3
85.06459	4.3
85.19754	0.8
91.05403	13.2
92.10826	1.1
93.06971	25.7
95.04885	1.5
95.08533	88.4
96.30895	0.8
97.06456	5.9
97.10117	4.4
98.97495	1.0
99.08034	1.8
101.07664	0.8
105.06960	8.7
107.08538	13.3
108.47391	0.7
109.06479	1.0
109.10110	27.8
111.08020	2.0
112.70740	0.8
114.22056	0.8
114.50116	0.9
119.08534	7.6
121.10097	13.3
123.08011	1.1
123.11683	10.5
131.08525	4.5
133.10170	6.2
135.11656	9.0
137.13243	1.8
145.10141	3.4
147.11650	5.6
149.13252	1.1
151.14792	0.9
159.11664	0.9
161.13222	4.5
165.12737	1.6
173.13153	0.9
177.16336	0.8
179.14206	1.0
243.21077	1.4
261.22107	5.1
266.40460	0.8
273.55026	0.8
279.23129	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	297.2422
Annotation	Coronaric acid
Peak:m/z	Relative Intensity
55.05455	29.8
56.30695	2.1
67.05428	92.3
69.06998	17.9
71.04906	5.2
79.05405	30.2
81.06975	100.0
83.08536	13.3
85.06479	3.0
91.05410	9.2
93.06974	33.4
95.04900	3.2
95.08537	95.2
97.06462	5.7
97.10081	4.6
98.97514	4.5
100.52215	2.3
105.06975	9.9
107.08553	13.2
109.06461	3.4
109.10114	30.3
116.98560	5.8
119.08553	9.8
121.10099	16.9
123.11652	12.4
129.10034	2.3
131.08566	3.4
133.10132	4.2
134.99643	14.8
135.11636	9.4
137.13255	3.5
140.11472	2.1
143.08664	2.6
147.11629	4.6
153.00755	8.9
161.13231	5.2
261.21872	3.8
279.23071	11.1
292.98560	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	297.2424
Annotation	9(10)-EpOME
Peak:m/z	Relative Intensity
55.01789	6.2
55.05454	65.3
56.96496	10.5
57.03355	5.4
57.07000	5.5
57.78195	5.3
63.32276	5.1
65.71345	5.1
67.05427	100.0
67.63673	5.2
69.03362	5.7
69.06984	60.2
79.05417	46.3
81.06978	89.8
83.08537	25.7
91.05402	12.5
93.06968	37.4
95.08529	71.5
96.72738	6.3
97.06429	7.9
97.10081	30.7
98.97512	54.2
101.19345	4.8
105.06995	7.2
107.08529	37.0
109.10102	35.3
111.08025	13.0
114.37119	5.6
116.98574	81.8
121.10081	13.9
125.09576	9.4
133.06465	8.0
134.99597	64.7
135.11693	7.5
140.52559	8.4
153.00673	14.5
190.95370	6.8
228.07065	5.9
261.22046	8.8
274.97409	42.1
279.23062	47.2
292.98474	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	297.2421
Annotation	Coronaric acid
Peak:m/z	Relative Intensity
54.81765	1.3
55.01813	2.4
55.05450	29.1
57.03362	2.2
57.07009	4.9
57.42964	1.1
65.03851	1.4
67.05424	90.5
68.28901	1.1
69.03351	1.4
69.06987	27.9
70.17194	1.3
71.04915	11.3
73.06453	1.2
79.05410	25.9
81.06971	100.0
83.04916	2.2
83.08533	15.5
85.06453	6.9
87.62209	1.1
89.74966	1.0
91.05410	12.0
93.06970	32.0
95.08528	86.8
97.06464	8.0
97.10088	10.1
98.97501	1.6
99.08003	1.8
105.06992	12.6
107.08525	18.8
109.10101	28.1
111.07956	1.7
111.11640	1.7
119.08562	12.0
121.10120	18.4
123.11651	11.0
125.09576	1.4
131.08546	5.1
133.06491	1.7
133.10085	8.4
135.11647	10.8
137.13214	6.1
145.10147	2.7
145.52519	1.1
147.11674	6.8
148.55794	1.3
149.13269	2.1
155.10706	1.3
159.11655	1.8
161.13243	6.1
165.12726	2.5
173.13171	2.9
187.14798	1.3
198.00490	1.2
243.20988	2.0
243.26834	1.2
261.22043	9.7
279.23151	28.3
292.98438	1.7
297.24240	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	297.2423
Annotation	9-Hode
Peak:m/z	Relative Intensity
50.43569	3.8
51.31416	3.3
53.41485	3.2
54.41419	3.3
54.82314	4.1
55.01795	6.8
55.05445	36.9
57.06998	4.8
58.22437	3.8
64.34122	5.1
67.05434	51.4
68.95243	3.8
69.06982	24.2
71.08545	100.0
79.05409	21.2
81.06977	65.7
83.04881	7.1
83.08538	16.7
86.97742	4.4
91.05396	19.0
93.06957	27.1
95.08515	42.7
97.06408	8.1
97.10110	6.3
98.97535	5.5
99.08023	51.5
102.59672	4.7
105.06976	17.2
107.08544	9.7
109.10098	10.1
119.08514	8.9
121.10065	5.3
131.08464	8.3
147.11646	39.6
153.12630	6.9
156.45529	4.2
165.12703	5.7
167.81935	5.1
182.19203	4.4
213.38586	4.1
243.21028	6.5
261.22067	7.1
279.23169	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2423
Annotation	Coronaric acid
Peak:m/z	Relative Intensity
53.03886	2.7
55.01805	12.1
55.05455	89.2
57.03368	6.1
57.07014	18.6
58.68053	2.2
59.04924	2.7
67.05431	90.0
69.03352	10.1
69.06989	61.4
71.08562	19.7
75.13115	2.7
79.05411	50.9
81.06977	100.0
83.04897	6.1
83.08546	48.4
85.06488	2.3
85.81543	2.5
89.54328	2.6
91.05396	10.1
93.06982	38.6
93.20993	2.3
95.08534	63.4
96.12589	2.7
97.06472	10.2
97.10104	49.1
99.08025	4.4
102.47900	2.6
105.06980	5.6
107.08548	35.0
107.33405	2.4
109.10109	46.7
117.06982	2.5
119.08547	3.7
121.10107	20.3
123.11647	13.5
125.09589	24.8
131.08534	4.6
135.11609	18.6
137.13232	3.3
145.10060	4.7
147.11650	2.9
149.13242	4.2
153.12721	5.3
173.13214	4.6
183.13782	26.4
183.29872	2.4
189.11177	10.5
200.30490	2.7
243.20903	2.9
255.03543	2.5
261.22070	10.7
279.23138	41.6
297.24216	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	298.0967
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
54.81612	0.3
56.32708	0.2
61.00792	0.3
61.01081	5.9
64.33201	0.2
69.03339	0.2
70.37891	0.3
73.71603	0.2
75.02619	3.2
97.02825	1.4
101.99577	0.2
103.02087	0.4
119.03481	0.5
134.29913	0.3
136.06160	100.0
137.04572	0.5
145.03227	0.5
155.45644	0.2
163.04166	0.3
298.09583	2.3
309.56601	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1144
Annotation	2'-O-Methylguanosine
Peak:m/z	Relative Intensity
55.01816	0.6
55.02660	0.3
55.05439	1.8
57.03363	1.5
59.04920	0.8
61.02832	0.5
69.03354	3.7
69.45994	0.3
71.04877	0.3
73.06471	0.7
74.62704	0.3
75.04410	0.5
81.06937	0.6
83.04905	0.4
85.02829	1.6
87.04375	0.7
91.91930	0.3
92.49609	0.3
95.32895	0.3
97.02830	0.6
101.05970	6.2
109.05083	1.2
110.03471	4.0
118.10263	0.3
119.07000	1.3
120.08040	0.5
128.04535	4.0
135.03001	6.1
149.04568	1.1
152.05650	100.0
153.04057	18.6
153.05920	0.6
155.50905	0.3
166.07211	25.8
167.05609	6.6
313.34677	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.274
Annotation	Palmitoleoyl-EA
Peak:m/z	Relative Intensity
55.01807	5.2
55.05452	20.7
57.07004	5.4
62.06018	100.0
64.52931	0.8
67.05429	14.1
67.48539	0.9
69.06991	21.8
70.02857	1.0
70.07325	1.0
71.08547	3.7
79.05392	8.2
81.06982	13.2
83.04905	1.3
83.08533	10.7
93.06963	10.5
95.08510	8.2
97.06455	4.6
97.10091	5.3
107.08553	5.7
109.10081	1.3
109.27801	1.0
116.98555	1.4
121.10093	8.6
134.99619	1.2
135.11685	2.3
154.71846	1.0
183.74931	1.1
216.29820	1.0
219.20987	1.2
251.90562	1.2
272.69974	1.0
280.26184	2.0
281.24826	1.8
298.27356	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.274
Annotation	Palmitoleoyl-EA
Peak:m/z	Relative Intensity
50.75948	0.8
53.00236	1.4
55.01814	1.3
55.05451	23.8
56.96491	1.1
57.03362	1.0
57.07014	9.9
59.82682	0.9
62.06018	100.0
67.05421	18.8
68.05755	1.0
69.06989	21.2
71.08549	18.8
72.08862	4.4
77.36885	1.0
79.05397	10.3
80.40508	1.0
81.06972	21.6
82.07317	4.4
83.08537	12.0
91.05380	5.4
92.05732	1.6
93.06962	10.2
94.07320	1.6
95.08537	15.6
96.08871	1.9
97.06448	1.2
97.10088	2.4
98.97537	1.5
99.08035	6.6
100.08385	1.5
105.06971	2.6
107.08539	5.4
109.10090	2.5
113.18662	1.0
114.91247	1.1
116.98573	6.3
119.08513	1.8
121.10087	6.1
122.10433	1.4
128.96382	1.1
134.99588	8.7
135.11670	2.1
137.13226	1.4
147.11674	2.3
148.12024	4.4
181.98288	1.1
228.88734	1.6
262.22717	1.2
280.23486	6.3
280.26294	3.4
281.24731	5.7
292.98434	2.3
298.20389	1.2
298.24368	1.6
298.27390	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	298.3102
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
52.33607	0.7
54.81927	0.7
55.05449	1.0
57.07013	10.3
58.02896	1.5
60.08094	30.9
71.08536	2.1
78.54385	0.9
80.62209	0.9
84.46090	0.8
85.73405	0.8
86.05994	1.9
91.47852	0.9
95.89241	0.9
116.10730	2.9
130.12280	1.5
141.41608	0.9
151.64690	0.9
261.21130	0.8
296.59076	1.0
298.30997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.3102
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
50.56762	0.9
55.05411	1.2
57.03354	1.3
57.07013	10.7
58.02892	9.0
63.87111	0.9
64.33113	0.9
67.49267	1.2
71.04916	1.1
71.08542	1.9
74.09659	1.1
86.03503	1.1
88.07555	4.6
92.10189	2.2
102.09122	12.3
111.95883	0.9
116.10704	6.3
130.12314	1.1
144.13797	1.2
293.51920	1.2
295.40103	1.1
298.31000	100.0
299.31454	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	298.3102
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
50.67641	0.4
51.31240	0.5
52.59902	0.4
53.00261	0.5
57.07009	10.9
71.08537	3.2
72.04427	7.2
73.75262	0.4
85.10107	0.8
88.61770	0.4
90.63325	0.5
92.64140	0.4
97.75306	0.4
100.07572	0.6
102.09136	4.7
116.10668	5.6
127.00748	0.4
127.97091	0.5
130.12219	2.3
144.13811	0.6
186.68723	0.5
197.82098	0.5
242.58708	0.5
244.05977	0.5
298.30978	100.0
299.31366	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	298.3102
Annotation	Tridemorph
Peak:m/z	Relative Intensity
50.04806	0.5
55.05458	1.3
57.07013	12.9
59.18902	0.5
66.14356	0.6
67.05420	0.8
69.06989	2.4
71.04914	0.8
71.08547	8.5
74.05988	6.2
81.06969	0.8
85.10091	1.1
88.07548	19.7
88.11196	2.4
95.08526	0.7
100.07536	0.6
102.09123	8.5
107.83286	0.5
116.10665	3.0
123.76775	0.5
130.12134	0.8
144.13771	0.8
158.15378	1.3
228.23184	44.4
268.38281	0.7
298.30984	100.0
299.31351	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	298.3102
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
52.45361	0.3
54.81598	0.4
55.05457	2.7
56.40499	0.3
57.06733	0.5
57.07010	13.9
60.04441	0.3
60.08089	4.9
62.91894	0.3
63.67078	0.3
67.05426	0.5
69.06979	2.2
70.06493	0.4
71.04927	1.2
71.08539	3.6
74.05989	4.9
81.06970	0.5
83.08525	0.7
85.10111	0.8
86.05941	0.3
88.07549	10.8
93.06952	0.4
95.08526	1.3
97.10118	0.4
102.09114	5.7
103.26489	0.4
109.10101	0.4
109.24637	0.3
114.09117	0.5
116.10658	4.0
124.08015	0.3
130.12233	3.2
144.13823	2.0
158.15419	0.4
195.57364	0.3
256.26303	11.8
298.30975	100.0
299.31265	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	299.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01818	7.7
55.05444	17.1
55.31416	1.6
57.03364	13.0
61.02851	4.6
61.43356	1.8
67.05467	1.7
69.03351	90.1
71.04912	4.8
73.02850	3.1
77.73473	1.7
79.05378	2.7
81.03334	2.6
81.06966	2.1
83.04897	28.2
85.02834	28.9
87.04378	4.7
91.05441	14.1
92.10202	2.2
99.04424	3.1
103.03870	4.6
105.06983	12.0
107.08543	100.0
109.06466	8.9
109.10140	2.5
111.04418	16.3
129.05443	16.0
135.08020	49.4
147.06537	7.4
165.07555	3.7
196.89456	2.4
257.70682	2.3
276.56729	2.5
304.25861	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	299.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95937	0.8
53.03886	0.8
55.01821	6.8
55.05455	16.6
56.05780	1.0
56.96497	3.9
57.03370	10.7
57.07022	1.2
59.04937	0.9
59.75718	0.8
60.04438	2.1
61.02855	5.4
62.61860	0.8
65.03850	1.5
67.05186	0.7
67.05431	12.4
68.05750	4.3
69.03347	80.7
69.06978	5.1
71.04893	6.1
71.08547	1.6
73.02812	4.6
73.48787	0.8
76.56438	1.2
78.58627	0.8
79.05389	8.6
80.05761	1.6
81.03329	3.7
81.06975	12.4
82.07305	2.1
83.04894	25.3
83.08533	3.8
85.02825	23.5
87.04381	2.1
91.05398	13.9
92.05694	1.1
93.06982	4.3
94.07294	1.4
95.08541	7.8
96.08858	2.1
97.10088	1.5
98.97511	2.1
99.04380	4.4
103.03867	5.6
105.06982	10.4
107.08531	100.0
108.08878	4.6
109.06473	8.6
109.10092	1.9
110.10558	1.0
111.04394	12.5
116.98568	5.2
119.06026	1.7
119.08527	5.3
126.09069	1.1
129.05440	15.8
133.06433	2.2
134.99646	5.2
135.08020	50.8
136.08374	1.1
147.06461	8.1
153.00737	1.8
157.99416	1.0
163.14903	1.0
165.07541	5.8
190.96251	1.5
196.63254	1.2
223.59030	1.0
229.01654	2.1
252.96368	1.2
280.23343	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	299.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95937	0.8
53.03886	0.8
55.01821	6.8
55.05455	16.6
56.05780	1.0
56.96497	3.9
57.03370	10.7
57.07022	1.2
59.04937	0.9
59.75718	0.8
60.04438	2.1
61.02855	5.4
62.61860	0.8
65.03850	1.5
67.05186	0.7
67.05431	12.4
68.05750	4.3
69.03347	80.7
69.06978	5.1
71.04893	6.1
71.08547	1.6
73.02812	4.6
73.48787	0.8
76.56438	1.2
78.58627	0.8
79.05389	8.6
80.05761	1.6
81.03329	3.7
81.06975	12.4
82.07305	2.1
83.04894	25.3
83.08533	3.8
85.02825	23.5
87.04381	2.1
91.05398	13.9
92.05694	1.1
93.06982	4.3
94.07294	1.4
95.08541	7.8
96.08858	2.1
97.10088	1.5
98.97511	2.1
99.04380	4.4
103.03867	5.6
105.06982	10.4
107.08531	100.0
108.08878	4.6
109.06473	8.6
109.10092	1.9
110.10558	1.0
111.04394	12.5
116.98568	5.2
119.06026	1.7
119.08527	5.3
126.09069	1.1
129.05440	15.8
133.06433	2.2
134.99646	5.2
135.08020	50.8
136.08374	1.1
147.06461	8.1
153.00737	1.8
157.99416	1.0
163.14903	1.0
165.07541	5.8
190.96251	1.5
196.63254	1.2
223.59030	1.0
229.01654	2.1
252.96368	1.2
280.23343	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	299.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52858	3.4
53.54256	3.4
53.68560	3.3
55.05225	4.3
55.05453	85.8
55.89711	3.1
56.52337	3.2
57.06774	3.2
57.07014	37.8
58.06529	4.5
67.05428	65.0
67.99615	3.7
69.06651	5.8
69.06989	100.0
71.08543	9.2
72.04413	7.9
78.81847	4.1
79.05417	32.5
81.06981	64.6
83.04858	4.0
83.08543	56.7
91.05404	19.0
92.10234	7.9
93.06983	36.1
95.08540	76.5
97.10110	34.2
97.10625	4.2
105.06947	9.8
107.08518	19.8
109.10117	35.9
111.11671	6.9
119.08523	15.3
121.10078	17.1
122.12241	4.3
123.11665	9.2
133.10159	14.5
134.99565	5.8
135.11646	8.0
147.11650	7.8
149.13203	6.2
153.00848	4.5
161.13219	7.1
163.14772	6.7
217.93321	4.5
219.87196	4.3
230.24739	5.6
245.22614	16.2
258.24280	32.7
263.23676	17.3
275.97583	5.0
279.02182	4.3
281.24789	5.2
298.18307	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	300.2896
Annotation	Palmitoyl Ethanolamide
Peak:m/z	Relative Intensity
55.05429	1.1
56.96499	1.6
57.06772	1.0
57.07013	15.6
58.06453	0.9
59.59088	0.8
63.60501	1.0
69.06972	1.1
70.06512	14.2
71.08533	6.7
81.06973	1.2
84.08054	2.3
85.05128	1.0
85.10101	1.4
86.14812	0.9
88.07553	6.4
91.05399	1.1
91.79749	0.9
95.08565	1.6
98.97523	2.0
100.07534	7.9
114.09118	26.5
116.98569	4.5
121.10107	1.4
130.08580	1.7
132.10170	40.9
134.99631	6.0
256.26404	2.3
277.00891	1.1
300.28915	100.0
301.29459	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	300.2894
Annotation	Palmitoyl Ethanolamide
Peak:m/z	Relative Intensity
50.45555	1.3
54.81920	1.7
55.05456	1.7
57.07021	24.4
59.60443	1.4
62.06018	100.0
67.05420	3.7
69.06985	3.2
71.08556	14.4
81.06974	7.4
83.08565	2.4
85.10099	6.7
95.08536	7.3
109.10101	2.0
135.96626	2.1
224.17084	1.8
247.79213	1.6
282.27780	3.5
283.26227	7.2
300.28937	13.1
300.32596	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	301.1187
Annotation	5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB]
Peak:m/z	Relative Intensity
53.99381	0.6
55.01797	0.6
56.96483	2.7
70.06513	7.0
72.08065	1.2
80.14441	0.8
84.04415	0.7
84.08060	1.5
86.09624	7.6
87.09867	0.7
92.10335	0.9
98.97519	1.5
116.07030	4.2
116.98554	1.4
121.02843	0.9
126.67171	0.7
129.59256	0.6
134.99623	1.6
138.67058	0.6
151.03922	4.8
157.13425	1.2
171.05573	4.4
177.00708	0.7
184.24397	0.7
189.74339	0.7
216.84125	0.7
227.04350	0.9
237.02545	0.9
283.10797	4.1
301.11954	100.0
302.12146	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	7.0
55.05448	1.5
56.96490	9.4
57.03368	5.6
65.03851	7.0
67.05415	6.3
69.06977	2.4
70.06499	9.2
71.04887	1.4
72.08072	1.6
73.02829	45.3
74.69284	1.4
81.06991	2.1
84.04426	2.3
84.08032	6.4
85.02805	6.8
86.09602	3.1
91.05415	2.7
93.03345	1.5
93.06943	3.1
95.04905	15.2
97.02815	1.9
98.97491	8.1
105.07014	2.1
110.03597	2.6
110.07079	1.6
111.04377	2.3
116.98540	8.9
121.06438	2.0
123.04378	13.6
125.02261	6.3
125.05909	2.6
134.99602	10.4
138.03084	2.0
140.04648	83.8
142.73853	1.8
146.99648	2.5
149.18021	2.1
153.05411	2.6
155.06998	39.6
171.06454	11.7
173.08075	2.5
181.04912	100.0
181.08385	2.2
194.00969	1.7
205.13968	1.6
209.08066	13.0
217.25702	1.5
219.01712	2.5
227.09145	24.0
279.03983	2.0
301.12949	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	302.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57035	0.8
53.06993	0.8
53.19693	0.8
56.96502	61.3
56.96786	2.0
60.23478	0.7
60.95789	6.7
63.64420	0.8
64.33418	0.8
70.06510	1.4
71.14943	0.8
71.95151	1.0
74.97516	14.5
84.95952	14.5
88.39962	0.9
90.80549	0.8
92.98563	5.0
98.97513	80.9
102.96804	18.3
110.97517	4.8
112.99088	1.8
115.97764	1.1
116.98567	96.0
120.97859	26.5
122.29687	1.0
128.98557	16.5
131.00145	8.2
134.99623	100.0
138.98914	34.2
140.00153	1.3
140.98578	8.5
143.00131	21.4
144.47589	1.2
145.01639	2.2
146.99635	25.0
149.01173	9.4
149.04810	1.7
153.00679	25.0
156.99983	8.1
158.01198	5.7
158.99623	31.2
161.01183	48.9
162.99075	2.2
163.02773	1.3
165.00688	6.0
167.02251	1.5
170.94670	0.8
170.99615	11.8
173.01175	14.5
174.99162	1.1
176.02254	1.1
177.00668	56.3
179.02301	10.0
182.99768	0.9
184.02719	1.8
189.00655	23.0
191.02228	20.8
194.94643	7.2
195.01714	13.2
200.02237	2.2
201.00635	13.2
207.01741	8.9
212.02132	1.2
212.95653	7.4
219.01750	24.8
219.08998	1.3
231.01672	1.5
236.95665	4.5
237.02748	21.1
242.03299	1.5
249.02773	1.9
254.96672	8.4
254.99237	1.5
255.03810	1.4
260.04367	1.3
260.95645	2.0
261.02747	30.6
277.00711	1.0
278.96829	24.7
279.00381	3.8
279.03760	39.0
296.97806	33.8
301.98376	1.9
302.05365	3.5
319.99344	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	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25944	2.5
55.01804	3.4
56.96496	32.5
57.03373	4.5
61.02856	5.7
65.03885	5.3
67.05428	75.1
69.03348	36.8
69.06981	15.7
70.06500	7.1
81.03335	6.8
84.08056	7.4
84.95956	13.2
85.02821	50.1
92.10400	4.2
94.06503	4.4
95.04893	99.6
95.07346	2.6
97.02811	43.0
98.97515	33.1
102.96957	3.5
103.79385	3.3
109.02847	12.9
112.07553	76.6
113.05984	10.3
116.98563	30.5
119.01826	3.2
122.05957	3.3
127.03893	3.9
129.10168	3.0
134.99628	37.6
137.05963	6.8
140.07040	100.0
143.00174	5.8
146.99644	7.0
149.01184	5.5
153.00668	7.0
154.08578	11.4
155.00113	5.4
158.99628	19.2
161.01186	13.6
173.01233	21.1
177.00671	34.2
182.08093	43.6
189.00700	12.9
191.02258	13.8
201.00696	5.8
206.08110	5.8
219.01749	19.7
222.23489	3.9
224.17242	3.1
237.02809	14.7
248.08995	3.4
257.33618	4.2
261.02823	12.2
279.03784	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	302.1499
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
50.13213	0.3
50.66294	0.3
51.47527	0.3
53.44185	0.3
55.01811	1.6
56.96501	0.5
59.63684	0.3
66.11890	0.3
68.04945	0.6
70.06513	37.6
85.02807	0.5
92.10305	0.7
105.03326	0.9
114.05479	18.8
115.05400	4.8
116.07044	18.0
116.98581	0.6
117.05722	4.4
117.06963	0.6
118.06480	0.9
125.07078	6.3
130.06494	20.2
132.08058	63.2
133.08417	0.8
134.99706	0.5
142.06512	7.7
144.08069	13.5
155.01605	0.5
155.40619	0.4
159.09152	100.0
160.07545	6.5
160.09479	2.1
161.01132	0.4
170.05988	22.1
171.07617	2.7
172.07582	3.4
177.00580	0.8
188.06990	0.6
194.04449	0.4
257.12781	1.7
285.12292	26.5
302.14963	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	302.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	1.0
55.01806	3.6
56.96246	0.5
56.96495	5.6
57.03371	6.0
57.82751	0.4
60.17999	0.5
61.02856	11.3
64.33250	0.5
67.05402	1.1
69.03347	19.5
69.06975	2.7
70.06519	2.0
71.04900	3.4
73.02835	6.0
75.05505	3.3
75.05885	0.6
80.13300	0.5
81.03333	8.0
81.06953	1.1
84.08048	1.0
84.95953	0.7
85.02825	100.0
86.09627	21.7
87.04383	3.1
88.04552	0.6
91.03863	4.8
91.05416	0.7
92.63741	0.5
97.02819	22.8
98.97517	3.8
99.04366	3.8
103.61469	0.6
105.06976	9.0
106.02872	0.9
107.08466	0.6
109.02830	7.5
115.03883	1.0
116.07799	0.5
116.98565	4.3
117.94307	0.5
118.02502	0.5
119.08547	0.9
121.02834	1.0
121.10091	0.9
124.03902	2.2
127.03867	19.0
128.98631	0.5
134.99628	4.7
143.00153	0.7
143.11769	12.4
145.04935	22.4
153.00655	0.9
158.06831	0.7
158.99612	1.0
161.01169	2.8
163.05946	4.2
171.11284	2.8
173.01207	0.8
177.00659	3.7
180.08653	0.8
189.00731	0.8
207.06419	0.6
215.76163	0.6
219.01787	0.9
237.02750	0.8
261.02753	0.9
279.03949	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2074
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
55.05457	0.8
56.96505	3.6
61.02840	0.5
67.05420	1.8
69.03335	2.1
69.06990	6.3
70.06506	1.0
71.04943	0.6
71.07298	0.6
72.08066	2.3
73.02839	0.5
75.05521	8.0
76.48397	0.4
79.05420	0.7
81.03343	0.9
81.06977	1.8
82.06510	0.6
84.04436	0.4
84.08075	0.7
84.95915	0.8
85.02824	2.1
86.09628	100.0
87.04402	1.0
91.05388	0.7
93.06987	1.1
95.04922	0.6
95.08536	0.8
97.02808	0.6
97.06472	0.4
98.05987	0.4
98.97507	2.9
99.30836	0.5
105.06976	0.6
107.08531	1.8
116.98531	3.4
123.07991	0.6
127.03934	0.5
132.10167	7.4
134.99669	3.6
143.11778	29.2
146.99626	0.8
158.99684	1.9
161.01202	2.4
171.11237	8.3
173.01202	0.9
177.00723	3.4
181.04951	2.0
189.00710	0.6
189.12279	3.3
191.02283	0.7
207.01579	0.5
219.01691	1.0
237.02855	1.0
238.17947	4.1
256.19019	7.2
256.21390	0.6
261.02536	0.6
269.10602	1.9
279.03928	0.5
288.06815	0.5
302.19843	2.8
315.11163	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	302.3052
Annotation	Sphinganine
Peak:m/z	Relative Intensity
51.71582	0.5
54.81684	0.6
57.07009	14.2
70.06143	0.7
70.06512	21.1
71.08542	6.1
81.68034	0.5
85.10085	2.7
88.07556	24.2
102.09109	7.3
106.08611	11.7
106.23472	0.6
114.37558	0.7
121.77496	0.7
127.17298	0.5
187.70030	0.6
247.16490	0.7
258.28009	0.8
272.44208	0.7
284.29446	8.5
302.30475	100.0
303.30963	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	302.3053
Annotation	Sphinganine
Peak:m/z	Relative Intensity
51.03842	0.8
55.05454	15.9
56.04963	2.3
57.07006	6.7
59.77921	1.0
60.04457	100.0
60.56641	1.0
64.20855	0.9
66.71876	1.2
67.05132	1.1
67.05434	22.7
68.13696	0.9
69.06992	13.7
70.06486	2.4
71.04897	1.8
71.08533	2.0
72.33053	1.0
72.65553	0.8
79.05389	1.1
81.06589	1.0
81.06985	22.5
81.65929	0.9
83.08546	8.5
84.28313	1.0
85.10073	1.3
87.20206	0.9
93.06932	1.2
95.08531	18.8
97.10100	4.2
109.10107	6.6
128.92361	1.1
234.51193	1.1
254.28333	17.1
262.79996	1.1
266.28418	7.9
284.29431	43.4
302.30478	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.305
Annotation	Sphinganine
Peak:m/z	Relative Intensity
52.94590	0.3
55.05443	0.7
57.07015	15.5
57.31134	0.4
58.06530	0.8
60.04438	0.6
60.95786	0.5
62.17838	0.4
70.06134	1.0
70.06512	26.2
71.08548	6.6
74.16344	0.4
85.10108	1.0
86.09608	0.7
88.07556	24.9
88.29716	0.4
93.13483	0.5
99.02554	0.5
100.65515	0.4
102.09135	5.7
106.08619	12.4
126.74973	0.4
150.65172	0.5
168.78459	0.5
172.17604	0.5
240.26851	0.7
258.27811	0.8
284.29431	9.1
295.20822	0.5
302.30496	100.0
303.30771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96498	2.7
59.92982	0.3
60.69505	0.2
71.46700	0.2
84.08057	0.3
98.97501	2.1
116.98553	2.9
119.01873	9.2
134.99605	3.0
135.99930	0.3
137.02919	6.1
153.00783	1.5
155.00130	1.4
157.01788	0.3
158.99724	0.6
161.01161	0.5
161.02675	0.3
173.01216	2.9
175.02922	0.4
177.00912	21.2
178.01007	1.3
189.00661	1.5
191.02292	1.3
193.03992	1.0
195.02002	0.6
201.00732	2.1
207.01703	0.3
217.04053	3.8
219.01953	37.7
220.02016	2.8
221.02238	0.3
225.00822	1.6
231.01678	0.2
237.02780	1.9
243.01903	4.2
256.96533	1.3
261.02997	100.0
262.03162	8.8
263.02942	0.4
274.97433	1.1
279.00555	1.5
279.03598	0.4
279.98083	0.4
280.00854	0.4
284.04636	2.1
303.00806	0.6
303.04184	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32018	1.5
55.05435	2.3
56.96497	26.7
64.55211	1.5
69.06985	1.9
70.06494	9.5
70.63422	1.7
72.08073	15.2
84.04410	3.8
85.02853	1.4
86.09631	18.2
93.06936	1.7
98.97507	4.1
110.07106	3.6
116.07034	9.1
116.98565	9.2
122.03577	2.9
129.10191	2.5
134.99611	8.6
137.05940	32.5
139.55923	1.9
141.05182	4.2
155.00151	4.4
159.11385	2.1
161.01184	7.5
173.01151	22.4
177.00671	3.1
185.16565	1.8
189.00662	9.4
191.02219	6.7
201.00621	8.4
206.37996	2.1
207.01711	3.2
219.01686	16.4
237.02818	6.9
244.83374	1.9
261.02750	8.1
279.04004	2.2
303.06940	3.8
303.10431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.7
55.01805	1.7
55.05457	1.8
56.04955	1.0
56.96489	3.2
57.03361	4.7
59.88134	0.7
61.02853	10.9
64.70517	0.7
69.03342	4.9
70.06510	3.9
72.08067	49.6
73.02824	6.2
73.54303	0.8
79.05390	0.7
81.03320	3.4
81.87044	0.8
82.05246	0.8
83.06016	12.4
84.04406	1.0
84.08067	1.7
85.02826	14.4
86.09623	19.4
87.05505	1.8
89.15803	0.8
90.05482	12.1
91.05397	6.8
93.03342	0.8
93.04458	9.4
97.02811	4.6
101.07063	1.5
103.03864	16.9
103.05392	5.4
105.03316	3.8
105.06989	3.1
106.13701	0.8
107.04878	1.0
109.02816	16.2
110.07111	100.0
111.76604	1.0
115.05409	3.9
116.98559	1.7
119.04900	17.5
119.88211	0.9
122.03609	1.2
123.04349	1.2
125.05931	1.8
129.10191	34.2
130.06551	1.0
131.04886	3.0
133.02815	33.4
133.06126	5.3
134.03632	1.6
135.04457	1.0
137.05940	13.5
138.06561	1.0
139.03831	0.9
141.05432	5.4
143.04916	1.8
143.10753	0.8
143.11754	6.3
146.03625	1.2
147.04376	33.4
147.07588	12.0
149.05927	1.1
150.03055	1.7
151.03828	1.8
153.05449	19.1
156.07652	1.7
157.09686	8.5
159.04391	1.9
161.05931	16.3
162.03072	15.9
163.03899	4.9
164.04649	1.0
165.05411	11.8
171.04341	3.8
171.11258	1.3
173.01192	1.3
175.03838	9.8
175.07549	0.8
176.04726	1.0
177.05428	77.4
178.05792	1.1
178.76033	0.8
179.06981	6.9
181.04880	1.2
182.99825	0.8
189.05418	12.1
191.06941	2.0
192.04140	15.6
199.03732	0.8
203.06964	6.0
205.04918	5.6
207.06482	25.5
207.31308	0.9
212.11737	0.8
219.01738	1.4
231.06415	7.5
237.02788	0.9
249.07578	3.2
267.08554	6.0
285.15671	1.1
303.11130	0.8
303.14026	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	303.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30195	0.7
52.48316	0.9
55.01815	1.1
55.05440	6.6
56.96495	5.9
57.03356	2.4
61.02843	4.5
64.33094	1.2
67.05416	1.0
69.03338	4.0
69.06978	7.5
69.69371	1.0
70.06511	8.3
72.08070	100.0
73.02830	3.6
74.02350	7.0
75.05530	6.9
76.55772	0.9
81.03341	1.2
83.28458	0.8
83.38680	0.9
84.04420	6.2
84.08064	2.1
85.02825	8.9
85.68217	0.9
85.92028	1.1
86.09628	51.7
87.05513	9.0
88.03907	2.1
90.05470	11.0
91.05386	1.8
97.02814	1.6
98.97497	1.7
101.07067	4.8
103.03872	5.7
103.05396	1.1
105.03317	1.7
107.04864	1.4
109.02821	6.6
110.07141	1.4
111.04405	1.8
116.07072	1.8
116.98538	1.7
118.08613	1.4
119.04887	8.8
123.05505	4.6
125.05925	1.2
127.03905	1.0
129.06532	3.6
129.10208	31.0
133.02835	12.0
133.06052	17.5
134.99608	2.0
137.05940	5.5
139.03810	1.2
143.11780	23.3
147.04379	15.0
147.07591	5.0
149.05956	1.6
153.05415	6.9
157.09679	7.8
161.01160	1.6
161.05984	6.7
162.03073	4.0
163.03827	1.2
165.05437	4.8
171.04355	1.1
171.11238	1.8
173.01196	2.2
175.03925	1.4
175.10713	3.9
177.05443	25.5
179.06978	1.3
189.05470	6.4
192.04141	5.4
201.00729	1.2
205.04921	1.7
207.06482	7.7
219.01740	1.3
228.13345	2.0
231.06480	1.7
285.15506	1.4
303.10422	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	303.253
Annotation	1-myristoyl-glycerol
Peak:m/z	Relative Intensity
51.68663	1.0
53.00234	2.0
53.29080	1.1
55.05461	9.9
57.03371	5.8
57.07014	100.0
60.36407	1.0
61.22131	1.0
64.50674	1.0
64.82835	1.1
67.05073	1.8
67.05427	22.3
68.89792	1.2
69.06993	23.1
71.08549	59.9
72.04411	1.7
75.04387	1.8
81.06973	25.3
83.08526	7.0
85.10110	26.7
89.05910	1.3
95.07948	2.3
95.08537	41.7
97.10111	7.5
99.07974	1.3
101.80051	1.2
104.99215	5.8
109.10117	15.8
111.11658	7.4
123.11659	7.0
137.13252	2.1
155.76135	1.4
198.07899	1.3
206.89456	1.3
211.20543	18.7
229.21558	2.7
275.15707	1.4
285.24188	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	2.7
54.81923	1.7
55.01799	2.4
55.05430	2.2
56.04971	1.9
56.96494	4.4
57.03364	8.6
57.06999	2.3
60.04443	12.6
61.02839	4.4
67.05428	2.4
69.03006	1.9
69.03354	31.7
69.06989	72.4
70.06510	14.8
71.04885	3.6
71.08547	45.2
72.08060	3.6
73.02829	3.5
81.03343	13.0
84.04423	11.3
84.08058	11.0
85.02341	3.6
85.02829	90.1
86.02333	12.6
86.05968	7.5
86.06486	1.6
86.09620	7.9
87.04374	2.5
95.08487	2.3
96.04392	2.3
96.08057	8.8
97.02819	57.9
97.06471	15.2
98.97531	3.2
99.04375	4.0
103.03878	3.3
109.02836	15.9
114.05469	1.9
114.09124	33.4
114.37901	1.8
116.98537	3.0
120.07989	2.9
124.07554	2.3
127.03872	12.6
130.06476	2.8
134.99619	2.3
135.08072	1.8
138.09093	4.1
142.08615	100.0
145.04919	4.1
151.03851	3.0
156.10138	2.7
184.09665	61.6
185.08070	2.4
208.09651	11.8
250.10667	4.2
254.45726	1.9
304.11841	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	304.1655
Annotation	H-Trp-Val-OH
Peak:m/z	Relative Intensity
54.94234	0.6
55.01821	0.7
55.05451	16.1
56.96497	1.2
57.05761	0.9
57.07010	1.2
69.06998	1.1
70.06516	2.4
72.08067	100.0
79.05402	1.1
81.07001	0.8
84.04424	1.1
85.02822	0.7
86.09633	3.3
95.04911	0.9
98.05963	5.0
98.97521	0.8
99.09161	3.1
110.07188	0.8
115.05411	3.5
116.07053	3.9
116.98564	0.8
117.05690	3.1
117.07001	1.0
118.06474	9.8
121.10100	0.8
127.08659	3.6
128.12943	0.7
130.06500	14.6
132.08049	43.4
142.06444	6.2
143.07211	1.3
144.08051	30.2
146.05980	37.9
149.01176	0.9
158.08369	1.3
159.09138	60.6
160.07489	7.0
170.05959	15.2
177.00729	0.8
181.79358	0.7
188.07024	53.9
205.09669	18.7
259.14252	0.9
266.85791	0.7
287.13809	14.9
304.16507	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	304.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19941	0.1
52.32190	0.1
55.01793	0.1
55.05230	0.1
55.05455	2.3
57.06997	0.2
64.65527	0.1
65.03825	0.1
66.04633	0.3
67.05434	1.2
69.03336	0.1
69.06980	0.6
71.08544	0.2
72.04443	0.2
76.49200	0.1
77.03885	0.1
79.05399	0.8
81.03307	0.2
81.06981	1.6
83.04890	0.2
83.08546	1.9
85.05239	0.1
91.05392	0.7
93.06945	0.1
94.04105	2.9
95.04904	0.2
98.05970	0.2
105.06969	0.3
107.04894	0.2
107.08529	0.3
109.06477	0.2
109.10109	1.6
122.03601	9.8
123.11649	0.5
124.07613	0.2
133.10095	0.8
137.05957	100.0
138.06305	0.8
151.11180	1.1
168.13843	0.9
180.13788	0.8
304.28384	0.5
312.15363	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	304.2633
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
55.05440	5.5
57.07003	4.2
58.17138	0.7
60.93395	0.7
67.05430	1.1
68.51492	0.8
69.06987	8.0
72.04430	100.0
79.05429	0.8
83.08536	3.1
91.05402	10.1
92.10364	0.9
94.09451	0.7
97.10088	0.8
100.07571	1.9
104.99220	3.3
105.06979	23.2
111.11659	1.3
113.05943	1.0
114.09132	6.8
119.28647	0.9
128.10681	1.1
133.10118	4.7
147.11636	7.9
164.83289	0.8
170.15334	3.4
184.16841	1.2
185.72780	0.8
248.19965	7.2
262.21628	1.2
304.26285	80.3
306.30862	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00253	1.9
53.29996	2.0
55.05429	2.6
57.07003	17.1
58.06521	3.3
66.40690	2.2
67.05426	3.9
68.52375	2.4
69.06973	5.4
70.06512	46.2
70.68443	2.2
71.08536	3.9
74.54440	2.4
78.03217	2.7
81.06974	9.5
88.07563	35.7
93.06952	4.7
102.09123	26.7
109.06443	2.7
109.10157	3.4
109.51787	2.9
110.91920	2.9
161.05846	3.5
219.17426	18.5
219.52768	2.9
242.24753	74.4
286.27356	5.4
304.28412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40093	0.9
55.05446	1.1
56.04970	19.1
57.07006	19.0
58.06540	10.0
58.27999	1.0
60.04173	1.2
60.04454	24.6
67.05415	1.2
69.06987	2.0
71.08544	7.7
74.05981	16.3
75.18945	1.0
79.05401	1.4
80.67261	1.1
81.06967	1.8
84.68673	0.9
85.10110	1.5
86.05961	0.9
88.07549	73.2
90.01122	0.9
104.99215	10.9
105.06958	1.1
118.08590	14.9
122.08078	6.4
137.05896	1.7
150.96436	1.0
152.07080	1.0
181.10634	1.0
256.26273	56.2
257.26471	1.3
268.26404	1.1
286.27267	5.2
304.28397	100.0
305.28781	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	304.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17395	3.6
55.05449	9.8
56.04977	77.6
57.07016	67.7
58.06538	39.7
60.04449	7.2
60.21314	4.0
62.27921	3.5
63.14166	3.4
67.05424	20.1
68.04943	3.8
69.06988	19.4
71.08552	44.3
74.05997	49.5
79.05393	5.9
81.06974	27.5
85.10092	18.2
86.05970	7.1
88.06889	4.6
88.07503	5.3
91.05404	7.4
93.06954	6.0
95.04881	7.1
95.08545	8.7
104.99236	39.0
107.08527	5.0
109.10086	7.4
113.05927	7.9
118.08602	16.4
122.03614	4.9
122.08088	52.9
137.05971	28.7
145.10132	4.3
152.07053	21.1
161.03067	4.8
285.85461	4.9
304.28763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81779	0.1
55.05449	0.3
56.96503	0.3
65.42276	0.2
67.05431	0.2
68.04932	0.2
69.03339	0.2
69.06972	0.2
70.06509	100.0
72.08067	2.4
72.24151	0.1
73.08406	0.2
79.05426	0.2
80.14315	0.1
80.90884	0.1
85.07594	0.3
89.03832	0.4
98.52951	0.2
98.97525	0.4
109.06429	0.2
112.08675	21.5
116.15843	0.2
116.98551	0.2
117.03329	2.8
118.06464	0.2
130.06473	0.3
132.08080	0.3
133.08435	0.2
135.04321	0.2
145.02821	7.4
146.06009	0.8
147.06348	0.2
149.05978	0.8
159.09143	1.0
160.09473	0.3
177.05441	3.9
188.07045	1.0
189.07318	0.8
205.09711	0.3
206.09993	0.2
242.42987	0.2
276.07471	0.2
305.16013	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	305.1608
Annotation	Urechitol B
Peak:m/z	Relative Intensity
68.04965	0.2
70.06512	100.0
70.72447	0.1
71.06829	0.4
85.07587	0.4
89.03849	0.5
92.10259	0.1
95.06009	0.4
102.62766	0.1
112.08678	23.2
112.64175	0.1
117.03338	2.3
134.03610	0.1
145.02826	6.5
149.05977	1.1
177.05435	5.1
194.08078	0.2
194.22404	0.1
214.22472	0.1
233.77153	0.1
305.16034	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	306.1449
Annotation	Thr-Trp
Peak:m/z	Relative Intensity
50.35144	0.8
52.77092	0.8
55.05436	1.1
56.04972	15.2
56.96494	5.4
57.03370	4.5
57.57750	1.0
58.06519	2.1
63.60459	1.0
67.05393	1.1
69.03339	2.1
69.06975	1.3
70.02952	1.0
70.06514	9.4
72.08038	1.1
72.93697	1.2
74.05988	63.8
75.04375	1.8
80.11513	0.9
81.03378	1.0
81.06955	1.1
84.04417	10.0
84.08079	1.9
85.02825	7.6
85.03941	6.6
86.09633	4.9
89.86423	1.0
92.10970	1.3
97.02858	2.4
99.04395	2.2
103.03817	1.4
109.02841	1.4
109.06410	1.2
110.07078	2.4
111.05540	1.0
115.05367	1.3
116.98576	1.0
118.06506	15.8
119.01861	2.2
127.03832	1.5
129.06592	2.6
130.06479	12.0
132.08049	12.3
137.05960	13.9
142.06523	1.6
143.07301	1.3
144.08069	23.7
146.05988	71.1
150.96906	1.8
157.07547	1.4
158.08388	1.5
159.09146	13.7
161.02856	1.5
162.08980	1.1
169.07530	1.1
170.05980	6.0
188.07024	100.0
197.10760	1.3
201.00648	1.3
205.09669	25.5
241.00381	1.4
245.09222	2.6
260.13907	1.3
288.13379	1.4
296.76624	1.3
306.14429	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	306.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04500	4.1
58.06522	2.5
58.74113	0.5
59.07307	2.3
60.08101	9.0
70.06509	47.7
71.04905	0.8
72.08067	2.9
74.07116	20.4
82.45613	0.6
84.04407	0.9
84.08064	6.6
85.02829	1.0
88.07563	0.8
97.07594	0.7
102.05499	0.6
111.83293	0.5
112.08671	0.7
115.08649	4.7
116.07042	24.7
118.08601	100.0
125.12796	0.5
126.10221	0.9
130.04979	15.5
130.08607	3.9
133.09688	2.1
144.11310	11.2
158.09218	4.0
169.16106	0.6
171.12364	0.6
172.10788	2.8
189.13466	63.7
189.16006	3.1
197.00511	0.5
214.91956	0.5
239.22513	0.5
306.21295	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05426	0.7
56.17063	0.3
56.96500	0.7
57.06742	0.7
57.07012	19.3
58.44845	0.4
61.67316	0.4
62.87313	0.3
67.05418	1.9
69.06984	0.9
72.04434	0.8
79.05400	0.9
81.06981	0.8
83.08525	0.4
88.07552	3.3
89.07835	0.4
91.05436	0.6
92.10287	0.9
93.06934	0.5
94.04110	2.3
95.08520	0.9
107.04192	1.0
107.04902	23.2
107.08505	0.6
109.06443	0.5
121.06487	0.6
122.03600	9.5
127.44591	0.5
135.11636	0.7
137.05956	100.0
138.06238	1.5
147.08049	0.6
163.11140	6.1
170.15323	0.5
182.15395	0.9
194.11729	34.9
195.12148	0.5
219.01920	0.6
219.17400	2.4
224.84242	0.4
250.17952	22.1
261.02982	0.5
306.20914	0.7
306.24246	6.0
306.27649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81540	0.5
55.05441	0.5
57.07012	14.5
58.06530	5.1
59.59399	0.5
62.00517	0.4
67.05421	0.7
68.04938	0.8
69.06969	0.5
70.06509	49.5
71.08546	7.1
72.08068	5.5
72.53938	0.5
78.68046	0.6
81.06966	1.2
81.19228	0.6
84.08070	4.5
86.09630	5.9
88.07554	27.7
89.05950	1.0
95.84933	0.5
102.09111	11.9
114.09093	0.6
132.10170	15.4
137.05972	0.8
146.11742	15.2
156.17447	5.5
158.81747	0.6
162.73170	0.5
182.18948	1.2
200.20061	41.8
244.22659	61.6
248.90688	0.5
280.95862	0.5
288.25177	2.9
306.26328	100.0
307.26724	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32877	1.1
54.82130	1.7
55.05452	1.4
56.04959	6.8
57.07012	9.7
58.06532	18.0
60.04454	2.1
60.41094	1.3
71.08578	1.5
71.37351	1.3
72.08094	4.3
74.05990	8.5
81.06980	2.2
81.48528	1.3
85.10102	1.6
86.05991	3.4
88.07552	80.3
92.92300	1.5
95.04884	5.8
100.07517	2.9
101.87075	1.3
104.07038	7.0
109.06454	11.4
110.06793	5.7
132.10167	24.1
137.05945	2.6
162.11246	2.8
166.10780	6.6
188.25749	1.4
214.21632	64.1
242.07159	1.4
258.24246	23.2
306.26324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86417	1.5
55.05450	18.7
62.91251	1.5
64.33173	1.8
66.20888	1.5
67.05439	18.4
67.77561	1.9
69.06983	12.8
74.06618	1.7
78.55658	1.7
79.05405	4.3
81.06979	16.3
84.89548	2.0
85.05205	2.8
92.10961	2.3
93.06948	3.4
95.08535	8.3
98.05990	26.6
109.23214	1.9
111.55061	1.9
112.07530	2.6
136.99663	1.9
137.05962	29.6
157.57735	2.0
159.56094	1.9
160.57924	1.9
306.27869	100.0
310.32224	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	306.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00280	0.2
50.48180	0.2
53.66789	0.2
54.15741	0.2
55.01817	0.4
55.05453	7.2
56.96509	0.4
57.07022	2.3
59.01067	0.3
66.04629	0.3
67.05427	7.7
67.55906	0.3
69.03342	0.3
69.06989	8.5
72.04416	0.4
73.27641	0.3
78.52189	0.3
79.05408	3.0
81.06974	7.5
83.08530	1.8
85.05208	1.6
86.05999	0.6
91.05406	2.1
93.06972	2.0
94.04105	2.7
95.04881	0.5
95.08533	4.4
97.10113	0.3
98.05360	0.5
98.05990	11.5
100.07500	0.3
103.87943	0.3
105.07012	0.6
106.56940	0.3
107.04893	2.1
107.08551	1.6
109.06487	0.4
109.10086	2.3
112.07536	1.3
121.10033	0.3
122.03595	9.8
123.11625	0.4
126.09064	1.1
130.87354	0.4
133.10068	0.6
135.11655	1.2
137.05952	100.0
138.06285	1.3
138.12778	0.4
145.03566	0.4
153.12651	0.5
170.15375	0.4
182.15346	1.8
194.11740	2.7
222.18439	0.4
222.31796	0.4
250.17885	1.4
261.03021	1.1
306.27838	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	0.8
53.03901	0.8
55.01797	0.7
55.05453	12.3
57.07017	6.8
62.99238	0.4
63.09214	0.5
63.59536	0.5
65.03864	1.1
67.05429	46.8
69.06989	8.0
71.08557	2.7
72.04430	100.0
73.04767	0.5
79.05405	11.8
81.06976	37.5
83.08530	2.2
85.10094	1.2
87.06739	0.6
88.07560	0.5
89.05960	4.6
91.05404	3.1
93.06981	9.1
95.04897	0.7
95.08535	24.3
97.06488	0.6
98.06014	0.8
100.07552	3.8
105.07001	1.3
107.06996	5.0
107.08547	4.6
109.10110	8.0
114.09116	7.4
116.91622	0.5
117.06940	0.7
118.52081	0.6
119.08554	1.0
121.10106	3.1
122.03602	2.6
123.11657	2.5
125.91799	0.6
128.10696	4.8
130.75217	0.5
131.08522	0.9
133.10136	0.7
135.11630	1.3
137.05959	27.0
137.13284	0.7
142.12259	3.5
149.13199	0.8
156.13834	3.4
168.13873	0.8
170.15363	1.3
182.15385	1.3
184.16927	0.9
186.20634	0.6
198.18462	2.0
210.18440	0.8
213.35793	0.6
214.77017	0.6
218.14037	0.6
261.22009	1.0
266.19839	0.6
284.91177	0.5
306.27872	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00233	0.9
55.05458	11.0
57.07007	3.4
63.20002	0.9
65.03860	2.1
67.05431	47.3
67.24329	0.8
69.06992	10.2
71.08538	0.9
72.04434	100.0
79.05397	9.2
81.06973	31.7
83.08549	2.1
83.23849	1.0
83.77544	0.8
89.05943	1.2
91.05397	2.2
93.07005	7.7
95.04912	1.1
95.07961	1.4
95.08531	29.3
95.83817	0.9
97.10047	1.6
100.07545	4.7
105.06968	1.1
107.06997	1.1
107.08530	6.2
109.10131	8.8
109.10729	1.1
114.09115	7.3
121.10142	2.1
122.03593	4.8
123.11603	1.3
128.10674	4.5
133.10120	1.2
133.41420	1.1
135.11702	1.5
137.05957	33.6
142.12218	3.7
182.15410	1.4
184.16887	1.2
198.18495	1.0
212.19872	1.2
232.59673	0.9
243.21111	1.0
263.92062	1.1
305.65985	1.1
306.27856	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	307.1763
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
54.15827	0.3
56.96508	0.5
57.46475	0.3
60.05572	2.5
63.00814	0.3
70.06503	2.5
70.98971	0.3
71.04893	0.4
71.06827	1.3
72.08073	5.9
81.35934	0.3
85.02830	0.8
89.03828	3.2
91.96711	0.3
92.70609	0.3
97.07564	1.5
98.05965	0.5
98.97484	0.5
114.10236	8.7
115.08637	0.8
117.03328	16.0
128.98586	0.4
131.12883	2.2
134.03618	0.5
135.04341	1.5
145.02826	72.2
149.05968	7.5
157.10834	0.5
177.05435	100.0
178.05791	0.5
185.08073	0.4
192.78419	0.4
214.73119	0.4
247.14278	2.4
248.12727	3.9
290.15057	4.1
307.17603	33.7
308.18140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1764
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
53.03892	0.7
53.11811	0.6
53.96665	0.6
54.30436	0.8
55.01804	0.8
55.05450	3.3
56.96494	3.3
57.03358	0.9
58.57362	0.7
58.61771	0.7
58.99508	1.2
60.05573	5.3
67.05424	0.8
69.03349	7.9
70.06509	9.4
71.04888	4.2
72.08067	18.3
73.02829	0.8
76.02138	10.3
81.03332	7.2
81.06983	1.3
83.04874	1.1
83.68738	0.7
84.04429	10.2
84.08065	3.1
85.02830	16.8
86.09620	2.0
88.07504	0.7
89.03815	4.2
91.05393	1.2
92.10847	1.1
93.06940	1.6
95.04885	0.9
95.08533	0.8
97.02803	4.4
97.07565	1.3
97.12084	0.7
98.97533	1.0
99.04382	13.1
102.05391	1.0
103.03877	17.8
109.02851	5.7
110.07105	1.5
114.10250	14.0
115.08646	1.1
116.01611	1.4
116.98543	1.3
117.03326	25.2
119.04881	1.6
119.43452	0.8
120.08018	1.0
127.03875	16.2
130.04980	1.5
130.06491	1.5
131.12874	4.7
133.02863	1.4
134.03580	1.2
134.99635	0.9
135.04376	3.9
137.05893	2.8
142.03162	0.8
145.02824	86.8
145.04866	4.2
147.04404	8.1
149.05949	9.5
157.10834	1.2
158.05980	1.6
162.02180	1.2
163.03851	1.7
177.05435	100.0
188.06848	0.8
200.80438	0.8
230.09641	0.8
233.05893	1.0
243.01846	1.1
247.14549	1.1
261.02802	1.6
268.55344	0.8
279.14453	0.8
290.15042	3.6
301.97501	1.0
307.17572	39.0
308.09085	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.19
Annotation	Corrin
Peak:m/z	Relative Intensity
53.03886	2.8
54.49429	1.6
54.81956	1.5
55.01806	25.6
55.05449	88.7
56.96495	2.3
57.03101	4.0
57.03371	100.0
59.04937	2.3
64.33599	1.7
67.05425	60.0
69.03338	7.5
69.06997	17.9
69.65998	1.8
79.05405	98.8
81.03330	9.5
81.06969	46.3
81.47898	1.9
83.04888	11.4
83.08540	23.2
85.06501	1.7
91.05398	40.3
93.06969	29.8
95.04884	13.0
95.08501	10.3
97.06444	2.3
97.10089	38.0
105.06961	27.1
107.04888	59.4
107.08530	47.5
107.09206	3.1
109.06461	16.8
109.10101	15.7
111.08045	4.5
113.60624	1.9
115.05412	4.2
117.06958	30.6
119.08545	13.5
121.06456	9.6
123.08053	4.2
125.09577	19.8
128.06175	1.9
129.06960	9.1
131.04869	3.7
131.08516	12.9
135.08023	40.2
137.05951	2.9
137.09595	3.9
141.06989	4.0
144.05647	2.7
145.06453	10.4
145.10088	8.7
147.08023	8.4
153.09077	10.2
155.08479	2.9
157.09961	2.1
159.08009	48.9
159.09210	2.7
160.08830	3.1
161.09566	3.9
163.07498	16.5
171.11610	2.2
173.09570	4.2
173.13098	3.1
177.09084	8.3
187.14828	3.0
189.11191	4.6
204.19807	1.9
215.14272	8.7
217.70544	2.4
232.14392	2.1
233.15274	17.4
243.17398	2.9
253.15747	3.1
261.02914	4.1
271.16888	26.3
289.17932	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82009	5.8
53.36890	5.7
55.05437	43.7
57.03385	53.5
57.07010	14.1
67.05431	75.0
69.06973	28.8
79.05413	53.2
81.06976	77.3
83.08555	9.5
85.06467	11.5
89.20281	6.1
90.11929	6.7
91.05404	69.9
93.06983	54.3
95.04890	12.5
95.08536	43.6
99.04359	12.8
105.06968	43.3
107.04894	7.3
107.08514	34.2
109.06467	8.9
109.10072	12.3
111.22974	6.2
117.06978	27.9
119.08523	37.5
120.97414	6.8
127.03873	7.8
131.08534	11.3
133.10088	11.9
135.11652	9.7
137.05959	77.7
138.06296	46.4
145.10159	13.2
160.48314	6.7
162.83730	7.1
182.46404	6.5
191.32497	8.4
195.11417	69.2
219.17430	100.0
246.30209	7.4
275.20026	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	307.2628
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03892	3.9
55.01813	2.8
55.05447	26.3
57.07000	9.2
65.03864	2.4
66.50069	1.9
67.05421	45.5
69.06984	56.0
69.64306	2.1
71.04897	11.5
76.56717	1.8
79.05399	20.6
81.06976	100.0
83.04881	12.5
83.08523	11.4
85.06467	2.3
86.33186	2.1
91.05385	9.1
93.06968	43.1
95.04893	44.8
95.08529	75.8
97.06475	11.7
97.10074	8.3
101.05913	3.8
105.06965	20.1
107.08538	37.2
109.06453	4.1
109.10102	54.0
111.08038	3.0
119.08525	11.6
121.10108	19.5
123.08034	5.1
123.11662	29.9
125.09597	2.4
127.07497	18.3
133.10106	3.8
135.11647	11.2
137.13263	14.5
139.11104	2.4
145.10141	2.5
149.13206	4.8
159.11588	2.3
175.14745	3.6
289.25122	5.1
302.89716	2.2
307.26367	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	307.2627
Annotation	Crinitol
Peak:m/z	Relative Intensity
50.41009	1.2
54.82601	1.4
55.01799	2.3
55.05440	7.9
55.05769	1.0
57.07018	2.0
60.32890	1.3
61.48386	1.3
65.03864	1.3
67.05420	11.7
69.06976	19.8
71.04896	1.4
71.08497	1.6
71.19562	1.2
73.87435	1.3
79.05403	7.4
81.06971	25.4
83.08540	5.7
85.06453	2.9
91.05393	7.6
93.06978	19.4
95.04889	100.0
95.08513	11.0
97.10091	1.7
105.06940	7.4
107.08531	7.6
109.06477	18.9
109.10097	8.1
111.08012	9.5
114.38734	1.3
119.08499	5.5
121.10075	1.6
123.11662	6.3
127.07513	2.3
131.82611	1.5
135.11638	2.8
147.11641	2.0
149.13254	1.7
151.48071	1.4
202.91856	1.7
222.72385	1.6
289.25330	2.0
307.26303	5.8
309.64651	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	307.2627
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03875	4.6
55.01807	5.7
55.05445	20.9
57.03362	1.4
57.07002	5.6
67.05421	12.6
69.03332	1.5
69.06602	1.2
69.06988	33.1
71.08546	1.3
79.05412	7.8
81.03311	0.9
81.06972	34.7
83.04907	4.1
83.08544	12.0
85.06473	1.6
85.19500	1.0
91.05406	22.4
92.10316	1.3
93.06970	100.0
94.07350	1.3
95.04890	47.7
95.08525	23.6
97.06439	5.1
97.10112	4.0
105.06971	9.0
107.08535	16.4
109.06462	8.0
109.10124	12.1
111.08045	9.1
111.82320	1.2
119.08533	5.6
121.06451	5.9
121.10097	12.0
123.08027	1.9
123.11657	7.6
125.09599	1.7
131.08504	1.5
133.10060	1.8
135.11668	6.3
139.11110	1.4
145.10051	2.6
149.13232	5.6
159.11601	1.6
161.13197	1.6
162.49205	1.2
209.18800	1.3
215.17975	1.6
271.24185	1.8
289.25256	4.9
307.26184	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	307.2628
Annotation	Crinitol
Peak:m/z	Relative Intensity
52.68927	0.3
53.03864	0.4
54.81853	0.4
55.01797	0.7
55.05447	7.4
57.06999	1.9
65.03853	2.3
65.38361	0.4
67.05421	10.4
69.03330	0.9
69.06983	13.3
71.04882	0.5
79.05393	4.3
79.73592	0.4
81.06970	15.7
83.04902	1.0
83.08524	3.6
85.06470	2.3
91.05400	3.8
92.10318	0.6
93.06974	12.2
95.04891	100.0
95.08532	12.2
96.05227	0.4
97.06461	4.8
97.10084	0.7
105.06976	4.9
107.08526	6.4
109.06451	4.0
109.10085	7.1
111.08018	1.9
119.08531	3.0
121.06412	0.5
121.10116	3.8
123.08002	1.0
123.11669	3.7
125.09605	0.5
133.10057	0.7
135.11688	1.2
137.13206	0.8
147.11668	1.1
149.13271	0.8
161.48238	0.5
165.12758	0.6
177.09499	0.5
271.23947	0.6
289.25171	1.2
307.26224	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	307.2631
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03919	2.9
53.41995	3.0
54.75685	3.6
55.01825	4.4
55.05452	66.0
56.96494	8.1
57.03374	6.6
57.07010	23.4
59.01878	3.4
67.05421	40.2
69.06986	64.5
71.08552	3.5
79.05421	32.7
81.06969	100.0
83.08537	49.2
85.06448	7.2
91.05408	16.8
93.06969	55.1
95.04901	49.7
95.08538	72.4
97.10083	29.6
104.10682	4.1
105.06945	14.5
107.08534	60.3
109.06486	14.1
109.10101	51.4
111.08012	14.0
116.98527	4.4
117.53140	3.6
119.01878	4.0
119.08550	12.1
121.10130	31.5
123.11675	36.4
124.99998	4.2
125.09572	6.7
135.07993	6.4
135.11664	17.3
137.05962	45.1
137.13179	6.1
138.06297	47.3
138.52875	3.7
139.06471	19.6
140.06694	3.9
145.10071	5.0
149.13242	25.1
156.29175	3.8
163.11195	3.6
169.91931	3.3
177.00737	5.0
187.14709	3.6
189.11122	6.1
219.01892	7.4
261.03000	23.8
261.25690	4.8
262.03192	5.5
289.17853	19.1
289.25177	14.0
307.25977	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	307.2631
Annotation	Crinitol
Peak:m/z	Relative Intensity
55.01816	5.6
55.05460	37.7
56.96486	22.9
57.07008	12.1
57.93092	5.6
59.04920	5.5
60.08134	4.6
63.44261	5.0
63.50969	4.3
67.05433	39.9
69.03333	6.9
69.06985	54.2
71.04858	6.6
71.08527	6.3
76.02136	9.4
79.05398	32.2
81.06969	65.8
82.60467	4.9
83.08511	9.2
84.04401	8.1
86.09624	21.2
91.05424	8.1
93.06969	56.9
95.04894	100.0
95.08556	46.8
107.08524	35.1
108.49200	5.0
109.06441	29.3
109.10110	37.2
111.08016	7.7
119.08514	9.2
121.10079	26.6
123.11584	8.5
124.99981	6.5
134.99577	5.8
137.13242	7.9
149.13275	8.2
177.00955	6.1
184.07298	10.9
194.90785	5.4
219.01846	7.8
261.02844	11.7
289.25290	5.8
307.18771	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	308.0909
Annotation	Glutathione
Peak:m/z	Relative Intensity
53.40793	0.5
54.10573	0.4
54.82001	0.4
56.04978	1.9
57.59462	0.4
58.99523	20.1
65.60037	0.4
69.03358	0.5
69.68891	0.5
76.02145	100.0
76.03897	3.6
80.04941	2.3
84.04433	56.6
86.90332	0.6
86.98974	5.7
88.02150	2.6
99.24471	0.5
102.05476	1.1
114.03728	1.2
116.01632	24.1
118.08608	6.6
119.08987	0.7
120.72724	0.5
130.04977	10.8
142.03203	12.1
144.01118	8.7
144.11435	0.7
162.00816	0.9
162.02176	20.5
162.03459	1.0
170.02702	2.2
179.02521	0.5
179.04822	19.8
179.06319	0.8
187.05415	1.0
194.32317	0.5
215.04958	0.6
216.05505	0.7
233.05835	6.5
245.05949	1.2
291.06430	0.9
308.09061	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	308.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03892	0.8
53.33823	0.8
55.01787	1.1
55.05452	24.8
56.04972	2.3
56.96492	2.0
57.03362	6.5
57.49148	0.8
58.99508	5.4
61.02852	2.4
63.90947	0.8
66.34283	0.8
69.03347	14.2
70.06510	43.6
71.01263	5.3
71.04893	1.9
72.72387	0.9
73.02825	1.8
76.02139	25.7
76.03912	1.6
81.03316	1.7
82.06052	1.8
82.06498	29.0
84.04434	21.3
84.08075	20.3
85.02824	17.6
86.02379	0.9
86.99010	1.5
87.63155	0.9
97.02825	6.0
98.97494	1.4
100.07550	90.2
102.05499	1.1
109.02815	2.4
110.05991	52.7
116.01653	7.4
116.98576	1.0
127.03905	1.2
128.07037	52.8
130.04968	4.2
130.08601	4.3
131.04443	1.0
142.03198	3.9
144.01202	1.3
146.08101	100.0
147.08342	1.1
152.96747	1.1
155.09172	1.1
161.01155	2.2
162.02165	5.3
179.04829	5.1
209.19806	1.1
233.05904	1.5
240.32756	1.0
317.25211	1.3
317.44836	1.0
324.75574	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2582
Annotation	Fingolimod
Peak:m/z	Relative Intensity
55.05442	20.7
55.54207	3.0
57.61579	2.9
58.50357	2.7
60.68120	2.8
64.32574	2.8
67.05418	17.8
68.75453	2.7
69.06982	19.8
71.04906	15.6
72.04429	92.4
79.05383	7.9
81.06966	28.8
87.90977	3.1
93.06966	23.0
95.08535	20.2
97.06409	5.2
100.07640	3.5
105.06976	5.7
107.08516	7.6
109.06456	8.2
109.10086	7.0
119.08500	4.9
121.10103	5.6
127.23550	3.2
128.10658	6.5
133.10097	4.3
137.09558	32.9
142.12294	4.1
165.12744	7.3
238.21579	25.3
263.19980	16.9
291.23068	19.5
308.25824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	16.7
57.07010	1.6
67.05414	7.2
69.06989	16.5
72.04430	100.0
76.43774	1.0
79.05399	1.3
81.06973	7.9
83.08537	6.5
86.48444	1.3
87.06783	1.2
95.08526	5.8
100.07533	1.5
109.10123	4.0
114.09105	7.0
128.10646	4.8
166.45593	1.2
225.67511	1.2
296.18088	1.2
308.29349	29.6
309.29678	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.9
53.16951	0.7
55.05454	17.2
57.07009	1.2
67.05431	7.6
69.06987	16.9
72.04431	100.0
79.05410	1.3
81.06965	8.4
81.86333	0.8
82.76865	0.8
83.08514	5.0
95.08511	6.7
97.10121	1.5
100.07544	1.8
104.33119	0.9
109.10095	1.5
114.09126	8.9
128.10660	5.7
137.10722	0.9
142.12247	3.8
168.13797	1.2
170.15306	1.0
198.18509	1.0
221.76996	0.9
229.45660	1.0
245.22508	1.0
308.29407	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	2.3
55.05455	72.8
57.07013	14.3
63.09264	1.7
63.68150	1.6
67.05422	26.9
69.06989	75.2
71.08541	7.2
72.04431	100.0
79.05407	7.1
81.06976	35.5
83.08540	35.5
85.33281	1.7
91.05396	3.8
92.10891	3.8
93.06960	8.5
95.08534	34.1
97.10104	15.6
100.07537	7.6
105.06988	4.2
107.08517	8.0
109.10097	12.9
114.09118	14.8
119.08517	2.4
123.11684	2.7
128.10654	11.2
133.10085	3.6
137.09517	1.8
142.12250	10.3
156.13857	3.1
168.13741	2.2
170.15395	4.0
170.71370	1.9
184.16991	2.8
244.78018	1.9
245.22438	2.3
254.67662	2.0
308.29434	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69626	1.0
53.98710	1.0
54.82236	1.1
55.05447	2.4
57.07008	1.6
59.19420	0.9
61.95431	0.9
67.05418	2.8
69.06996	10.8
69.72324	1.0
79.05392	2.4
81.06962	8.5
82.65890	1.1
83.08526	2.0
87.24155	1.1
89.03827	15.4
91.38835	1.2
92.10760	2.0
93.06979	5.3
95.04877	2.1
95.08532	2.8
97.06467	1.6
105.07011	1.9
107.08495	1.6
109.10073	1.4
110.10388	1.1
111.08044	1.7
117.03329	53.8
119.08595	1.4
134.03619	2.8
135.04355	6.5
145.02831	100.0
149.05949	17.9
155.11317	1.2
177.05437	88.8
186.05402	1.7
305.47391	1.2
328.34464	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60079	0.4
53.03891	4.2
55.01801	4.0
55.05228	0.7
55.05451	14.5
55.09236	0.5
56.96479	0.8
57.03143	0.5
57.03378	8.5
57.06994	0.7
59.04921	2.4
61.02568	0.6
61.02857	12.1
69.03347	23.1
69.06967	2.7
70.06495	1.0
71.04892	4.0
72.08066	0.5
73.02825	5.4
76.02138	1.1
79.05390	0.7
81.03342	7.5
81.06956	1.1
83.08535	21.1
84.04418	0.9
84.08080	1.0
85.02825	100.0
85.19743	0.6
86.09625	1.1
87.04384	1.2
88.03915	2.6
89.81067	0.6
91.03860	3.9
91.05399	1.4
92.10315	1.3
93.06934	0.6
96.04374	0.9
97.02816	21.7
98.97482	0.6
99.04360	3.9
101.09589	6.9
109.02839	6.8
115.03864	0.7
116.98546	0.6
117.03273	0.6
120.08062	0.8
127.03871	11.0
127.65770	0.6
131.08420	0.7
136.65883	0.6
145.02834	0.9
145.04935	12.1
163.05965	0.9
167.21661	0.6
172.63628	0.7
177.05458	2.3
304.31812	0.6
309.12836	2.4
309.16348	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.15284	6.6
52.31950	6.0
53.03883	6.2
55.01798	15.1
55.05452	93.1
57.03370	68.4
57.07023	7.1
67.05428	71.2
69.07003	8.8
71.16524	6.9
71.53059	6.3
79.05396	100.0
81.03358	8.0
81.06972	86.1
83.04898	8.5
83.08533	39.7
87.76764	6.3
91.05396	45.1
93.06960	56.9
95.04903	31.8
95.08534	29.6
96.67954	6.3
97.10106	32.0
100.28711	6.7
105.06966	44.5
107.04880	56.7
107.08545	36.4
109.06432	16.6
109.10098	12.9
117.06956	38.2
119.08547	17.6
121.06438	13.5
123.08009	15.3
125.09534	26.9
131.08533	15.8
132.17014	8.2
133.06552	9.4
137.09624	8.7
145.10095	29.5
147.08022	9.7
171.92459	8.6
219.13843	14.2
235.89499	7.8
240.10051	8.1
273.18323	33.0
291.19455	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	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.49719	4.2
53.03880	6.9
55.01808	31.7
55.05454	100.0
57.03378	69.3
63.09275	5.0
67.05421	77.0
69.03355	6.0
69.06973	20.0
71.04885	4.7
73.04184	4.2
79.05407	92.5
81.03310	5.7
81.06964	88.7
83.04933	8.5
83.08527	29.4
85.06448	10.5
85.14241	4.2
91.05399	60.7
93.06971	48.2
95.04914	19.5
95.08525	42.5
97.10117	42.1
103.05402	5.2
105.06958	65.3
107.04877	29.3
107.08546	29.6
109.06475	38.6
109.10110	9.9
111.08006	7.7
115.05383	6.8
117.06962	29.6
119.08527	37.4
121.06480	11.9
123.08007	40.4
125.09584	30.9
127.66943	5.0
129.06952	22.4
131.08537	21.5
133.10083	7.2
135.08012	27.7
135.11626	5.4
137.09589	5.9
143.08563	5.7
145.10121	22.9
147.08054	19.5
149.09604	7.7
159.08072	8.1
161.09584	11.2
163.80678	5.5
189.11220	11.8
217.15959	10.2
236.24854	4.8
263.79977	5.0
273.18423	30.3
291.19495	63.6
321.56158	5.3
328.19272	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	309.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	1.8
55.05426	4.5
57.03096	1.2
57.03373	27.2
57.06979	1.2
61.47911	1.0
65.03861	1.1
67.05427	17.0
69.03336	1.3
69.06978	5.5
71.04903	1.7
79.05403	11.4
81.06957	7.7
85.06467	26.0
91.05413	7.8
93.06960	7.9
94.04095	2.6
95.04900	23.1
95.08543	3.6
105.06959	2.0
107.04854	1.3
107.08511	5.6
109.06451	13.9
111.08054	1.5
113.05950	52.9
117.06965	2.1
119.08537	1.2
121.10071	1.3
122.03574	7.6
123.03935	9.1
124.04078	9.2
131.08546	1.2
135.08009	10.2
137.05946	70.9
138.06287	100.0
139.06471	79.9
140.06725	18.3
161.09602	2.2
172.95096	1.4
217.15884	1.6
243.04201	1.2
251.74884	1.1
273.18329	1.7
291.19510	22.9
293.97104	1.1
302.37408	1.3
319.89545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	(10E,12E)-9,14-Dioxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.00249	1.2
53.03880	2.2
55.01807	9.6
55.05454	26.7
56.96508	1.5
57.03380	1.6
57.07015	100.0
67.05432	25.1
69.03346	2.0
69.06986	9.0
70.03988	1.5
70.89000	1.0
71.04918	1.5
79.05405	24.2
81.03332	14.7
81.06973	19.3
83.04891	4.4
83.08533	7.3
85.06470	51.7
85.86814	1.2
91.05428	13.0
91.45908	1.2
93.06965	16.1
95.04900	19.2
95.08537	12.5
97.10113	4.6
98.97557	1.3
105.06968	9.2
107.04903	15.3
107.08550	9.9
109.06482	4.5
109.10095	10.1
111.08038	1.9
117.07005	8.5
119.08552	11.4
119.96667	1.4
121.06477	5.7
121.10085	1.9
123.04391	7.2
123.07991	1.9
125.09606	2.9
127.07504	5.3
129.06966	1.5
131.08485	1.6
133.10081	1.6
135.08002	5.0
135.11604	2.0
137.09590	29.9
143.08536	2.5
145.10114	6.9
147.08022	2.2
150.29030	1.2
153.09090	1.5
161.13271	1.6
163.11093	8.0
165.09106	7.3
165.10384	1.5
170.70607	1.3
171.11700	2.3
173.09578	1.7
179.10652	7.3
189.12837	2.2
207.13802	13.7
238.41626	1.1
245.19000	6.7
263.02719	1.7
273.15662	1.2
273.18283	8.6
291.16617	2.0
291.19534	29.8
316.62323	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2421
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
53.00249	1.4
55.01803	2.7
55.05219	1.7
55.05453	32.3
57.07008	9.9
59.40392	1.1
67.05426	28.3
67.65092	1.1
69.03347	1.9
69.06984	29.0
70.14307	1.1
71.04890	6.7
71.08543	24.8
72.04417	2.0
73.06466	1.4
74.44546	1.2
79.05415	20.8
81.06506	2.1
81.06971	48.3
83.04910	4.4
83.08529	12.8
85.06456	2.6
91.05405	11.7
92.10310	2.3
93.06976	34.1
95.04908	8.5
95.07953	2.1
95.08527	36.0
97.06461	13.5
97.10081	6.4
99.08032	9.2
105.06970	14.2
107.07973	1.5
107.08547	24.1
109.06456	14.3
109.10107	10.1
111.08025	2.4
116.20033	1.4
119.08538	10.9
121.10079	11.5
123.08012	2.5
123.11642	5.4
133.10078	7.3
135.11653	4.7
147.11674	2.5
149.13239	5.3
151.11139	1.8
153.12706	2.2
159.11678	1.3
161.13205	2.8
163.14896	2.0
165.12700	18.9
167.14197	1.5
175.14789	2.3
190.44586	1.3
193.15904	9.3
235.16959	2.4
270.98148	1.2
291.23080	21.5
309.24173	100.0
310.24625	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	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.00250	4.0
53.03887	6.5
55.01813	6.7
55.05216	2.3
55.05452	42.1
57.03365	10.1
57.07001	7.5
67.05073	3.5
67.05430	94.4
69.03362	2.4
69.06992	39.1
71.04919	3.1
71.08547	78.5
79.05410	76.5
81.03329	16.5
81.06976	83.0
83.04911	23.9
83.08537	12.2
85.06454	8.0
91.05396	46.9
91.60683	1.6
92.44738	1.6
93.06978	100.0
95.04898	23.6
95.07951	3.2
95.08531	56.6
97.06478	18.3
97.10117	7.8
99.08024	43.5
105.06976	31.1
105.32659	1.8
107.04894	10.3
107.08538	46.8
109.06475	8.2
109.10107	20.4
117.06981	7.1
119.08537	23.0
121.10098	38.7
123.07991	2.4
127.11145	2.0
131.08539	7.7
133.10089	18.0
135.11671	34.4
137.09599	3.3
139.11151	1.7
141.09102	2.4
143.08560	2.8
145.10094	3.0
147.11655	3.5
149.13197	4.2
151.11157	28.1
157.70430	1.7
159.11682	2.7
161.13223	8.8
163.11122	7.1
167.10570	2.5
174.06453	1.6
175.14827	2.6
179.14270	79.8
189.12625	1.9
221.15331	1.9
235.16869	3.3
254.73802	1.7
259.20456	2.0
277.21558	52.6
309.23999	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	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03891	24.4
53.04119	2.9
55.01804	12.0
55.05451	40.9
57.06993	4.2
59.04918	2.4
64.22929	2.4
67.05430	61.0
69.06990	44.5
70.62576	2.2
71.04928	2.6
71.08557	2.6
71.68929	2.6
79.05410	37.0
80.27915	2.5
81.03338	100.0
81.06973	59.4
83.04903	21.5
83.08524	5.8
88.86571	2.3
91.05401	30.2
93.06973	31.3
95.04912	39.1
95.08517	22.9
97.06464	4.2
97.10085	6.3
105.06992	24.5
107.08537	28.4
109.06453	12.3
109.10097	15.7
111.08015	3.9
119.08531	10.2
121.10152	4.3
125.09616	12.0
131.08588	2.6
133.10046	19.0
135.11603	5.6
147.11652	4.8
149.13239	5.6
151.11140	26.4
155.27278	2.8
161.13246	4.1
165.12701	5.0
231.21025	5.1
259.20505	3.6
277.21548	72.5
309.23822	3.7
309.98398	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2785
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.00229	1.4
53.03878	1.8
54.81882	1.5
54.96016	1.5
55.01812	6.3
55.05452	100.0
57.07006	18.1
59.04936	1.7
60.05171	1.3
67.05428	23.7
69.06608	3.5
69.06987	90.4
79.05408	18.1
81.06505	3.9
81.06975	99.8
83.04906	44.2
83.08537	40.8
91.05396	7.8
93.06969	26.3
95.04832	2.2
95.08535	66.7
97.06454	4.3
97.10114	12.6
102.79865	1.5
105.06985	16.7
107.08544	25.1
107.14264	1.6
109.06493	6.9
109.10100	36.2
111.08038	11.7
111.11674	2.9
118.21107	1.9
119.08514	15.2
121.10095	16.8
123.07994	3.1
123.11657	18.5
133.10071	7.2
135.11646	10.1
137.13223	15.4
139.11179	1.9
147.11676	7.2
149.13286	3.2
151.14728	2.3
151.35703	1.9
153.12788	2.0
161.13260	6.9
165.12723	3.6
193.19499	7.0
217.19432	2.7
227.42459	2.1
230.72775	1.9
273.25577	2.4
291.26776	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	25.6
56.78293	2.3
57.03387	3.5
57.07003	18.3
67.05424	35.5
69.06995	22.8
71.04892	6.2
73.06468	3.6
73.75479	2.9
73.78090	2.8
79.05404	14.9
81.06976	88.2
83.08517	7.5
85.06452	5.7
91.05398	6.2
92.10239	4.3
93.06963	23.0
95.04874	6.4
95.07955	5.7
95.08529	100.0
97.06487	3.0
97.10098	11.3
105.07004	4.9
107.08530	16.7
109.06413	5.7
109.10128	39.3
111.07990	5.2
119.08538	4.5
121.10066	3.8
123.11675	22.1
131.08569	3.7
135.11676	4.8
137.13261	21.3
145.75346	2.9
151.14745	6.1
170.05635	3.1
174.14268	3.1
189.37468	3.4
204.84457	3.0
291.19339	3.5
291.26755	7.5
309.20184	4.6
309.27487	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	309.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58765	8.2
55.01820	11.7
55.05445	47.8
57.07008	11.6
58.02891	9.0
62.23541	6.6
63.82459	7.1
66.98684	8.6
67.05428	55.2
69.06991	94.5
70.17044	7.7
71.04926	7.4
74.84002	7.4
79.05408	15.2
81.06983	100.0
82.26888	8.0
83.08540	30.6
91.05401	10.2
93.06971	39.8
95.08529	80.5
100.31776	7.5
102.46827	7.6
105.06973	9.3
107.08530	48.7
109.10111	33.3
111.08018	64.5
113.75987	8.0
121.10084	17.4
123.07841	7.9
123.11677	14.2
128.85434	7.2
163.14796	7.8
197.34906	8.2
222.69279	8.4
249.91512	7.8
278.14410	8.4
309.27707	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	310.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14101	0.7
53.17579	0.6
53.94601	0.6
55.01818	1.0
56.96505	1.9
57.03329	0.8
57.07005	2.0
60.04441	1.8
61.02858	1.7
65.03861	1.0
67.05428	19.1
69.03345	4.2
71.04914	4.6
73.02808	1.0
78.01710	1.0
81.03338	1.5
84.04420	1.4
85.02827	16.3
85.06465	9.0
86.05975	0.8
86.09563	0.9
95.04892	19.8
97.02848	5.0
99.04378	0.8
99.22784	0.7
109.02818	1.1
113.05952	100.0
116.98547	1.4
120.08077	7.5
131.07001	36.8
134.99547	1.6
136.06186	0.8
151.03874	1.8
152.04228	1.0
166.08592	1.6
261.52380	0.8
310.17426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.3102
Annotation	Oleoyl Ethyl Amide
Peak:m/z	Relative Intensity
55.05453	0.8
57.07016	5.8
70.06499	0.6
71.08548	1.5
72.08073	37.7
78.41684	0.6
89.20264	0.6
98.05959	1.3
126.09163	0.7
126.48996	0.6
128.10692	1.3
130.08586	0.7
130.20190	0.6
142.12299	2.4
156.13734	0.9
205.34062	0.6
257.82675	0.7
278.92374	0.6
308.14969	0.6
310.30991	100.0
311.31253	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	310.3103
Annotation	Hexadecanoylpyrrolidine
Peak:m/z	Relative Intensity
55.05450	7.6
57.07017	4.9
67.05410	0.8
69.06987	6.6
71.08544	0.8
72.04433	100.0
81.06994	0.7
82.76702	0.5
83.08527	2.7
83.99706	0.6
95.08542	0.7
97.06451	1.0
97.10083	2.2
100.07549	2.5
104.64077	0.6
114.09126	7.1
128.10661	3.9
128.93730	0.5
135.11633	0.5
142.12250	3.0
156.13803	1.1
244.00383	0.6
257.11212	0.5
289.64859	0.6
310.30981	46.1
311.31390	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	311.1234
Annotation	gamma-Glutamyltyrosine
Peak:m/z	Relative Intensity
56.04966	1.9
56.96494	2.2
57.03360	2.2
62.24768	1.5
67.05447	1.9
69.03342	2.6
70.06504	8.5
84.04430	100.0
84.04934	3.3
84.08052	2.8
85.02825	4.5
91.05417	21.3
93.90675	2.0
94.06488	2.0
95.04893	12.9
103.05383	4.1
107.04884	3.1
109.06460	1.7
117.05378	1.9
119.04895	52.6
119.05726	2.3
120.08056	58.6
121.06464	2.6
121.08392	8.8
123.04381	73.5
130.04970	9.4
132.08049	2.0
136.07558	99.9
138.05380	2.2
147.04382	28.5
161.07065	2.4
165.05450	60.6
166.08621	8.9
182.08119	33.7
189.05031	1.8
202.08574	10.4
248.09129	3.1
253.98230	1.9
272.99850	1.7
294.09686	4.5
311.12408	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	311.1271
Annotation	Harringtonolide
Peak:m/z	Relative Intensity
55.01804	2.5
56.04974	1.3
57.07007	2.4
64.33569	1.2
65.04325	1.1
66.94290	1.1
67.05417	3.0
70.06534	1.7
70.50736	1.1
71.07299	2.4
72.04433	18.8
73.02828	1.7
74.00577	4.8
74.02345	1.5
84.04424	18.4
85.06464	2.4
86.09615	1.9
87.06781	2.4
89.99596	1.1
90.05477	20.6
91.05376	1.2
92.01637	33.0
94.06483	2.3
95.04884	4.6
97.37727	1.1
98.02345	1.4
98.05992	1.7
100.03927	1.9
100.07536	34.9
101.07050	2.0
102.05507	6.5
110.02695	77.1
111.05480	1.5
113.05949	5.9
115.08651	6.0
116.09418	10.3
119.04865	2.4
122.05968	1.9
123.04362	2.1
126.07853	1.6
130.08612	1.7
131.07051	1.6
134.02676	73.9
136.07553	14.1
136.18181	1.1
136.56050	1.3
142.08591	9.1
147.04568	1.3
148.08447	1.4
150.05466	23.7
151.05826	1.8
152.03745	9.0
156.10201	3.0
157.10948	12.6
163.05322	9.7
164.03789	2.9
165.05414	2.9
168.06544	2.2
180.40544	1.2
181.06378	100.0
182.08112	2.6
184.09615	2.5
189.09976	2.0
191.04904	1.4
202.10738	1.3
213.12323	6.9
216.93619	1.2
247.10812	2.2
293.11560	28.6
311.08713	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	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.71210	11.3
53.33939	11.1
54.82061	14.9
55.05449	55.7
56.96508	21.5
57.03374	25.4
57.07003	31.5
67.05433	99.8
69.03335	19.4
69.06988	37.3
71.35374	13.3
76.31292	15.8
76.56734	17.9
76.57140	15.0
79.05404	63.3
81.06969	100.0
83.08504	14.4
91.05409	65.7
93.06973	86.5
95.04904	18.3
95.08521	61.6
97.06480	20.5
105.06946	68.0
107.08543	59.5
109.06456	26.6
109.10135	25.3
114.37802	14.8
117.07006	19.2
119.08504	53.7
121.10086	56.4
131.08508	24.9
133.10101	20.1
194.31987	17.7
209.11726	65.3
214.88370	14.3
237.11177	17.4
275.20023	31.9
293.21204	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.00235	4.0
53.03878	4.1
55.01814	11.7
55.05451	71.8
56.96471	0.9
57.03366	4.0
57.07012	100.0
59.04905	1.2
60.85645	0.9
63.62408	0.8
63.69101	0.8
65.03830	1.3
65.34787	1.1
67.05076	1.9
67.05424	51.3
69.03329	4.1
69.06993	13.1
69.07349	1.3
71.04897	5.2
74.47530	0.8
74.64304	1.0
75.04392	1.3
77.39454	1.0
79.04952	2.1
79.05405	53.2
81.03322	4.1
81.06971	51.1
83.04899	12.5
83.08537	24.4
85.06464	38.6
91.05402	27.7
93.06966	42.3
94.33491	0.9
95.04890	12.6
95.08531	14.7
97.06438	3.9
97.10092	34.6
98.97484	1.6
103.07506	4.4
105.06977	20.0
107.04906	19.4
107.08539	27.9
109.06458	2.4
109.10092	7.7
111.04379	2.2
111.08011	1.5
115.05333	1.2
115.34591	1.0
116.98586	1.5
117.06934	8.7
119.08553	10.6
121.06425	2.1
121.10098	18.6
123.08009	2.1
123.11668	2.2
125.09589	21.9
129.07007	2.0
131.08517	13.7
133.06493	1.0
133.10088	7.4
134.99593	2.3
135.08043	4.7
137.09572	6.3
138.04781	1.1
145.10172	7.1
147.07997	2.0
147.11659	9.9
149.09636	11.0
149.13278	1.9
151.11151	1.8
153.09085	1.6
159.11638	4.1
163.11093	4.6
165.12634	1.3
169.12117	1.1
171.10150	1.3
171.11552	1.3
173.13223	8.9
175.11139	5.5
187.11151	3.7
189.11223	14.4
190.85075	1.0
191.14301	9.3
207.67346	1.2
209.15265	1.3
229.19569	1.6
247.20560	1.9
257.18970	6.0
275.19989	64.2
293.21008	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	312.1301
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
54.00250	0.2
56.96481	0.3
57.03362	0.4
62.79952	0.2
63.00202	0.2
68.93604	0.2
69.03319	0.2
69.06974	0.9
70.06497	0.8
71.06030	0.5
71.88631	0.2
82.22513	0.2
84.04422	0.2
85.02839	0.3
97.06474	0.2
97.94930	0.2
106.20561	0.2
110.03475	7.1
115.07520	1.2
128.04491	1.6
135.02936	0.4
137.08182	2.8
142.80290	0.2
153.04044	3.7
162.07686	1.5
165.06424	0.5
178.07181	0.2
180.08763	100.0
181.09019	0.9
203.87991	0.2
237.79352	0.3
312.12985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76255	0.5
53.03874	1.6
54.81504	0.6
55.01806	3.8
57.03384	6.4
59.04921	1.2
61.02853	13.9
69.03352	19.4
69.06997	12.8
71.04902	3.5
73.02829	5.5
81.03337	9.7
85.02827	100.0
85.41779	0.7
87.04373	2.9
87.08032	12.3
91.03888	6.7
94.72863	0.7
97.02817	23.1
98.94848	0.7
99.04386	5.8
103.03895	0.8
105.09081	1.1
109.02850	6.9
115.07510	1.1
122.89845	0.7
127.03872	17.5
127.19099	0.7
133.08533	1.7
145.04933	25.7
163.05978	4.6
198.58421	0.8
278.01056	0.7
295.13925	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00047	2.0
54.03400	5.3
55.05450	45.0
55.99913	2.5
56.04966	13.3
56.96485	4.4
57.07006	11.0
65.03889	2.8
67.05085	2.2
67.05429	61.6
68.04949	39.2
68.62202	2.5
69.06986	36.6
69.52393	2.3
70.02870	3.0
71.08559	4.0
74.02371	7.9
79.05405	29.2
80.04932	100.0
81.06969	49.9
82.06512	19.8
83.08544	19.3
85.02784	2.4
91.05412	24.0
93.06979	27.9
95.04902	4.9
95.08531	38.5
97.10091	4.3
100.03889	13.5
105.06950	16.0
107.08523	6.1
109.06479	2.7
109.10081	11.3
112.03902	11.8
114.05483	3.0
116.98568	2.4
119.08503	12.1
121.10103	10.2
133.10078	9.2
161.01068	3.3
248.23761	26.1
250.25189	13.4
265.94751	2.5
294.24210	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	312.3259
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
51.62626	0.5
52.54509	0.5
55.05445	3.5
57.07016	25.3
64.47988	0.5
67.05437	0.5
69.06979	3.2
71.04884	2.1
71.08546	5.1
72.04421	0.9
74.05999	7.6
74.09646	0.6
81.06923	0.6
83.08532	2.7
85.10104	1.2
88.07559	20.1
97.10126	0.8
102.09115	13.1
105.34277	0.5
113.75450	0.6
116.10696	3.8
118.09187	0.6
130.12245	2.4
144.13831	1.0
256.26300	55.0
257.26584	0.7
286.77493	0.6
312.32553	100.0
313.32910	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	312.3256
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
53.00229	0.6
54.82214	0.7
55.05450	0.9
57.07009	11.3
57.35417	0.6
62.34703	0.6
65.77347	0.7
66.54682	0.6
69.06985	1.1
71.04910	0.9
71.08535	3.7
71.58117	0.6
72.04431	5.0
83.56483	0.6
85.10084	1.0
88.07581	0.6
92.10886	1.5
102.09108	3.9
116.10693	8.4
130.12219	2.9
144.13834	1.2
241.31502	0.7
302.91269	0.8
312.32550	100.0
313.32889	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	312.3257
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
55.05444	1.2
57.07007	14.1
58.06520	0.9
60.08084	4.5
64.33314	0.7
71.08534	5.1
72.04407	0.8
74.09627	49.4
79.81410	0.8
85.10094	1.3
92.10858	1.3
95.08533	1.1
100.07497	1.2
126.30799	1.0
130.12286	1.2
312.32590	100.0
312.36130	13.0
313.33014	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.3256
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
53.44118	0.4
54.39941	0.4
55.05431	0.5
57.07008	8.5
59.15959	0.5
62.59233	0.5
62.61438	0.4
63.86247	0.4
64.33657	0.4
64.87378	0.4
65.49923	0.4
71.08540	2.1
72.04420	6.2
93.27838	0.5
102.09115	3.7
104.07420	0.6
116.10675	6.1
130.12260	1.1
196.61407	0.5
245.82828	0.6
312.32529	100.0
313.32840	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	313.2007
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
53.03878	0.4
55.01810	7.0
55.05449	6.4
56.96495	0.3
57.03360	0.3
57.07003	0.7
66.90304	0.3
67.05428	8.4
69.03357	0.4
69.06994	6.5
69.30674	0.3
71.04897	0.6
71.08578	0.3
71.71672	0.3
74.13283	0.4
74.52992	0.3
79.05409	7.5
81.03339	0.4
81.06977	35.0
83.04887	3.1
83.08544	2.1
91.05411	3.4
92.10271	0.3
93.06969	6.6
95.04887	0.6
95.08536	7.2
97.06461	1.8
97.10085	1.2
105.06994	2.4
106.88533	0.3
107.04923	0.3
107.08549	4.4
109.06471	14.8
109.10104	3.0
111.04397	11.7
111.08029	0.6
111.67178	0.4
119.08534	3.9
121.06475	0.4
121.10101	4.5
123.08002	1.8
123.11657	0.7
125.05959	4.0
129.06921	0.4
131.08556	1.6
131.41704	0.3
133.10088	2.5
135.08026	1.6
135.11658	3.0
137.05957	100.0
137.09564	1.8
137.13274	0.6
138.06285	0.7
139.11084	0.4
141.33813	0.3
143.08514	1.1
143.71884	0.3
145.10118	1.2
147.08017	0.7
147.11646	4.2
149.09639	2.6
149.13216	0.6
151.07518	3.0
151.11153	0.7
152.20113	0.3
157.10095	1.2
159.08105	0.3
159.11639	0.5
161.01170	0.4
161.09579	3.8
161.13229	1.6
163.11156	2.5
163.14848	0.4
165.09074	2.1
167.10672	0.4
171.11688	0.7
173.13289	0.4
175.11150	3.1
175.14812	0.5
179.10654	0.7
181.12183	0.4
189.12770	0.6
191.54735	0.4
201.72719	0.3
203.17937	3.8
207.13785	0.4
213.16365	1.7
221.18974	0.6
231.17445	4.0
241.15933	0.5
249.18523	4.5
269.65091	0.3
277.17935	25.8
277.21179	1.3
295.19022	13.8
295.22348	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2372
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
53.03881	2.4
53.70488	1.1
55.01801	2.9
55.05452	38.0
57.03371	18.7
57.07001	2.4
62.24303	1.5
65.03867	1.3
67.05428	76.3
69.03352	2.5
69.06989	37.8
69.32458	1.1
71.04906	25.3
79.04951	2.5
79.05406	69.2
79.74305	1.2
81.06976	100.0
81.44759	1.2
83.04890	7.0
83.08536	15.2
85.06464	9.4
91.04892	2.2
91.05408	40.2
92.10195	1.4
93.06971	81.7
93.96633	1.4
95.04889	6.2
95.08532	74.8
97.06451	8.6
97.10084	6.6
98.97513	1.4
99.08015	5.9
104.94798	1.4
105.06971	35.6
107.07861	2.3
107.08538	49.6
109.06441	6.1
109.10114	19.3
111.08009	8.2
115.07509	3.3
117.06974	10.2
119.08526	26.1
121.10094	37.1
123.07977	6.4
123.11655	2.7
125.09572	2.9
129.06938	3.0
131.08524	17.4
133.10115	20.4
133.88988	1.4
135.11650	18.9
139.11163	2.0
143.08569	1.6
145.10083	14.0
147.11694	9.1
149.09525	1.5
149.13242	13.1
151.11118	2.4
157.10092	2.8
158.87047	1.4
159.11646	7.3
161.13199	2.4
163.11113	2.2
163.14848	1.7
165.12711	2.2
171.11571	3.1
173.13251	14.9
187.14764	6.9
189.16245	1.5
191.14345	2.8
195.13802	1.5
209.15379	3.2
223.16751	1.4
241.19424	5.5
259.20474	7.3
277.21588	27.2
278.21674	1.6
295.22458	2.0
297.25723	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81530	2.3
55.05450	18.0
57.03187	1.5
57.03375	24.0
57.06733	3.7
57.07011	100.0
58.01067	1.7
60.33426	1.5
67.05434	20.3
69.06980	14.3
71.04889	1.8
71.08546	49.0
72.08065	14.3
75.82519	1.6
79.05398	2.6
81.06982	27.6
83.08531	13.2
85.02833	9.4
85.10100	27.1
89.05921	2.1
93.06997	4.6
95.08545	31.7
96.69979	2.0
97.10105	4.3
98.04424	1.6
104.10678	7.0
109.10110	12.4
123.11774	2.5
149.54787	2.1
158.55325	1.7
181.35631	1.9
190.96254	2.9
192.92041	2.4
230.93506	3.2
234.92996	3.7
239.23584	2.4
304.97360	3.3
308.15994	1.9
313.27335	93.7
313.31079	3.0
314.27396	2.1
330.12949	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17385	1.9
52.46782	2.2
55.05455	18.7
57.03375	37.1
57.06736	3.6
57.07016	98.2
67.05428	20.5
69.06985	14.3
71.08546	54.2
73.44495	1.9
79.05422	5.0
81.06988	24.7
83.08536	15.5
85.10103	22.9
89.05933	2.1
92.10816	3.8
93.06985	5.0
93.20845	2.1
95.08541	30.3
97.10113	4.6
108.76617	1.9
109.10107	10.4
216.02620	2.0
227.71518	2.5
257.24649	2.7
270.36804	2.2
289.15460	2.3
313.23621	9.0
313.27271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50293	5.5
55.05448	11.1
57.03374	22.8
57.07017	100.0
67.05428	15.5
68.46429	6.1
68.83729	5.2
69.06996	16.2
71.08534	42.4
72.08064	7.1
76.56027	6.2
80.95582	6.5
81.06982	28.7
83.08546	12.7
84.71724	6.7
85.10113	27.2
93.06946	10.8
95.08527	36.6
95.95856	5.8
97.10117	9.1
104.10673	10.9
105.97964	7.5
109.10129	11.5
112.34140	6.5
126.06337	6.8
127.63123	5.6
140.09425	6.3
178.85085	6.6
257.24738	7.3
313.27353	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	100.0
57.07013	25.6
67.05428	49.0
69.06983	84.9
71.08557	7.3
79.05399	20.3
81.06978	73.2
83.08537	52.9
85.06503	4.2
91.05402	20.1
93.06999	27.8
95.08546	64.3
97.06440	5.1
97.10102	35.4
100.94084	3.4
103.73119	3.4
105.06979	16.0
107.08524	21.0
109.10135	32.9
111.11662	6.3
112.18843	3.1
119.08549	7.7
121.10074	21.5
123.11654	7.5
133.10115	5.3
135.11624	8.6
147.11714	5.2
149.13246	6.7
181.09482	3.9
191.07149	3.4
245.22484	5.9
263.23590	7.2
281.24646	5.1
312.32394	22.8
312.35721	3.9
313.32874	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52100	0.4
55.05441	0.8
56.96499	2.7
61.01073	0.9
65.51026	0.5
69.03354	2.5
70.06515	4.3
72.08083	0.8
81.52921	0.5
84.04440	2.9
84.08048	1.3
85.02822	1.4
86.09633	1.3
87.06463	0.6
97.02826	33.2
98.97546	0.9
105.60773	0.6
110.07164	0.6
116.98550	3.0
120.08018	0.9
134.99649	2.5
136.06169	100.0
137.04604	0.8
151.42221	0.6
158.12228	0.6
164.05643	3.7
178.07210	1.0
296.08182	1.0
314.09216	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	314.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01068	0.4
64.33363	0.4
68.12363	0.3
69.03350	1.6
84.29482	0.4
88.19481	0.4
89.05965	0.4
92.10352	0.3
97.02821	33.2
129.69020	0.4
136.06161	100.0
137.04559	1.5
137.30864	0.3
143.01590	0.6
149.90416	0.4
164.05653	3.9
178.07236	1.6
179.03601	0.4
213.12613	0.3
273.77625	0.4
296.08020	0.8
314.09113	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	314.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01794	1.9
55.05452	2.2
56.96499	6.8
57.03361	4.9
67.05427	1.1
68.04942	0.9
69.03350	4.0
70.06507	7.5
72.08060	2.5
73.02820	1.2
79.05419	1.3
81.06999	1.2
83.04895	1.8
84.04413	2.1
84.08057	2.5
85.02819	4.2
86.09608	4.2
91.05390	1.1
93.06963	1.0
97.02818	4.5
98.97492	4.3
105.06970	1.6
110.07130	2.0
116.98570	4.0
119.04893	1.1
121.06541	1.0
134.04576	11.8
134.99628	5.0
136.06192	3.9
151.03822	7.0
152.04044	1.1
152.05588	1.9
152.07042	1.3
165.02310	4.7
167.02661	1.1
177.00731	1.3
182.04919	100.0
189.12784	1.1
213.14682	1.0
237.02522	1.2
244.74135	1.2
314.08954	9.5
314.12381	1.2
314.16071	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	314.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	0.9
55.01802	0.6
56.96489	0.8
57.03360	1.4
61.02845	3.4
63.35958	0.5
69.03348	8.0
70.06500	5.0
71.04509	0.8
71.04908	22.6
73.02834	1.0
78.17085	0.5
81.03334	3.3
84.04424	3.3
84.08082	0.5
85.02827	25.4
89.05952	100.0
89.98692	0.6
97.02824	9.5
99.04384	3.2
109.02806	2.5
116.98563	0.6
127.03879	3.6
135.06493	19.0
136.06160	11.3
145.04909	1.3
161.01213	1.1
237.02614	0.7
258.29752	0.6
268.11472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00252	0.6
53.22079	0.6
55.05457	8.4
57.06741	0.7
57.07014	19.8
57.20650	0.5
57.82849	0.6
58.06532	5.2
59.07297	1.3
59.92707	0.5
60.08086	2.3
61.68774	0.5
62.06012	5.0
67.05418	4.1
69.06986	8.3
71.08549	7.7
72.08054	2.8
79.05396	1.1
81.06970	3.6
83.08537	4.3
85.10104	0.8
86.09648	5.9
93.06952	0.9
95.01730	0.6
95.08527	1.3
100.07526	0.8
104.09991	1.2
104.10680	32.2
105.11013	2.4
109.10103	2.4
112.78030	0.6
117.12531	0.5
119.34050	0.6
121.03357	0.5
121.53556	0.7
122.59865	0.6
124.99924	2.4
130.54074	10.6
131.04134	2.9
131.53943	2.6
133.03409	1.4
139.54630	0.7
142.04860	0.8
149.54866	6.6
150.04961	1.3
156.17430	3.1
156.97433	3.9
158.55363	14.7
158.97083	0.6
159.05414	3.0
159.55273	3.0
160.00389	0.6
170.06198	1.1
174.18495	9.2
174.98512	5.0
175.98492	0.9
181.02501	0.6
182.99007	2.4
184.07278	3.1
184.20541	2.2
201.00055	5.0
202.21609	7.5
216.74214	0.6
239.01733	2.0
239.67113	0.6
240.09987	1.2
242.06384	2.2
243.48492	0.6
272.66354	0.9
280.07928	3.3
290.67459	1.2
296.29501	0.8
298.08942	1.1
314.34097	100.0
315.34552	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	314.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00228	1.8
57.07016	28.3
57.74380	1.4
57.74677	1.9
58.06517	3.0
62.06009	11.3
71.08547	13.1
83.60256	1.5
85.10087	3.0
100.99696	1.6
121.43532	2.1
144.05150	1.7
189.27892	1.8
258.80447	1.7
269.09995	1.7
286.30872	5.9
296.33081	7.9
314.30740	4.4
314.34085	100.0
315.34744	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	315.105
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
51.74454	1.0
56.96497	5.2
57.03356	1.4
58.13943	1.1
60.55988	1.1
61.02847	1.9
62.34174	1.2
66.05837	1.4
69.03337	6.9
70.06519	2.1
72.08056	1.9
75.97021	1.2
79.05430	2.3
84.08068	1.5
85.02820	17.2
93.37057	1.3
97.02849	2.9
98.97507	7.5
107.04891	6.2
113.76670	1.2
116.98573	8.6
117.67610	1.3
127.03867	1.6
134.99611	10.8
135.04349	2.8
138.04608	1.5
149.13242	1.5
151.06125	3.2
153.05185	1.7
175.55405	1.5
175.98375	1.3
185.04315	2.1
201.00743	1.4
274.97534	2.3
292.98517	2.9
315.10443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03362	1.5
53.88936	1.6
54.81801	2.7
56.96495	12.0
59.26336	1.6
67.39507	2.0
70.06503	12.5
72.08067	8.9
73.98714	1.9
75.96041	2.2
91.62225	2.2
97.03940	4.1
98.07169	2.4
98.97509	18.9
116.98579	24.8
122.05972	21.8
123.06619	8.5
124.05018	15.9
126.06606	19.6
127.05004	11.7
134.99608	27.1
137.52109	2.3
151.06129	100.0
153.00684	7.9
166.07249	9.3
177.04070	3.3
194.06696	50.9
250.97330	3.1
268.94080	2.1
274.97470	14.2
292.98514	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	315.2528
Annotation	9,10-DHOME
Peak:m/z	Relative Intensity
51.75444	2.5
55.05456	28.4
57.07003	18.7
60.04455	57.5
67.05430	100.0
68.96965	3.0
69.06976	23.4
70.07379	3.3
71.08530	31.2
72.78675	3.0
79.05400	28.5
80.15025	3.5
81.06979	95.7
83.08531	19.0
85.10114	24.5
87.72800	4.0
91.01264	3.3
91.05408	17.3
93.06976	20.1
95.08530	88.3
97.06477	3.4
97.10116	3.9
98.97508	4.4
99.08025	13.5
101.36266	3.4
103.36348	3.3
105.06975	18.1
107.08531	20.8
109.10120	26.1
113.09586	22.7
116.98605	3.7
119.08540	6.1
121.10089	17.6
123.11651	4.7
131.08492	4.6
133.10095	6.9
135.11627	3.8
147.11627	13.2
149.13274	6.5
273.12726	3.7
279.23093	39.4
316.28143	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	315.2528
Annotation	9,10-DHOME
Peak:m/z	Relative Intensity
54.81539	1.0
55.01812	1.9
55.05223	1.6
55.05452	30.6
56.05019	1.0
57.03368	2.2
57.07004	4.9
60.38889	0.9
67.05429	88.0
69.06642	1.8
69.06986	28.8
71.04914	8.4
79.05407	29.6
81.06976	100.0
83.04872	1.6
83.08532	10.8
85.06474	8.3
89.15732	1.0
91.05424	12.7
93.06978	32.2
95.04909	1.7
95.08536	77.3
96.69379	1.0
97.06440	4.8
97.10083	6.3
105.06976	8.9
107.08533	14.1
109.10106	35.9
117.06991	2.6
118.65992	1.1
119.08537	8.1
121.10106	15.2
123.11667	10.9
125.09589	1.9
131.08528	5.2
133.10072	5.7
135.11674	9.6
137.13210	2.2
145.10072	4.8
147.11667	4.5
149.13205	3.9
153.45709	1.0
161.13249	5.9
173.11705	4.4
173.13156	1.3
177.16376	1.1
179.14293	1.5
218.27608	1.1
225.28455	1.0
243.20953	4.4
244.70810	1.2
261.22083	8.3
279.23126	19.4
297.24063	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	316.2846
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05455	6.6
56.04971	5.0
57.03383	1.2
57.03661	0.5
57.07001	3.1
59.39043	0.7
60.04457	100.0
60.92522	0.6
67.05427	9.0
69.06985	5.7
72.04446	1.2
74.05984	1.5
79.05396	5.3
80.04925	1.3
81.06969	8.3
82.06512	1.0
83.08545	4.6
91.05421	3.2
93.06969	4.4
94.06504	0.7
95.08522	7.1
96.08063	0.9
103.40422	0.6
105.06950	1.2
107.08544	1.5
109.10114	1.6
119.08495	0.8
121.10086	1.3
126.05677	0.8
131.38080	0.7
180.29897	0.7
189.07098	0.8
250.25267	0.7
262.25137	1.0
280.26340	7.0
298.27393	7.9
316.28400	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2843
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
52.33000	0.8
55.05445	7.7
56.04965	5.4
57.03378	0.8
57.07000	3.7
60.04454	100.0
62.68720	0.7
67.05428	11.8
68.05756	0.7
69.06651	0.9
69.06973	7.7
70.06514	0.9
71.08547	1.2
71.80858	0.7
72.04424	1.5
79.05415	6.3
80.04929	1.0
81.06967	14.5
82.06479	1.3
83.08520	4.4
87.04376	0.8
91.05393	2.9
93.06960	5.2
94.06538	0.9
95.04923	1.0
95.08524	8.5
97.06421	0.9
97.10122	1.1
99.07967	1.2
105.06960	1.2
107.08527	3.3
109.10065	3.5
113.09595	1.1
121.10053	0.9
280.23508	1.1
280.26321	7.6
298.27274	3.7
316.28381	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	316.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05799	0.7
51.97200	0.7
53.23730	0.8
57.07016	28.0
59.75099	0.7
62.67229	0.7
69.06983	0.8
70.06508	28.9
71.08546	14.5
83.08522	0.8
85.10110	6.3
88.07558	46.3
92.00019	0.9
92.10331	0.9
92.64612	0.9
96.54180	0.8
106.08618	46.0
217.70097	0.9
316.32050	100.0
316.55289	0.9
317.32449	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63621	0.5
51.84808	0.5
52.64101	0.5
55.05441	0.6
57.06737	0.8
57.07011	21.3
60.04441	0.7
61.57268	0.7
62.06015	0.6
62.82405	0.5
64.33700	0.6
69.06965	0.6
70.06512	24.5
70.34142	0.6
71.08549	7.8
77.94784	0.6
85.10101	3.0
88.07552	32.2
102.09126	5.7
106.08618	19.9
193.34779	0.7
250.23343	0.7
251.50381	0.6
288.61053	0.6
298.30951	8.4
316.32037	100.0
317.32260	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	317.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48236	0.8
57.78333	0.9
70.06504	2.3
77.15059	1.0
84.04449	1.2
85.02826	1.8
86.09624	1.8
97.02821	1.0
98.97495	1.5
116.07036	1.9
134.99646	1.3
155.06830	10.0
160.95224	1.1
185.04218	10.3
203.05255	6.7
317.12015	100.0
328.19785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	6.5
56.04976	4.7
56.05767	2.5
56.96510	0.6
57.03361	0.7
57.05294	0.6
57.06997	2.5
58.19678	0.5
60.04455	100.0
61.04151	0.9
61.04792	9.4
62.89143	0.5
64.33762	0.6
67.05427	11.0
68.04948	0.8
68.05750	2.4
69.06986	6.6
70.06507	0.9
70.07315	0.6
72.04404	1.0
72.95341	0.6
74.05984	2.5
79.05403	4.2
80.04955	0.7
80.05712	1.1
81.06968	8.5
82.06499	1.2
82.07299	1.6
83.08540	3.2
91.05396	2.5
92.05727	0.7
93.06956	3.0
94.06464	0.8
95.04864	0.6
95.08535	6.4
96.08071	0.6
96.08875	2.5
97.10084	0.7
98.97511	1.3
105.06973	0.6
106.07317	0.7
107.08504	0.9
109.10084	1.0
119.08581	1.1
123.99677	0.6
237.47852	0.7
263.25531	0.9
278.50836	0.6
280.26266	2.3
281.26572	6.2
298.27328	3.3
299.27676	8.1
316.28366	7.6
317.28751	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	318.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15541	1.1
54.81784	1.3
56.96502	21.4
67.05392	1.6
69.06984	7.1
70.06499	3.6
72.08060	7.5
75.05467	1.6
76.18802	1.3
81.80038	1.8
83.97560	9.1
84.04427	11.2
84.08070	2.1
86.09623	41.0
88.03917	2.0
101.98611	2.1
119.99732	1.9
128.00148	2.4
128.10681	1.9
139.34496	1.5
141.06621	1.8
141.10168	2.1
146.01221	30.3
150.97263	1.6
153.05486	2.1
155.99608	6.0
156.10135	2.2
164.02263	100.0
164.03661	3.5
166.37943	1.5
174.00717	21.2
174.04257	1.6
182.03310	56.5
192.01868	12.4
201.12402	11.6
218.06949	29.5
220.01263	2.7
222.06242	1.9
228.05397	17.9
236.07948	15.0
246.06389	7.9
258.06409	12.9
276.07486	85.5
277.07724	2.1
294.08591	16.7
337.43442	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1811
Annotation	H-Trp-Leu-OH
Peak:m/z	Relative Intensity
51.86764	0.5
55.01810	1.2
55.05445	3.5
56.96484	0.8
64.22868	0.7
67.05432	0.8
69.06976	4.4
70.02865	0.7
70.06509	1.5
74.02337	6.9
79.05365	0.8
81.06979	1.0
84.08051	1.5
86.09623	57.5
87.09946	0.8
91.05415	1.0
93.06922	0.6
95.08571	0.9
96.08076	1.0
98.97522	0.6
104.11969	0.7
105.06973	1.0
107.08546	0.7
110.05931	0.9
112.07533	1.2
113.10696	1.5
115.05387	4.4
116.98601	1.1
117.05712	5.1
117.06950	3.2
118.06490	9.0
127.91058	0.7
130.06500	26.6
130.08601	3.2
131.06955	0.8
132.08054	70.9
141.10199	1.5
142.06494	11.5
143.07260	1.2
144.08063	43.4
146.05984	26.7
155.05960	0.7
158.08424	1.3
159.09143	100.0
160.07542	8.1
160.09494	1.7
170.05972	23.8
187.08527	1.4
188.07028	36.4
193.56339	0.7
205.09705	14.5
246.14970	0.9
273.15961	3.6
301.15396	26.1
309.18814	1.4
318.18015	10.8
318.26157	0.7
326.13879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1812
Annotation	H-Trp-Leu-OH
Peak:m/z	Relative Intensity
51.01721	0.9
53.03883	0.7
55.05455	2.1
55.89807	0.8
56.96497	4.6
67.05435	1.5
69.03331	1.2
69.06996	3.4
70.06513	2.1
74.02343	5.6
74.25704	1.1
77.03820	0.8
77.55427	0.9
79.05396	1.4
81.06985	1.0
81.71887	0.8
82.06474	1.0
83.04912	0.9
84.04459	1.0
86.09625	10.2
88.75623	0.8
91.05410	3.9
93.06979	1.6
95.04889	3.7
95.08523	1.3
98.97512	2.2
105.06979	1.4
107.08507	1.9
113.10688	1.2
115.05381	6.7
116.98585	1.0
117.05733	7.2
117.06993	3.9
118.06465	1.4
121.06460	1.4
123.07947	1.1
130.05603	1.7
130.06500	29.8
130.08597	1.5
132.08058	76.9
134.99626	1.6
141.10178	1.4
142.06464	10.1
144.08070	48.5
146.06047	1.2
149.05945	17.6
151.03889	16.7
151.05020	2.0
153.06975	1.4
159.09154	100.0
160.07545	8.1
160.09421	0.9
170.05989	22.9
177.05457	13.1
181.06384	1.7
190.72845	0.9
246.63983	1.4
301.15411	33.2
318.17911	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	318.1811
Annotation	H-ILE-TRP-OH
Peak:m/z	Relative Intensity
50.04219	0.3
54.94766	0.3
55.05436	0.4
56.04985	0.3
57.05754	0.4
67.05418	0.3
67.71955	0.3
69.06989	18.1
70.06475	0.4
70.07270	0.3
76.85933	0.3
81.06963	0.5
83.59833	0.3
84.04417	0.4
85.02834	0.3
86.09628	100.0
87.09965	1.2
92.10970	0.6
93.06982	0.5
97.06482	0.3
98.97559	0.3
105.06923	0.4
113.10699	0.3
115.05415	0.4
116.98572	0.4
117.06991	0.5
118.06480	5.7
130.06512	2.4
132.08055	3.0
141.10207	1.5
144.08054	4.9
146.05988	29.9
147.06334	0.4
159.09142	4.6
170.05969	2.1
177.05403	0.4
188.07031	43.7
189.07332	0.5
193.08551	0.6
205.09692	18.9
211.09747	1.3
213.96973	0.3
263.69382	0.3
318.18042	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	318.2789
Annotation	L 657398
Peak:m/z	Relative Intensity
51.62635	0.4
52.62703	0.3
55.05438	0.6
57.06999	2.0
58.14313	0.4
59.90642	0.4
60.04449	3.8
65.03867	1.7
69.06989	0.5
70.06509	0.8
71.08549	0.9
81.06960	0.6
84.04426	0.4
85.10110	0.4
85.73279	0.4
88.07564	0.6
89.94007	0.4
91.05407	100.0
95.08524	0.7
96.07834	0.5
117.96555	0.5
127.19873	0.4
150.94536	2.0
187.77985	0.5
256.26279	0.6
307.10583	0.5
318.27701	18.6
320.67630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2998
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
57.07010	20.8
58.06524	3.2
67.48431	0.8
70.06507	34.5
71.08543	8.0
81.40648	0.9
85.10123	1.1
88.07551	42.8
102.09114	24.6
114.02503	0.7
146.11740	1.0
150.11232	1.0
169.49321	0.9
256.26294	68.6
273.55984	0.8
294.19424	0.9
296.31546	1.0
300.28870	5.4
318.29953	100.0
319.30267	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	318.2998
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
56.04980	0.8
57.07014	17.6
57.37401	0.7
60.04453	5.0
69.06976	0.8
70.06138	1.3
70.06507	33.2
71.08540	8.0
84.08058	3.1
84.28696	0.7
85.10118	0.9
86.09651	1.3
88.07553	31.9
88.08096	1.0
102.09107	1.5
106.08603	3.3
111.26666	0.6
114.09129	10.3
118.08609	3.6
132.10165	39.1
150.11234	27.2
274.27390	9.1
282.27896	1.4
293.19406	0.8
300.28934	1.0
318.29956	100.0
319.30429	0.8
328.64502	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
54.64909	0.8
55.05434	4.5
56.04979	9.3
56.90049	0.8
57.03367	1.2
57.07002	5.5
58.06509	0.9
60.04458	100.0
67.05418	3.7
69.06981	5.2
71.08562	1.5
74.05970	3.3
79.05394	1.7
80.12881	0.7
81.06966	3.8
82.06474	0.9
83.04927	1.0
83.08532	3.6
86.05984	1.1
88.07548	1.9
90.05532	0.9
92.10937	1.8
93.06971	1.7
95.08509	4.2
97.10101	0.7
107.08514	1.4
112.78022	0.8
121.10074	0.8
142.03267	0.8
153.78670	0.8
163.87552	0.8
226.25558	0.9
252.26758	1.8
254.28508	1.0
264.26837	1.3
270.27829	2.0
282.27887	10.1
300.28906	10.3
318.29971	33.6
340.41232	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	1.0
55.09052	0.4
55.91271	0.4
56.96499	0.6
67.05428	0.8
68.04932	0.4
69.03354	0.5
69.06988	0.8
70.06509	100.0
71.06824	0.4
79.05394	0.9
81.06986	0.7
83.04903	0.4
84.04432	0.6
85.02853	0.4
86.09618	2.6
87.01540	0.4
91.05402	0.7
93.06988	0.6
95.04914	1.0
95.08547	1.0
98.97525	2.0
100.11196	1.7
107.08541	0.5
109.06518	0.5
109.10165	0.5
112.08672	14.4
114.36988	0.4
116.98592	1.0
119.08536	0.7
120.02037	1.9
121.10088	0.5
134.99628	1.9
135.04379	1.7
146.99675	0.5
150.26674	0.4
163.03943	0.8
165.07063	0.6
177.00662	0.8
283.20178	0.5
303.58786	0.5
307.29016	0.5
319.13998	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	320.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96238	0.8
56.96502	15.5
56.96758	0.9
71.95168	0.9
98.97516	92.5
102.96808	1.0
110.97511	14.3
116.98574	100.0
118.31100	0.5
120.97856	3.0
128.98566	38.5
134.99628	77.8
138.98959	2.5
140.00142	3.7
146.99632	42.2
149.01183	0.7
152.00266	0.6
153.00681	18.2
158.00061	0.7
158.01205	4.5
158.99615	21.1
161.01257	1.8
165.00694	8.0
170.99606	9.2
177.00676	60.7
182.99522	0.9
189.00676	31.2
195.01730	9.6
200.02312	3.6
201.00700	7.0
207.01749	18.6
212.02238	2.1
212.95508	0.7
219.01685	5.9
225.02765	0.7
230.03354	1.2
232.96414	0.8
234.96037	0.6
237.02774	8.0
249.02751	2.2
255.03844	2.7
258.99747	0.9
260.04251	0.6
274.97473	4.8
277.00903	2.0
278.96863	3.8
279.03793	25.2
292.95322	0.6
292.98492	5.9
294.98480	0.9
296.97830	5.2
297.04907	8.0
310.95520	0.7
314.94937	0.5
320.06512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04781	0.6
53.03889	0.8
54.81590	0.6
55.01801	1.2
56.04976	1.0
56.96502	3.2
57.03376	1.4
60.04448	3.0
61.02851	7.7
69.03351	10.8
69.06982	4.9
70.06509	1.8
71.04925	1.4
72.08073	4.4
73.02826	0.8
74.06007	1.1
76.15952	0.7
81.03336	11.1
84.04435	3.6
84.08067	1.2
85.02826	41.6
86.03138	1.0
86.09628	19.1
87.04414	1.0
87.09917	1.3
91.03877	1.9
97.02834	11.6
98.97506	1.6
99.04393	1.7
109.02829	100.0
113.71415	0.8
116.98588	1.6
125.07110	0.9
127.03899	5.7
128.10657	1.9
134.99631	4.6
140.07071	1.2
141.05443	45.0
145.04950	4.9
146.99617	0.7
149.08841	0.9
158.06067	1.0
173.12823	5.4
174.03928	1.4
175.08566	0.9
177.00690	3.2
177.05513	1.3
180.08727	1.3
189.00740	1.2
201.12355	0.9
221.09161	0.8
279.03506	0.8
320.09064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	1.8
56.04971	1.8
56.96494	4.3
57.04486	1.3
60.05565	2.3
64.33134	1.1
67.05415	1.2
68.04967	1.2
69.03342	1.1
69.06985	1.6
70.06515	59.1
72.08046	4.7
73.95975	1.0
79.05386	1.9
81.03333	1.3
81.06927	1.2
82.33318	1.1
83.04890	1.8
83.25142	1.1
84.08061	1.8
86.09628	4.4
89.03827	1.9
91.05412	1.7
93.06987	2.1
95.04920	1.6
97.02837	1.3
98.97506	6.1
103.05389	1.2
103.95367	1.0
104.05334	1.0
105.03333	1.2
105.06947	1.6
109.06499	1.4
110.07111	2.2
116.07046	72.6
116.07871	2.5
116.98584	10.3
117.03326	7.2
118.06734	1.0
119.08532	1.2
120.08063	100.0
123.08032	1.7
128.11743	1.9
128.98555	2.0
134.27036	1.0
134.99602	9.4
135.04486	1.1
135.08076	1.0
145.02821	29.7
146.99608	4.0
149.05942	1.7
158.99507	2.0
163.78008	1.1
168.92542	1.1
170.99725	1.1
177.00705	6.1
177.05443	38.5
177.10194	19.9
189.00732	5.1
201.00706	1.5
205.09854	1.7
207.01686	2.5
213.70734	1.1
219.01762	4.9
227.44846	1.1
237.02673	2.2
247.14299	1.6
321.15805	1.4
321.19040	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	321.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96508	16.8
61.55853	10.1
72.08067	43.0
84.04424	46.4
84.08069	89.1
87.04398	10.7
92.63733	11.6
111.05450	12.1
118.08601	17.2
130.05046	14.6
130.08600	15.2
151.97618	14.6
200.91499	10.8
321.05734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35421	1.1
54.81863	1.4
55.05439	2.2
56.96497	9.8
60.05587	11.3
65.89025	1.3
68.04932	2.2
69.03310	1.6
69.04469	2.8
70.06513	15.3
72.08070	9.7
84.04437	2.6
84.08061	11.9
84.95963	1.8
85.02819	2.3
86.05992	7.3
86.09622	5.4
89.03840	7.5
91.05396	1.4
93.07037	1.5
98.97524	9.0
110.07079	12.8
116.98547	12.5
117.03318	27.1
120.08099	1.6
126.08988	3.3
127.09770	46.8
128.98553	1.6
129.10178	4.9
130.06523	1.9
134.99651	10.5
135.04337	3.0
136.07536	2.1
141.09267	1.5
142.62489	1.5
143.00066	1.6
145.02831	100.0
146.03175	2.4
146.99632	5.9
149.05959	8.8
152.06992	2.3
153.00667	2.0
158.99588	2.9
161.01204	2.3
161.08154	5.3
164.07051	3.1
173.01279	1.5
177.00737	10.7
177.05440	98.2
178.05742	1.8
179.02034	1.5
189.00710	1.9
191.02156	1.4
192.06697	1.3
201.00719	2.2
208.06113	1.6
219.01707	2.9
227.08098	14.1
228.08812	2.2
237.02780	2.7
243.11250	15.7
261.02847	2.7
279.03824	1.8
285.13354	18.5
303.14474	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01813	0.2
55.05442	0.4
56.96491	0.9
57.04499	2.0
60.05301	0.3
60.05581	4.9
67.05439	0.2
68.04943	2.6
69.03352	0.6
69.06983	0.3
70.06509	3.1
71.06837	0.3
72.08069	7.6
74.07108	1.1
76.52769	0.2
78.04654	0.2
79.05392	0.3
81.06961	0.4
81.47472	0.3
86.05978	1.5
86.09621	0.4
89.03828	3.0
89.10715	1.1
91.05409	0.4
93.06951	0.3
97.07588	0.5
98.05962	0.5
98.97507	1.0
105.03345	0.4
105.06983	0.5
110.07108	1.8
114.10227	2.9
115.08648	1.1
116.07053	2.0
116.98545	1.0
117.03329	14.5
117.07369	0.6
120.08044	2.8
121.08400	1.3
128.08145	1.6
128.11792	10.4
129.10187	1.8
130.06499	0.5
134.03612	1.3
134.99593	1.0
135.04395	1.8
145.02823	72.6
146.03177	1.1
146.99745	0.2
147.04402	0.3
149.05965	6.4
152.07025	0.3
154.67393	0.2
158.06026	1.3
162.03139	0.3
163.03838	2.0
164.07051	0.2
177.05432	100.0
178.05820	1.8
178.08682	0.5
189.00787	0.3
190.08650	0.9
192.06410	0.3
231.11282	0.3
232.12048	1.4
234.11266	1.0
237.02838	0.3
247.14336	3.9
248.12756	5.9
261.02618	0.4
261.12186	0.3
265.15421	1.9
287.63950	0.3
290.14908	1.3
293.15985	0.4
304.16605	2.2
321.15607	1.7
321.19135	29.1
322.19522	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2421
Annotation	11S,12R-EpETrE
Peak:m/z	Relative Intensity
50.42724	3.8
52.16287	3.5
52.75672	3.7
52.88365	3.3
52.88645	3.0
53.00237	3.9
53.70412	3.4
55.01802	29.7
55.05449	38.0
57.07001	19.2
59.00277	4.0
59.41549	3.6
63.14404	3.7
67.05434	44.6
69.03347	9.5
69.06989	91.0
79.05414	34.8
81.06966	83.2
83.08537	50.0
91.05394	25.3
93.06967	79.1
95.04895	56.8
95.08531	59.7
97.06465	22.2
105.06973	24.6
107.08529	100.0
109.06451	39.9
109.10094	63.9
111.04350	5.2
111.08051	10.0
117.06970	8.3
119.08540	27.0
121.06453	7.7
121.10118	21.4
123.11636	26.2
124.83751	4.4
125.05937	28.3
125.09593	18.1
131.08583	9.3
133.10089	6.7
135.08041	48.3
135.11658	18.3
137.09558	40.2
145.10060	7.8
145.24034	4.8
149.13234	19.3
151.07564	5.2
153.09067	18.7
159.08022	8.8
159.11693	4.8
161.09650	4.8
163.11118	5.5
191.10660	5.6
209.19000	5.8
225.80714	5.2
229.44290	4.3
230.05692	4.9
279.48206	4.7
293.71582	5.2
303.23123	27.0
321.24036	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.242
Annotation	(E,E,E)-2-(6-Hydroxy-4-methyl-4-hexenylidene)-6,10-dimethyl-5,9-undecadienoic acid
Peak:m/z	Relative Intensity
52.33910	1.2
53.00251	1.4
55.01815	1.6
55.05441	2.1
56.57737	1.4
57.07025	1.5
65.03860	1.5
67.05418	9.1
67.33730	1.5
69.03343	3.2
69.06985	23.1
79.05405	12.7
79.64939	1.2
80.73252	1.7
81.06975	48.9
83.08530	2.4
85.06480	2.0
91.05415	2.4
93.06948	9.0
95.04893	100.0
95.08527	12.0
96.23280	1.4
98.97461	1.9
105.06984	3.4
107.08537	9.1
107.43469	1.4
109.06466	77.2
109.10103	9.7
111.08012	2.3
114.38320	1.9
116.98526	1.9
119.08553	3.2
121.06465	13.5
121.10086	7.6
123.11682	15.6
127.07501	5.9
131.08528	2.2
133.10100	1.9
134.99577	1.8
137.09596	2.3
159.11635	2.4
165.09050	7.2
172.61928	1.6
177.00566	2.3
181.37234	1.5
303.23096	8.3
321.24097	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2422
Annotation	11S,12R-EpETrE
Peak:m/z	Relative Intensity
52.36142	1.7
53.00244	2.0
53.03877	1.9
55.01814	14.1
55.05205	2.7
55.05448	25.6
56.91456	1.6
56.96495	2.9
57.07015	25.1
58.07338	4.5
66.67511	2.0
67.05425	30.0
68.97492	1.9
69.03342	11.1
69.06986	46.8
70.06511	26.5
71.06825	4.6
71.08550	2.9
79.05404	26.5
81.06969	55.0
83.04913	2.7
83.08532	29.6
88.07546	20.4
89.07877	8.4
91.05399	24.9
93.06973	38.4
95.04924	21.7
95.08524	30.8
97.02812	35.2
97.06477	12.0
97.10088	2.6
98.97501	2.4
102.09099	4.9
103.09472	1.8
105.06967	21.8
107.08534	100.0
109.06463	27.1
109.09376	3.2
109.10096	43.6
111.04390	26.6
111.08009	10.8
115.05370	4.5
117.06953	10.6
119.08519	12.5
121.06444	11.8
121.10100	22.1
123.04375	10.1
123.11633	4.0
125.05936	2.4
125.09615	22.9
131.08513	4.7
133.10104	8.2
135.08015	70.8
135.11667	3.0
137.09583	26.6
137.13213	2.9
144.74820	2.2
145.10069	10.6
146.99661	2.9
147.08060	3.3
147.11656	3.5
149.13208	10.7
153.09067	54.2
157.10164	2.2
159.08003	8.1
161.09584	4.3
163.07561	4.1
165.04315	2.3
165.09059	3.0
173.09608	4.1
173.13191	2.2
181.08562	2.5
185.13075	2.2
186.13591	2.1
191.10585	4.9
192.91129	2.5
199.09602	12.2
209.11717	4.0
210.92322	2.6
215.06264	2.4
234.92087	4.4
256.26245	4.3
257.26688	10.6
258.26907	27.9
259.27231	2.8
303.23038	14.7
320.30606	48.0
321.24228	49.1
321.30618	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74206	3.2
54.82246	4.7
55.05435	10.6
56.22263	3.9
56.96473	6.7
57.06994	7.3
67.05414	19.2
69.06972	27.6
79.05383	19.4
81.06976	61.0
86.09615	5.0
88.03941	5.6
91.05434	5.1
92.10221	6.1
93.06938	8.8
95.04887	100.0
95.08517	6.3
96.70910	4.2
98.97511	8.3
102.41534	4.2
102.86460	5.1
105.06982	7.3
107.08528	8.9
109.06459	99.0
109.10073	7.8
115.87136	4.1
116.98556	9.6
119.08540	6.3
134.99586	10.2
135.07994	22.4
149.09563	24.6
165.09047	20.6
172.95149	5.7
175.95982	4.4
177.00690	9.8
177.26138	5.1
221.15225	7.9
301.35846	4.5
303.23120	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	322.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96497	1.7
58.06528	2.0
70.06499	2.1
72.08067	12.4
72.46906	0.9
74.11533	0.8
78.17158	1.0
78.21825	0.9
84.04404	1.8
84.08067	3.6
89.03834	4.9
92.10242	1.0
98.97493	3.8
112.11184	9.5
114.32344	0.8
116.98572	3.2
117.02573	0.9
117.03339	23.4
129.13818	4.1
129.75656	0.8
134.03613	1.1
134.99600	4.2
135.04379	1.2
145.02824	96.7
146.16496	1.1
149.05974	9.9
151.60458	1.1
153.00710	1.3
155.11812	1.0
158.05962	1.3
161.01187	1.3
177.05434	100.0
178.05728	0.9
191.97180	0.9
211.02791	1.5
219.01733	1.1
234.11200	2.0
239.35143	0.8
246.79668	0.8
248.12749	5.2
253.96280	0.9
265.15530	0.9
277.00769	1.8
305.18594	3.8
322.21194	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35262	0.6
53.03885	0.8
54.75581	0.6
55.05458	9.0
56.96499	4.0
57.07005	2.8
60.04450	1.2
62.06017	100.0
65.03828	0.8
67.05075	1.2
67.05428	29.5
69.06982	6.9
75.58069	0.8
79.05409	17.1
81.06976	26.5
83.08556	1.7
84.95564	0.7
85.06475	0.7
91.05399	11.5
92.10848	1.0
93.06437	1.4
93.06974	27.3
95.04903	9.7
95.08530	21.3
98.05969	0.8
98.97508	11.8
105.04464	0.9
105.06973	5.0
106.94821	0.8
107.08537	11.6
109.06480	1.1
109.10104	4.6
111.08039	1.0
116.98572	13.7
117.06964	1.6
119.08519	5.0
121.10099	9.1
123.11674	1.3
128.98572	1.0
131.08505	3.5
133.10091	1.0
134.99622	19.8
135.11668	3.3
137.01735	0.8
145.10120	3.2
147.11655	1.6
149.13199	3.3
153.00697	3.2
159.11646	1.6
163.14801	1.4
168.10048	1.3
205.17842	0.8
243.21005	1.5
252.93031	1.0
258.99673	4.3
261.22043	3.1
264.83630	0.8
277.00735	16.9
300.02289	1.1
322.20001	1.8
322.27451	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	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27803	1.2
55.05441	9.7
56.96499	6.9
57.07001	1.5
58.27249	1.1
59.40216	1.1
62.06017	100.0
64.25780	1.0
67.05424	27.8
69.06970	5.4
71.23877	1.1
79.05403	21.5
80.05742	1.1
81.06972	29.1
83.08544	2.3
91.05396	9.9
93.06976	24.3
95.04883	2.9
95.08529	20.2
97.06301	1.2
98.97509	21.4
104.99187	1.7
105.06960	7.1
107.08527	13.1
109.06439	1.5
109.10091	7.7
116.98570	28.0
117.06972	2.3
119.08562	2.6
121.10102	8.9
123.11585	1.5
127.13630	1.3
128.59270	1.2
131.08533	2.7
133.10063	2.1
134.99626	26.7
135.11646	6.1
145.10092	2.4
153.00699	9.7
159.11647	1.5
163.52568	1.1
175.27731	1.3
177.16286	1.6
210.92044	2.5
234.92201	1.9
243.20979	1.8
249.98578	1.5
252.93321	2.2
258.99814	10.3
261.21979	2.1
277.00726	31.5
322.27307	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	322.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	25.3
57.03359	3.9
57.06998	6.3
57.42760	3.1
58.02885	19.0
63.82180	3.1
63.84262	3.1
67.05408	17.5
68.21362	3.3
69.06989	29.6
71.08547	31.5
71.84378	4.1
77.04041	4.0
79.05404	20.6
81.06985	29.4
83.08519	6.8
85.98692	4.2
86.71752	3.4
88.11266	3.2
91.00076	4.4
92.10828	5.4
92.64471	4.8
93.06970	30.4
95.08545	33.6
97.06461	4.9
99.08014	6.4
105.06959	5.1
107.08505	16.5
109.06461	21.8
109.10097	6.1
114.09116	4.3
114.37464	4.0
119.08541	4.7
121.10082	8.3
123.08031	4.9
123.11652	5.9
128.10725	4.6
133.10078	5.5
165.12692	28.1
175.14661	6.5
198.14857	4.6
224.20070	21.9
241.11287	3.9
251.64456	4.3
291.23062	45.9
322.27325	100.0
340.01752	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	322.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95567	3.9
53.51899	4.1
55.05446	24.5
56.96502	52.2
57.07005	5.4
58.06536	6.8
58.08530	3.9
60.08105	4.6
62.06018	100.0
67.05434	28.4
69.06987	29.7
69.65728	4.6
79.05399	18.3
81.06976	27.1
86.09636	50.1
93.06976	22.5
95.08552	20.1
97.10116	4.5
98.97522	16.1
104.10682	84.0
105.06979	4.8
109.10119	5.9
116.98574	19.4
121.10105	8.2
121.63448	4.5
124.99976	21.0
130.54111	4.7
131.00157	17.1
134.99628	24.1
138.52954	93.7
147.53499	22.4
149.01187	37.3
150.03831	5.5
153.00746	5.3
157.53770	27.8
158.03738	3.9
158.55324	7.9
161.13103	4.1
166.54242	35.9
172.95284	10.0
184.07318	48.3
188.04256	5.4
190.96271	8.7
198.96805	23.6
201.00108	4.3
216.97804	15.4
228.97882	7.2
240.09792	6.3
277.00723	21.1
289.65839	21.6
290.16211	6.9
339.22131	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	323.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34280	0.2
58.00552	0.2
60.05579	17.2
62.97406	0.2
70.06509	36.7
71.04906	30.4
73.33604	0.3
88.07559	4.7
90.91119	0.2
101.74522	0.3
106.53118	0.3
110.77402	0.2
112.08656	2.0
116.98521	0.4
130.09726	100.0
131.10161	0.4
145.02820	0.3
185.84537	0.2
193.45773	0.2
197.65782	0.3
241.83496	0.3
249.30850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11262	0.3
55.05433	0.7
56.96489	1.7
60.05580	6.5
62.26057	0.5
62.48866	0.4
62.51855	0.3
69.03343	0.5
70.06511	14.4
71.04890	0.9
72.08063	0.5
79.05413	0.6
83.06020	0.7
84.04411	0.9
84.08068	1.1
85.02805	0.6
85.34571	0.4
88.07556	4.0
89.03835	7.2
91.05387	0.7
93.06948	0.6
97.02817	0.5
98.97507	2.5
105.06988	0.6
107.08531	0.8
109.02851	0.5
110.07103	0.9
112.08670	6.1
113.07072	1.8
116.98563	2.9
117.03326	26.1
119.04913	0.8
121.10124	0.6
124.05114	0.5
128.98610	0.4
129.11317	5.5
130.08754	0.8
130.09711	5.6
130.15909	0.5
132.07991	0.5
133.02843	0.6
134.03601	1.9
134.99623	2.3
135.04379	1.9
145.02821	100.0
147.04410	2.0
147.12427	4.2
149.05960	9.0
151.03854	1.0
153.00572	0.5
155.09259	0.5
157.82645	0.5
163.03835	0.6
177.05429	99.1
178.05807	1.7
182.09564	0.5
186.05524	0.8
193.05005	0.5
205.05560	0.5
237.02939	0.5
246.11192	0.7
264.12592	0.4
277.00650	0.7
289.11890	0.7
305.16000	6.8
305.99652	0.4
306.14267	1.7
323.17090	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18523	0.7
52.48214	0.6
52.69444	0.6
54.81845	0.7
55.01802	0.6
56.96490	2.9
60.05583	16.4
65.03857	0.6
68.24152	0.6
70.06514	41.6
71.04554	1.2
71.04916	29.9
72.08068	0.9
73.35667	0.6
82.04755	0.6
84.04435	0.9
84.08067	0.9
85.02815	1.2
88.07552	4.8
98.97517	4.5
105.57509	0.7
107.04848	1.1
112.08654	1.4
116.98563	6.1
130.06490	1.5
130.09732	100.0
134.99625	4.9
145.02792	1.2
153.00696	1.2
156.06746	0.7
158.05942	1.1
163.03777	1.0
166.53189	0.7
173.07059	0.9
177.05446	1.5
178.56883	0.9
190.89120	0.7
193.06310	0.8
194.01300	0.7
219.01830	1.0
258.99731	0.8
277.00702	3.4
324.10522	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	323.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82092	2.5
55.05452	3.1
55.95647	2.5
57.23003	2.4
66.35010	2.1
67.05387	2.4
69.90006	2.4
81.06966	4.9
91.18387	2.6
131.04779	2.5
138.11494	2.1
139.91634	2.3
154.01761	2.6
160.03223	2.6
242.94128	3.0
255.10242	2.6
276.44067	3.3
323.19531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01802	3.5
55.05448	23.2
56.04963	12.0
57.03368	2.5
57.06989	2.3
67.05075	1.8
67.05428	42.0
68.42917	1.7
69.03349	2.8
69.07001	16.0
70.06494	7.7
71.04910	7.5
79.05408	27.6
79.68508	1.5
81.06981	63.7
82.06510	13.0
83.04897	7.6
83.08527	9.3
84.08063	4.0
85.06462	15.6
87.70142	1.6
91.05420	35.0
93.06977	37.4
94.06483	2.9
95.04892	21.5
95.07958	2.3
95.08536	43.6
96.08065	7.4
97.06536	6.0
97.10079	1.9
98.09631	34.2
99.08053	3.0
100.07555	2.5
105.06979	25.5
107.08540	19.8
109.06443	3.8
109.10092	18.3
110.09660	14.6
110.10329	2.2
111.04395	1.9
111.08051	16.1
117.06913	2.6
119.08543	31.2
121.10121	4.5
122.09657	2.9
123.08013	2.4
123.10376	2.5
123.11680	2.3
128.06989	2.0
133.10074	18.2
135.11661	11.6
136.11183	3.9
137.09557	2.1
146.05991	3.7
149.13234	7.9
161.13228	23.5
165.24823	2.0
167.14296	8.7
170.20555	2.1
178.15845	36.2
179.14178	1.9
186.88594	2.4
195.18599	4.2
196.16943	29.3
305.22122	42.2
323.23221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2577
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
50.26214	2.3
50.80601	2.4
53.03881	2.9
53.13967	2.3
54.70214	2.4
55.01799	2.8
55.05446	38.9
55.64426	2.3
56.98222	2.3
57.03360	3.4
57.06997	10.8
57.30130	2.5
59.89799	2.1
65.07037	2.7
67.05420	24.8
69.03349	6.9
69.06988	73.1
71.04897	3.5
79.05394	24.6
81.06971	90.1
83.04909	3.6
83.08528	28.8
85.06462	6.8
89.26772	2.7
91.05388	14.7
93.06967	57.7
95.04901	22.0
95.08526	60.2
95.47564	2.6
97.06467	11.3
97.10091	14.5
105.06971	21.9
107.08537	41.2
109.06466	100.0
109.10098	31.1
111.04325	10.0
111.07996	27.7
119.08528	18.3
121.10098	34.3
123.08016	6.2
123.11665	15.8
125.05943	6.8
127.07497	6.0
133.10063	6.9
135.11624	6.7
137.13139	4.7
139.02045	3.0
139.11096	3.3
145.10086	3.6
147.11613	4.8
149.13184	12.4
161.13234	11.3
165.09081	3.6
186.43486	3.1
187.00183	2.7
217.19467	5.9
235.20465	10.6
305.24591	13.1
323.25674	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	323.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03664	1.6
55.01814	2.3
55.05450	22.4
56.96492	2.6
57.07009	7.7
58.96085	1.5
67.05425	20.7
67.67827	1.5
67.89009	1.4
68.61800	1.6
69.03346	7.5
69.06991	41.8
71.08533	2.7
72.98267	1.6
79.05410	15.9
79.70747	1.6
81.06970	44.0
83.04907	3.0
83.08540	26.1
91.05399	8.2
93.06972	21.1
94.39106	1.8
95.04887	4.1
95.08541	41.5
97.02805	8.3
97.06458	2.3
97.10104	4.6
98.97491	18.4
101.38493	1.5
105.06971	15.9
107.08541	23.4
109.06451	9.6
109.10104	17.8
111.04392	100.0
111.08029	2.4
116.42166	1.8
116.98564	21.9
119.08540	9.8
121.06458	8.6
121.10096	19.7
123.04398	2.5
123.08005	2.3
123.11658	13.9
131.08578	2.3
133.10080	11.5
134.99638	19.3
135.08003	4.2
135.11630	4.6
139.11198	2.3
143.08575	2.2
145.10052	3.5
147.11665	3.8
149.09659	4.6
149.13254	4.4
153.00681	3.2
153.09073	3.1
159.11725	2.7
161.09627	7.2
161.13339	2.8
167.10670	12.8
180.59105	1.9
181.12152	2.5
193.12207	2.2
195.13747	2.3
223.16859	3.4
231.17436	2.8
235.16876	2.4
249.18336	4.2
258.99783	6.9
277.00751	15.9
305.24542	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	323.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85040	1.1
51.45936	1.2
55.01800	1.7
55.05450	13.6
57.03355	1.3
57.07003	2.8
65.03855	2.2
67.05429	21.4
69.03351	5.9
69.06648	2.0
69.06989	29.7
71.04897	6.4
76.27881	1.5
79.05413	19.4
81.06981	62.6
82.94479	8.7
83.04880	3.6
83.08530	6.0
91.05412	8.2
93.06982	22.8
95.04898	100.0
95.08533	23.2
97.06441	7.1
99.04375	1.7
105.06972	11.4
107.08548	23.2
109.06467	62.5
109.10115	15.4
111.08003	6.0
111.11701	1.6
115.05363	1.4
119.07254	2.6
119.08540	7.3
121.10088	9.6
123.08067	1.8
123.11673	10.7
127.07507	2.7
133.10118	6.9
135.08025	40.2
135.11676	2.9
137.09634	3.1
137.13248	2.6
139.11125	3.5
145.10095	2.1
147.11578	2.3
149.09566	2.1
151.11130	8.4
164.02603	1.9
165.06541	21.7
167.10670	3.5
177.05440	2.3
179.10658	2.4
218.10191	1.7
241.00537	2.2
248.96669	1.5
257.99478	5.7
266.51605	1.5
274.99673	16.1
305.24588	2.0
315.38101	1.6
323.25662	6.7
333.11917	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	323.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30387	3.5
53.03880	3.8
54.22299	3.1
55.01805	5.8
55.05431	18.0
56.96484	9.5
57.06998	5.9
67.05113	3.2
67.05425	34.4
69.03355	6.2
69.06989	82.3
79.05398	26.3
81.06969	100.0
83.04895	7.3
85.06464	6.5
91.05386	18.0
93.06971	57.2
95.04898	84.9
95.08530	50.5
97.06480	5.3
98.97500	18.2
104.59830	4.1
105.06967	43.9
107.08520	42.6
109.06454	44.6
109.10091	35.9
111.08018	7.8
113.68259	4.4
116.98537	27.7
119.08525	19.0
121.10060	32.8
122.23722	3.8
123.08013	5.8
123.11646	50.3
127.07489	5.0
131.08514	5.0
133.10060	7.2
134.99635	34.5
135.11636	16.3
137.05988	5.9
139.11134	6.3
145.01750	7.1
145.10060	8.3
146.06023	4.7
147.11711	7.8
157.09999	5.2
161.13199	5.1
163.11205	6.6
163.14833	5.1
167.10620	7.1
173.13219	4.3
269.22433	6.1
269.70010	4.0
277.00674	5.9
281.10480	19.9
323.11508	5.1
323.18152	15.8
323.25708	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	323.2576
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
50.08314	0.5
53.00233	0.8
53.03875	1.4
55.01807	0.8
55.05449	12.5
55.48329	0.6
56.96497	1.1
57.07000	3.5
59.83086	0.5
60.59525	0.5
65.03860	1.0
65.14265	0.6
65.79690	0.5
67.05429	13.9
69.03337	1.3
69.06654	0.8
69.06990	14.3
71.04895	3.1
74.97159	0.5
79.05410	9.8
81.06976	36.4
83.04893	5.4
83.08556	4.6
83.08944	0.6
85.06471	4.1
85.69791	0.5
91.05405	6.6
93.06973	19.7
95.04896	100.0
95.08536	16.6
97.06461	3.5
97.10075	1.0
98.97478	1.2
99.08025	2.3
100.11169	0.8
105.06983	10.1
107.08546	11.5
109.06474	15.0
109.10112	11.5
111.03674	0.6
111.08023	1.2
116.98557	1.4
117.06971	2.2
119.08535	6.1
121.06440	2.9
121.10091	7.1
123.08028	1.3
123.11656	11.8
125.09579	0.6
127.07465	0.9
127.54263	0.6
131.08533	2.4
133.10081	4.4
134.99638	1.0
135.07993	3.6
135.11703	5.1
137.09636	0.8
137.13217	2.6
139.07603	0.6
139.11171	1.4
143.06935	0.6
143.08537	1.1
145.10097	6.8
146.05969	0.8
147.11678	4.2
149.09523	0.7
149.13203	2.4
151.11151	1.0
157.10085	1.1
159.11676	5.0
161.13177	1.5
163.11116	3.5
163.14746	0.7
165.12723	0.7
171.11661	0.9
173.13148	1.1
177.12781	0.8
181.12225	0.9
185.13239	1.0
189.16339	0.8
212.19930	0.6
213.16380	1.0
227.17902	0.7
269.22501	2.1
277.00735	0.6
287.23776	5.9
305.24811	4.2
323.18024	1.1
323.25717	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	323.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74711	1.2
55.01786	1.6
55.05442	8.9
56.96494	7.1
57.07008	2.9
58.75424	1.2
61.66853	1.3
62.06019	15.3
67.05434	16.2
69.06998	16.4
73.26270	1.2
79.05422	9.6
81.06983	29.5
83.04878	1.9
83.08537	2.0
85.06464	2.8
88.04824	1.3
91.05441	4.2
93.06966	14.5
95.04901	100.0
95.08538	18.2
97.10038	1.7
98.97509	28.1
105.06348	1.7
105.06963	11.0
106.55814	1.3
107.08550	11.0
107.74900	1.4
109.06486	13.4
109.10106	10.5
111.08017	5.4
111.11595	1.5
116.98569	42.4
119.08546	2.7
121.10090	3.3
122.39274	1.4
123.11658	8.5
131.08496	1.6
133.10088	7.2
134.99631	42.4
135.08041	3.3
135.11673	2.3
137.09581	2.0
137.13158	2.4
139.11136	2.3
145.10143	2.7
147.11673	2.9
152.81221	1.4
153.00674	11.8
157.10196	1.8
158.01161	1.5
258.99823	10.4
277.00751	44.5
278.00958	6.7
300.02219	2.3
305.24728	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	323.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	3.1
53.64696	2.5
54.81823	3.5
55.05456	22.8
56.28334	2.5
56.96492	18.4
57.07000	5.7
67.05432	33.8
69.03358	6.4
69.06992	52.3
71.04898	3.7
79.05403	18.0
81.06566	4.2
81.06984	61.0
83.04920	3.2
83.08533	27.4
85.06462	5.1
91.05396	12.0
92.10926	3.9
93.06978	45.4
94.55847	2.9
95.04350	4.9
95.04908	69.5
95.08531	62.7
97.06461	5.9
97.10097	6.6
98.97518	70.7
105.06962	17.4
107.08537	35.5
109.06444	12.3
109.10101	45.1
111.08023	17.7
116.98574	93.3
119.08540	16.1
121.10118	24.9
123.11649	6.6
133.10103	16.7
134.99622	100.0
135.11664	3.5
137.09599	43.2
137.13258	4.3
140.00148	3.0
146.58124	2.8
147.11662	7.0
149.13251	11.7
153.00671	32.2
158.01254	6.1
160.99513	2.8
165.09048	6.7
165.12621	2.9
193.12234	4.9
209.18932	3.3
215.01863	3.1
226.35318	3.3
258.99637	23.5
259.99960	3.9
269.22705	3.7
277.00790	86.2
300.02286	4.0
305.24823	23.7
323.25711	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.00247	4.9
54.81019	3.1
55.01805	27.8
55.05450	49.2
55.29719	2.5
56.82568	2.5
57.07012	23.0
67.05420	31.2
68.05765	3.0
69.03339	12.3
69.06992	100.0
70.62182	2.4
71.04888	11.6
71.08537	4.0
79.05418	14.3
81.06980	84.6
83.04881	3.2
83.08538	39.1
84.08883	2.7
85.06458	4.6
87.04388	10.7
91.05412	5.6
92.63170	2.8
93.06973	31.2
95.04875	2.9
95.08531	65.7
97.06438	5.7
97.10090	20.9
98.97493	18.9
98.98386	11.8
99.04375	14.3
105.06978	11.5
107.08535	41.0
109.06464	5.7
109.10113	43.3
110.78417	3.1
111.08024	69.3
113.05976	4.3
115.03869	4.6
116.98549	22.9
119.08540	21.2
121.10137	25.3
123.11667	21.1
125.05973	33.1
125.09546	3.6
133.10095	13.7
134.99651	23.7
135.11662	13.9
135.87659	2.6
137.13217	14.5
139.07506	5.6
139.11198	2.8
143.07008	2.9
147.11707	4.2
149.13289	4.0
151.11150	5.5
153.00700	3.6
153.09193	2.6
161.13261	4.2
167.10658	6.4
181.12210	3.5
189.16383	5.1
193.19421	5.7
228.11002	3.0
249.18390	4.2
258.99753	4.9
277.00784	21.1
305.24695	14.1
323.25653	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	324.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	0.3
57.03369	0.5
61.02856	0.4
69.03339	1.5
69.06990	0.4
70.06502	0.3
70.79665	0.2
72.95977	0.2
73.02838	0.3
81.03329	0.3
84.04417	1.0
84.08073	0.4
85.02816	3.4
85.98753	0.2
86.09622	100.0
87.09953	0.6
92.03240	0.3
92.10217	0.3
97.02819	1.5
99.04397	0.6
110.07103	0.3
121.28444	0.2
127.03870	1.4
132.10161	32.1
145.04910	0.5
149.82915	0.3
174.70453	0.2
177.09207	0.2
193.05124	0.4
193.21317	0.2
202.01524	0.3
290.04105	0.3
343.89795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06574	2.7
55.05436	21.1
56.49271	2.7
56.96490	16.4
57.07013	3.9
59.25064	2.8
67.05427	12.6
69.06976	19.5
73.82804	3.2
81.06956	13.4
83.08512	13.2
87.74335	3.5
95.08527	13.9
97.10104	4.7
98.97520	25.7
109.10078	5.1
111.08041	5.7
116.98551	25.0
134.99608	25.1
135.07974	7.1
148.05702	3.6
153.00655	14.5
190.92455	5.5
228.94002	4.1
232.93370	5.3
246.95006	4.9
259.99878	4.4
278.01007	15.2
278.24869	4.3
279.00623	7.2
298.63858	3.5
306.23984	7.8
324.28632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2895
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
50.52119	1.2
55.05449	13.6
57.06993	6.1
62.06016	100.0
66.97238	1.5
67.05426	30.2
69.06974	8.8
71.24574	1.2
71.64230	1.6
75.91553	1.4
79.05392	7.7
81.06976	27.2
83.08522	6.3
91.05405	5.9
92.10216	2.4
93.06967	7.5
95.01690	1.6
95.08533	22.1
105.06967	3.1
107.08551	2.0
109.10098	8.2
116.98557	2.3
117.15189	1.5
121.10111	3.1
123.11662	2.1
132.39491	1.6
134.99634	2.3
171.25711	1.5
197.98083	1.9
203.00722	1.7
233.04900	1.6
239.14018	1.5
280.21985	2.0
307.26218	22.3
324.28931	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2895
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
52.84017	1.0
54.12037	1.4
55.05449	11.0
62.06017	100.0
67.05421	24.4
69.06996	9.9
72.05968	1.1
79.05408	7.1
79.70194	1.2
81.06977	23.0
83.08523	2.3
91.05400	3.0
93.06966	2.6
95.08529	19.6
97.06454	1.5
105.91534	1.3
107.08550	3.0
109.10129	6.5
110.36620	1.3
156.76982	1.5
160.80612	1.8
168.20824	1.6
179.37001	1.5
262.41232	1.6
306.27960	1.7
307.25989	1.4
324.28955	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	324.3258
Annotation	N-Cyclohexanecarbonyltetradecylamine
Peak:m/z	Relative Intensity
51.69272	0.8
55.05436	1.7
57.07005	6.1
62.06008	2.4
62.91852	0.9
64.96070	0.9
67.05408	1.5
69.06982	2.1
71.08555	1.2
72.04419	5.5
78.33241	0.8
85.10081	1.2
86.09627	33.3
92.10871	3.4
93.05056	0.9
98.87546	0.9
103.91352	1.0
107.03840	0.9
107.21905	1.0
114.16987	1.0
119.30532	1.1
124.05139	1.1
143.44151	1.1
150.51659	1.0
156.13876	1.6
324.32550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.3258
Annotation	N-Cyclohexanecarbonyltetradecylamine
Peak:m/z	Relative Intensity
57.07013	5.1
62.06000	0.6
69.06992	5.3
71.08540	2.4
71.37720	0.6
76.56695	0.6
84.08059	2.5
86.09628	41.8
95.08536	1.1
132.99419	0.6
142.60564	0.5
156.13795	0.8
173.71516	0.6
324.32538	100.0
325.32962	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00232	5.1
55.05437	15.1
57.07003	19.5
62.05993	2.0
67.05413	4.5
69.06976	33.9
71.08545	53.9
79.05419	2.2
79.53335	2.3
83.08526	13.9
84.69965	2.7
86.05980	8.8
86.93089	2.2
88.11183	54.0
93.06941	2.5
95.08492	3.0
97.06462	2.1
97.10105	9.5
101.72180	2.4
121.10046	2.8
156.13805	4.4
170.15395	4.4
184.16954	4.3
198.18465	4.9
324.32507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08524	0.6
53.03881	1.6
53.80509	0.6
55.01817	12.5
57.03375	15.4
58.77095	0.6
59.58619	0.6
61.02859	16.1
63.88654	0.6
68.93949	0.7
69.03349	43.6
71.04926	2.4
73.02821	10.1
79.68796	0.6
81.03333	7.1
82.02898	0.8
85.02829	100.0
87.04388	1.6
91.03869	6.1
92.93497	0.7
97.02823	31.4
97.03447	1.1
99.04387	9.6
101.02316	8.8
103.03856	1.0
109.02838	6.5
115.03909	2.6
118.08569	0.9
127.03879	48.5
128.53880	0.7
145.04953	22.3
163.06029	3.8
171.44023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36713	0.7
51.73288	0.7
52.14788	0.8
53.03877	1.3
55.01575	1.4
55.01813	18.8
56.78125	0.7
57.03376	15.0
61.02854	9.0
69.03349	51.8
69.80179	0.9
71.04887	1.7
73.02833	9.6
81.03320	7.0
83.01266	1.1
85.02825	100.0
86.09622	50.5
87.04359	1.4
87.09952	13.7
91.03858	1.3
97.02822	28.6
98.61759	1.1
99.04371	9.5
101.02316	9.9
104.17039	1.1
109.02826	7.0
111.32990	1.1
115.03839	4.3
127.03873	55.8
127.82289	1.1
132.10152	15.6
133.10487	4.3
136.06160	1.0
145.03857	1.8
145.04939	28.7
163.05968	4.1
329.69147	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28404	0.2
53.03891	2.2
55.01811	2.5
56.22255	0.2
56.96494	0.4
57.03374	3.5
59.04929	0.2
61.02867	1.2
65.00165	0.2
69.03347	20.1
70.06528	0.4
71.01276	0.6
71.04908	5.7
73.02840	1.2
77.04060	0.3
79.68037	0.2
81.03336	16.7
84.08062	0.3
85.02856	1.2
91.05417	1.1
94.11170	0.2
99.04389	5.7
103.64477	0.2
116.04919	0.6
117.05476	1.1
118.06492	7.7
145.02832	0.2
145.07582	9.3
145.08742	0.4
147.05461	0.3
147.07970	0.4
147.09143	11.0
159.09106	0.3
162.07848	1.8
163.08582	1.9
168.27539	0.3
169.57568	0.3
173.01056	0.3
173.07068	18.7
175.08635	7.0
185.07140	0.4
191.08119	100.0
192.08443	1.5
200.09306	0.4
205.09630	0.3
215.11714	0.3
231.11252	0.3
233.09134	1.1
240.15804	0.3
251.01578	0.3
289.11713	1.3
307.12781	18.3
308.13037	0.4
325.13766	17.3
326.14246	0.4
341.86328	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	1.6
55.01804	5.9
56.96500	5.5
57.03366	6.6
59.22483	1.1
61.02835	1.8
67.05422	1.2
69.03347	27.7
70.06488	6.1
71.04908	7.8
79.05400	1.8
80.64507	1.0
81.03333	17.3
81.06953	1.5
84.04444	1.7
84.08064	4.7
85.02831	11.1
86.09595	1.7
91.05396	1.4
92.10158	1.2
93.06972	1.3
93.94044	1.1
94.57490	1.0
95.08530	1.1
97.02820	4.7
98.97517	1.0
99.04391	6.0
104.06998	1.3
105.06956	1.5
107.08493	1.1
116.98556	4.5
117.05384	1.4
118.06464	6.1
120.08069	1.6
127.03880	1.8
134.99649	1.5
135.04362	1.3
145.04961	1.5
145.07552	9.9
147.09151	11.9
159.09027	1.1
163.03822	2.5
173.01184	2.3
173.07060	19.7
175.08607	6.6
191.08109	100.0
219.01608	1.5
237.02687	1.4
261.02740	1.3
307.12735	20.6
325.13422	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	325.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96969	1.1
51.55758	0.8
55.05464	1.6
56.96499	11.5
57.03373	4.6
57.61650	0.9
61.02857	1.7
67.05436	1.2
69.03355	10.2
70.06513	2.4
73.06470	1.1
81.03350	1.2
83.01327	0.9
84.04431	1.7
84.08071	6.4
85.02835	18.0
90.07346	1.0
91.05419	1.9
92.10919	1.9
97.02827	5.2
98.97530	3.8
100.11194	1.8
103.03907	1.0
109.10094	1.6
110.07108	1.6
116.98573	8.5
127.03872	7.0
134.99605	6.4
137.92256	1.0
141.02187	1.1
145.04922	2.5
146.99577	1.1
151.03795	1.0
153.00728	1.7
157.01736	1.7
159.03281	4.7
164.07108	1.1
177.00731	1.3
177.04315	1.8
184.02765	11.3
197.05980	7.5
199.07526	1.3
202.03908	9.6
215.06960	10.1
217.08624	5.7
223.75934	1.0
235.09607	4.3
237.02771	1.5
238.10965	1.2
261.02820	1.4
263.10599	5.1
265.12149	16.2
281.11584	1.7
283.13239	73.0
301.14316	100.0
302.14334	1.8
306.14966	1.1
324.15945	2.1
325.14297	42.6
343.15366	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	2.2
54.06533	1.9
55.01805	4.2
55.05454	8.9
56.96499	5.0
57.03370	26.8
61.02861	4.2
61.32992	2.1
61.57950	1.9
62.88842	2.3
69.03347	18.2
69.06956	2.5
70.06509	19.5
71.04897	13.7
71.08539	13.9
72.08062	3.2
73.02810	3.5
73.06468	4.6
75.17065	2.2
79.05401	10.8
81.03335	5.4
81.06980	67.1
83.04887	10.4
84.08066	9.2
85.02348	3.1
85.02822	58.3
85.06477	4.9
86.09641	3.1
91.28499	2.1
97.02829	13.1
98.97508	4.0
99.08002	31.1
109.02846	2.8
109.06468	48.7
109.26464	2.2
116.98582	8.5
117.09081	100.0
127.03873	10.7
127.07513	47.9
134.99619	8.4
145.04895	5.1
151.03917	5.1
160.78075	2.5
163.03879	3.0
163.09695	4.7
207.07547	24.9
219.01762	2.8
293.57886	2.7
307.12473	4.0
325.13681	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	325.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	2.2
54.06533	1.9
55.01805	4.2
55.05454	8.9
56.96499	5.0
57.03370	26.8
61.02861	4.2
61.32992	2.1
61.57950	1.9
62.88842	2.3
69.03347	18.2
69.06956	2.5
70.06509	19.5
71.04897	13.7
71.08539	13.9
72.08062	3.2
73.02810	3.5
73.06468	4.6
75.17065	2.2
79.05401	10.8
81.03335	5.4
81.06980	67.1
83.04887	10.4
84.08066	9.2
85.02348	3.1
85.02822	58.3
85.06477	4.9
86.09641	3.1
91.28499	2.1
97.02829	13.1
98.97508	4.0
99.08002	31.1
109.02846	2.8
109.06468	48.7
109.26464	2.2
116.98582	8.5
117.09081	100.0
127.03873	10.7
127.07513	47.9
134.99619	8.4
145.04895	5.1
151.03917	5.1
160.78075	2.5
163.03879	3.0
163.09695	4.7
207.07547	24.9
219.01762	2.8
293.57886	2.7
307.12473	4.0
325.13681	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	325.2112
Annotation	5,6-dehydro Arachidonic Acid
Peak:m/z	Relative Intensity
54.82270	3.9
58.39799	3.4
62.06002	5.5
67.05411	4.5
77.16211	3.4
91.13035	3.8
95.08537	5.9
108.30988	4.6
187.36426	4.5
197.01740	5.0
247.23218	4.0
282.73163	4.6
314.05566	4.2
325.21085	100.0
325.26889	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2372
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
51.25328	3.6
55.01806	3.8
55.05212	3.9
55.05433	35.3
57.07003	6.4
60.78841	3.9
62.27645	3.9
67.05425	28.6
69.03358	7.1
69.06981	42.2
71.08551	30.2
79.05402	24.9
81.06963	55.3
81.16824	4.3
91.05395	8.9
93.06971	28.6
95.04877	9.6
95.08517	38.1
97.06483	8.2
99.08047	6.8
105.06985	28.9
107.08525	21.5
109.06461	47.1
109.10125	17.0
119.08534	6.6
121.06505	7.7
121.10080	9.9
131.08553	6.7
135.07986	7.9
139.11197	7.0
163.14813	4.9
165.12721	78.5
181.15843	6.5
261.22092	30.5
270.63419	4.8
289.21585	40.4
307.22614	100.0
310.73843	5.6
320.82965	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	325.2732
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03881	4.2
55.01803	3.9
55.05458	36.0
57.07000	17.4
60.94208	2.4
65.03865	3.0
65.65422	3.1
67.05423	35.9
69.03331	5.4
69.06987	78.8
71.04890	5.0
74.64072	2.5
78.24323	3.2
79.05399	18.4
81.06976	95.0
83.04892	6.9
83.07786	3.0
83.08532	39.3
85.06466	13.0
91.05396	19.1
93.06437	5.5
93.06977	94.9
95.04893	100.0
95.08533	61.2
97.06445	12.1
97.10068	6.4
105.06977	22.2
107.08540	43.3
108.46220	2.9
109.06486	32.1
109.10103	35.1
111.08007	16.6
111.11650	5.1
119.08517	12.8
121.10123	23.7
123.07977	5.8
123.11668	22.1
123.14605	3.0
125.09515	3.5
127.07533	33.5
128.73119	3.3
133.10069	4.0
135.11621	7.0
137.13246	5.1
145.10071	4.8
147.11607	3.3
149.13219	12.9
289.25168	7.0
307.26318	5.9
325.27292	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2733
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
50.60237	1.1
53.03872	1.3
55.01804	4.4
55.05224	1.2
55.05451	23.5
57.03352	1.2
57.06998	7.8
60.62151	0.9
65.03863	1.2
67.05424	35.9
69.03346	3.0
69.06985	46.5
71.04887	5.5
76.74734	1.2
79.05402	17.4
81.06973	100.0
83.04894	21.0
83.08531	12.4
85.06465	15.2
91.05402	11.1
93.06966	34.6
95.04890	30.2
95.08530	69.2
95.09133	2.2
97.06467	11.9
97.06981	1.2
97.10089	6.2
99.08024	8.6
100.16719	1.2
101.05914	2.2
105.06976	17.5
107.08534	35.5
109.06451	10.1
109.10101	34.8
111.08038	2.3
111.11660	4.6
113.09593	1.7
117.06948	1.5
119.08540	12.4
121.09303	1.5
121.10104	17.4
123.07970	1.1
123.11662	15.6
125.09557	1.4
127.07548	12.4
131.08548	2.2
133.10074	8.2
135.11688	8.4
137.09563	1.7
137.13222	6.6
139.11143	2.3
141.09047	1.7
145.10097	4.9
147.11635	6.9
149.13190	7.3
151.11147	1.5
153.12758	1.5
159.11661	1.8
161.13170	2.7
163.14737	2.0
173.13118	1.8
175.14738	2.2
191.17986	1.7
215.17863	1.5
226.65283	1.2
265.25089	2.2
271.24167	2.0
277.25107	1.7
289.25089	4.8
307.26328	5.7
325.27283	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	325.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	18.6
55.05451	1.2
56.96509	0.8
57.07001	0.7
62.19919	0.5
66.17110	0.5
67.05421	1.0
69.03326	0.5
69.06985	1.3
79.05405	2.5
79.26262	0.5
81.06966	9.4
83.04878	1.0
83.08572	0.8
91.05421	0.7
93.06984	1.2
95.08515	1.2
99.06062	0.5
105.06967	1.3
107.08471	0.9
109.06486	4.0
109.10111	1.1
111.08027	100.0
112.08318	0.6
116.98532	1.1
119.08536	0.8
121.10090	1.1
134.99599	2.1
279.00555	1.0
289.17947	0.7
307.26102	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	325.2733
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.00232	2.1
53.03882	4.1
53.19114	2.1
54.30063	2.0
55.01805	5.0
55.05444	43.6
57.03357	6.4
57.07013	19.4
59.73535	2.4
67.05424	37.8
69.03349	3.6
69.06646	4.6
69.06984	67.5
71.04906	3.9
71.08540	4.1
76.98309	2.2
79.05413	25.5
81.06971	100.0
83.04895	12.0
83.08540	24.5
85.06480	4.2
91.05398	26.1
92.10892	2.9
93.06436	4.6
93.06975	84.8
95.04883	61.0
95.08528	52.8
97.06461	5.9
97.10078	4.8
99.08024	3.0
105.06963	22.1
107.04895	2.4
107.08537	39.7
109.06469	20.2
109.10105	31.6
111.08015	15.2
111.11669	3.6
119.08525	16.9
121.10099	23.1
123.11649	27.6
125.09679	3.7
127.07471	12.2
131.08566	2.9
133.10097	5.9
135.11662	11.8
137.13205	2.9
145.10103	4.2
147.11707	5.6
149.13216	10.0
163.11198	3.8
187.14743	2.5
289.17978	3.7
289.25104	4.3
307.26224	12.6
325.22604	2.6
325.27197	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	325.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95586	3.8
53.03906	3.8
53.64365	3.2
54.81266	4.7
55.01798	5.2
55.05452	51.6
56.05807	4.5
56.96507	14.6
57.07001	27.7
63.94114	4.3
67.05414	52.5
67.64359	3.9
69.03354	10.5
69.06981	73.1
71.04909	6.1
71.08559	4.6
79.05406	16.2
81.06976	100.0
83.08539	54.4
85.02852	6.9
85.06441	6.2
85.90379	4.4
87.14777	4.0
88.19177	4.5
91.05357	9.5
93.06957	39.1
95.04889	8.4
95.08528	84.9
97.06434	5.1
97.10092	10.5
98.97515	10.3
105.06973	41.5
106.07269	15.6
107.08532	37.6
109.06528	4.7
109.10107	69.1
111.08032	17.1
116.98576	26.2
119.08516	10.1
121.10098	62.5
123.11656	23.6
133.06454	9.6
133.10110	7.1
134.06779	8.8
134.99599	17.8
135.08009	19.4
135.11665	25.0
136.08376	6.5
137.05945	7.1
137.13268	7.8
145.10149	5.0
147.11650	4.5
149.13242	5.5
150.44254	4.1
181.12233	4.9
193.12196	6.3
224.06688	4.7
279.00543	8.6
280.17874	6.2
307.26385	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	326.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59841	0.7
53.03884	1.8
55.01806	1.8
55.05440	4.2
57.03379	6.8
61.02616	0.7
61.02856	12.2
67.59676	0.8
69.03343	19.6
71.04906	1.8
73.02818	4.5
81.03326	6.4
83.08545	16.2
85.02823	100.0
86.03153	0.9
87.04384	1.6
91.03868	4.6
97.02820	24.0
99.04362	6.7
101.09595	8.8
109.02801	5.4
113.21107	0.9
127.03870	18.0
145.04930	26.0
145.06075	1.2
147.10144	1.4
153.47298	1.0
163.05960	5.2
332.12503	1.1
342.58276	0.9
348.99020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	2.9
55.01818	3.4
55.05450	5.5
56.96497	0.9
57.03373	7.5
57.96029	0.4
59.04945	0.6
59.67649	0.4
61.02557	0.6
61.02857	11.9
61.46022	0.4
62.33670	0.4
69.03351	21.0
70.06516	0.7
71.04917	2.6
73.02836	4.7
76.00925	0.5
81.03337	9.1
83.01275	0.7
83.08541	14.7
85.02830	100.0
86.03147	0.5
86.09634	0.6
87.04401	4.2
91.03880	4.9
93.05812	0.4
97.02829	26.5
99.04375	3.7
101.09591	5.8
109.02824	8.1
110.06093	0.5
116.98584	0.4
119.10655	0.7
127.03883	18.2
145.04939	21.5
147.10127	0.9
147.94017	0.4
151.57188	0.5
163.05994	4.7
229.38478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	3.2
55.01820	3.0
55.05456	8.1
56.05755	0.3
56.96495	0.5
57.03128	0.5
57.03377	8.0
57.06994	0.5
59.04927	1.4
61.02858	13.1
67.05446	0.4
69.03349	21.7
69.06984	1.8
70.06515	2.5
71.04906	3.0
72.08051	0.3
73.02831	5.9
79.33218	0.4
81.03344	8.6
83.01244	0.5
83.08542	19.8
84.04427	0.6
84.08068	1.4
84.08903	0.5
85.02830	100.0
86.03137	0.4
86.09636	0.5
87.04393	2.5
89.13507	0.3
91.03878	5.3
97.02825	25.9
99.04395	4.8
101.02302	0.5
101.09592	9.0
107.54469	0.3
107.95310	0.4
109.02828	8.7
110.07162	0.7
119.10660	0.6
124.03906	0.7
127.03881	18.7
136.07565	0.4
145.04938	21.8
147.10110	2.7
163.05986	3.4
309.15567	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2323
Annotation	Dapiprazole
Peak:m/z	Relative Intensity
52.91441	0.9
55.05452	2.0
57.07002	1.6
57.89709	0.9
59.28243	0.9
64.47725	1.0
67.05423	6.9
68.67398	0.9
69.03347	1.5
69.06988	13.5
76.71725	1.0
79.05411	13.6
81.06973	11.8
83.04913	12.2
86.09628	100.0
91.05393	12.7
93.06967	24.4
95.04884	4.4
95.08545	6.5
97.06443	2.3
105.06953	8.4
107.08530	13.9
109.06448	2.7
114.37772	1.2
117.06964	2.6
119.08498	2.4
123.08006	1.2
130.80841	1.3
131.08517	2.6
132.10182	22.8
133.10060	14.3
135.08075	1.8
135.11653	6.6
138.54881	1.2
149.13216	5.8
153.12741	1.5
159.11632	2.6
176.97278	1.2
177.12735	2.7
202.55132	1.2
262.21710	2.2
308.22159	4.5
316.04639	1.2
326.23181	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	326.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01810	3.2
55.05453	34.2
57.07011	33.4
60.30146	2.7
67.05431	27.0
69.03338	4.9
69.06984	29.1
71.04903	3.6
71.08549	47.6
74.05993	3.4
75.36713	2.7
79.05411	31.6
81.06976	53.1
83.04904	5.5
83.08533	17.9
85.06469	19.6
89.20502	3.1
91.05411	16.7
92.45135	4.3
92.64835	3.2
93.06970	36.9
93.42043	3.1
95.04916	13.9
95.08537	39.1
97.06464	6.6
98.73283	3.1
99.08015	21.7
105.06974	15.7
107.08547	34.3
109.06474	16.5
109.10080	16.1
111.08053	4.1
119.08509	5.5
121.10104	15.3
123.08022	4.9
133.10091	5.4
135.07927	3.6
135.11601	4.0
137.09637	5.0
139.11127	4.7
141.08990	3.1
147.11668	5.9
149.13274	3.9
151.11230	3.4
153.12733	3.4
157.79468	3.3
165.09045	3.4
165.12733	44.6
175.14864	3.6
179.14233	5.1
193.15778	3.9
207.13828	6.6
218.21056	3.1
218.91330	3.2
235.16901	7.6
273.18362	4.4
291.19485	24.4
291.23135	89.9
298.78638	3.2
308.25851	100.0
309.24115	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	326.3052
Annotation	Oleoylethanolamide
Peak:m/z	Relative Intensity
53.00231	1.1
55.05455	15.2
57.07012	3.0
62.06017	100.0
62.51611	0.8
67.05433	8.4
69.06987	18.1
71.08572	1.0
79.05404	4.8
81.06972	7.7
83.08544	8.1
93.06974	4.9
95.08543	6.3
97.10103	4.0
106.75047	0.7
107.08558	3.9
109.10138	3.2
110.63924	0.8
112.51929	0.8
121.10091	3.5
135.11629	1.3
147.01308	1.0
148.95908	0.8
163.41167	0.8
172.99019	0.9
299.50739	0.8
308.29434	4.6
309.27869	4.7
326.30496	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	326.3052
Annotation	Oleoylethanolamide
Peak:m/z	Relative Intensity
52.81462	1.2
54.11817	1.1
54.29909	1.4
55.05442	1.4
56.06939	1.3
57.07014	20.0
59.10890	1.5
69.07007	1.9
70.06507	11.6
71.08557	11.5
81.06998	2.1
83.08539	1.8
85.10104	3.7
88.07555	100.0
95.08531	6.0
112.52505	1.5
145.75520	1.5
326.30533	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3051
Annotation	Oleoylethanolamide
Peak:m/z	Relative Intensity
55.05436	28.1
57.06999	40.4
67.05415	15.5
69.06964	10.2
70.93256	5.5
71.08533	43.0
81.06961	26.5
83.08542	11.0
87.20687	6.0
95.08525	30.5
96.71375	6.1
97.10085	6.8
107.08453	7.6
109.10093	8.5
114.82938	5.9
123.11590	7.9
173.35921	6.1
184.30293	6.9
254.68460	5.9
292.05194	8.2
326.30530	100.0
326.34055	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	326.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48958	0.8
52.50776	1.1
55.05445	1.3
57.07010	11.3
62.97213	0.9
68.88269	0.8
69.06988	1.9
69.42270	0.9
71.04877	1.2
71.08538	6.2
74.06009	1.4
83.08544	1.3
84.19741	0.9
85.10098	1.9
88.07548	15.9
102.09104	7.7
158.15407	1.2
161.99159	1.1
175.63713	1.0
184.42674	1.1
222.68777	1.1
256.26263	32.9
326.34103	100.0
327.34262	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	326.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05424	0.7
57.07009	10.3
58.02887	0.9
59.05700	0.6
60.08096	31.2
71.08532	4.0
77.95250	0.8
81.06956	0.9
83.61340	0.6
86.05991	1.4
89.92957	0.6
91.72421	0.6
91.88108	0.6
92.10331	0.7
102.09126	0.7
116.10666	1.3
130.12257	1.5
144.13806	0.7
165.15904	0.8
171.37347	0.7
192.39301	0.6
194.76631	0.7
197.09126	0.6
213.35147	0.8
266.79950	0.7
279.47635	0.7
314.52249	0.7
326.34100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89661	3.4
55.05458	35.5
57.03370	14.8
57.06998	7.0
58.32232	3.4
59.04919	3.6
67.05424	67.1
69.06981	39.8
71.04893	23.7
71.25725	3.5
73.45649	4.0
79.05409	51.6
81.06976	100.0
83.08541	8.7
91.05396	53.3
93.06969	79.2
95.04894	6.6
95.08539	69.2
97.06446	8.3
99.08002	4.9
105.06971	24.9
107.08525	51.4
109.10118	30.4
111.08018	5.5
112.52135	3.8
117.06968	6.8
119.08553	32.3
121.10090	34.4
131.08519	20.0
133.10101	27.8
135.11670	23.8
137.09631	4.3
139.11182	3.7
145.10089	6.4
147.11670	9.1
148.45345	4.1
149.13191	14.3
159.11633	8.9
161.13196	5.5
171.11670	4.9
173.13217	7.2
185.13321	6.2
187.14835	5.2
188.43625	3.7
220.32286	4.2
241.19518	4.6
250.71878	3.9
277.21637	6.9
282.43384	3.8
285.36554	4.5
291.23059	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	327.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00229	2.1
55.05453	26.2
56.83192	2.1
57.03377	18.5
57.07011	24.8
61.48707	1.9
65.69221	1.8
65.76001	1.8
67.05424	71.3
69.06984	34.5
71.04919	3.0
71.08534	25.6
74.05987	3.1
79.05396	10.7
81.06973	100.0
83.08530	18.6
85.10102	12.1
91.05396	4.8
91.17612	2.1
93.06953	10.5
95.08530	85.5
97.10091	12.6
105.07016	3.1
109.10114	39.4
119.08503	4.6
121.10128	4.5
123.11654	13.2
124.18043	2.4
125.13223	2.2
133.10088	3.4
137.13229	9.0
147.11653	4.0
207.21092	2.5
217.19427	3.3
229.17935	9.0
285.02200	2.7
327.25247	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	327.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00229	2.1
55.05453	26.2
56.83192	2.1
57.03377	18.5
57.07011	24.8
61.48707	1.9
65.69221	1.8
65.76001	1.8
67.05424	71.3
69.06984	34.5
71.04919	3.0
71.08534	25.6
74.05987	3.1
79.05396	10.7
81.06973	100.0
83.08530	18.6
85.10102	12.1
91.05396	4.8
91.17612	2.1
93.06953	10.5
95.08530	85.5
97.10091	12.6
105.07016	3.1
109.10114	39.4
119.08503	4.6
121.10128	4.5
123.11654	13.2
124.18043	2.4
125.13223	2.2
133.10088	3.4
137.13229	9.0
147.11653	4.0
207.21092	2.5
217.19427	3.3
229.17935	9.0
285.02200	2.7
327.25247	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	327.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18075	2.1
53.00243	2.6
55.05453	24.7
57.07011	24.9
67.05424	31.2
68.54888	2.6
69.06987	28.0
69.83578	2.5
71.04901	5.6
72.40662	2.3
73.06464	5.5
76.67456	2.5
79.05412	13.0
81.06979	80.7
83.08534	10.5
83.71128	2.5
85.06495	2.6
91.05422	3.3
93.06975	21.1
95.08536	100.0
97.10078	10.4
105.06989	4.6
107.08552	21.9
109.10114	40.7
111.08018	15.8
111.69141	2.5
119.08515	2.8
121.10139	4.0
123.11636	28.7
135.11653	6.0
137.13222	14.8
147.11601	3.2
149.13210	4.5
151.14784	11.8
163.14856	3.6
175.14801	2.4
291.26733	10.0
309.27808	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	328.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03868	1.5
55.01822	1.3
57.03367	5.3
57.67887	1.1
59.03668	1.8
61.02845	1.9
69.03351	16.8
70.02879	1.3
70.06509	2.9
71.04916	1.5
72.04442	1.3
73.02837	2.3
79.05413	1.7
81.03324	4.9
85.02833	16.8
87.03120	17.2
88.03924	1.4
91.05404	29.7
93.06905	1.6
96.04424	1.7
97.02831	18.5
97.05222	1.8
98.09595	1.5
99.04388	4.9
100.03878	4.8
101.02265	1.3
103.05417	16.8
103.07514	1.9
105.06981	20.3
107.04896	6.6
112.03916	13.6
115.03845	1.6
115.05393	1.3
117.06967	2.1
119.07284	1.9
120.08057	100.0
127.03880	9.4
128.06201	2.2
129.06947	2.2
130.06480	16.1
131.04906	7.3
132.08061	74.0
132.09058	2.8
134.09634	2.7
141.06905	1.5
143.05751	9.1
143.08510	5.4
144.08057	13.0
150.09096	1.6
156.08063	6.9
161.06810	7.3
162.09061	6.6
166.08618	21.2
168.08075	1.4
171.08012	2.4
174.09048	1.4
178.08617	7.6
186.09172	1.9
198.09077	9.7
202.08679	2.0
216.10051	1.7
244.09560	11.5
246.11179	9.3
264.09741	2.2
264.12283	39.0
282.13412	1.7
292.11719	33.4
310.12802	74.7
328.13806	2.2
328.22119	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	328.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35041	1.2
55.01810	2.2
55.05442	2.9
56.96495	3.5
57.03362	3.2
58.06528	3.1
59.03671	1.8
59.49097	1.3
60.08093	3.3
61.02833	1.6
64.43850	1.3
67.05415	1.5
68.04951	1.5
69.03342	7.5
70.06509	92.5
72.08054	6.0
79.05408	2.9
81.03311	2.4
83.32212	1.3
84.04430	2.7
85.02821	8.2
85.06447	1.8
87.03129	8.6
87.33120	1.4
89.49689	1.3
91.05399	18.4
95.04870	5.4
96.08066	26.4
97.02807	12.2
98.09622	29.1
99.04385	3.1
103.05398	10.5
103.07520	12.9
105.06972	6.7
107.04914	3.1
112.03171	1.5
112.03906	9.9
113.05940	3.2
115.05453	2.2
117.06936	1.9
119.07277	1.6
120.08056	39.4
124.07567	23.7
124.11162	1.8
127.03868	5.9
129.06995	2.8
130.06502	6.8
131.04861	2.4
131.97241	1.4
132.08057	49.4
140.06931	1.9
142.08607	20.7
143.05753	3.0
143.08575	2.2
144.08034	2.8
144.10083	1.7
149.08046	1.9
151.12192	1.9
152.07091	2.6
154.08548	1.8
156.08107	2.0
162.09132	1.9
166.08606	7.2
168.08990	10.9
170.11600	2.0
171.07921	1.9
178.08582	8.1
195.14897	17.7
198.09097	3.4
211.53232	1.6
223.14388	17.1
229.15439	10.1
241.15359	11.4
244.09708	2.3
246.11125	6.6
248.69437	1.7
264.12317	17.8
269.14804	13.1
270.11719	1.4
292.11646	20.5
310.12772	32.9
328.14087	4.8
328.22241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34260	2.4
51.74620	2.3
53.03883	6.4
54.81522	2.7
55.01807	5.5
55.05451	45.8
55.85856	2.3
56.40614	2.2
57.03365	11.9
57.07010	2.7
60.19016	2.3
61.52354	2.4
64.32977	2.5
65.03853	5.5
67.05429	93.2
69.03349	12.4
69.06990	35.0
71.04903	12.5
76.55824	2.9
79.05408	100.0
81.03330	11.8
81.06977	98.1
83.04908	7.0
83.08530	15.4
85.02834	2.9
91.05404	86.6
92.10381	3.7
93.06976	97.1
95.04903	37.4
95.08530	66.1
97.06480	22.0
97.10118	6.8
98.98392	7.0
105.06981	62.3
107.04881	4.3
107.08550	41.7
109.06480	14.3
109.10133	23.6
111.08028	5.9
117.06999	25.0
119.08531	43.5
121.06452	3.8
121.10121	28.7
123.08057	4.4
123.11650	3.5
129.06931	6.6
131.08548	28.2
133.10098	26.5
135.07986	3.8
135.11685	15.2
137.09587	6.1
138.00551	2.8
139.42834	2.7
143.08569	6.3
145.10126	14.5
147.11662	14.5
149.09630	6.2
149.13200	3.9
154.55717	3.1
157.10106	3.3
159.11737	4.1
161.13231	4.0
163.11148	3.8
165.12700	3.0
173.11749	5.5
235.16873	11.2
275.20041	16.5
293.20914	4.4
313.64526	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	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	3.5
54.34169	1.5
55.05458	28.0
57.03359	14.1
57.06987	1.9
60.40636	1.9
60.40965	2.0
65.03877	2.4
67.05431	46.8
69.06993	16.0
71.04896	13.2
71.49042	2.6
71.79417	2.1
72.71723	2.0
79.05412	68.9
81.03306	2.3
81.06976	45.9
83.04892	3.1
83.08524	12.0
85.06461	5.2
85.91976	2.2
91.05403	83.7
93.06976	100.0
95.04864	12.7
95.08537	36.2
97.06472	2.5
97.10073	2.5
105.06971	61.0
105.86040	2.0
107.08537	59.3
109.06438	9.5
109.10078	4.4
111.07995	3.0
117.06950	19.2
119.08537	44.7
120.36795	2.1
121.06472	2.7
121.10085	13.2
123.08029	4.4
125.09571	2.2
129.06949	9.2
131.08548	17.3
133.10129	19.0
141.06906	2.4
143.08580	3.8
145.10092	16.4
147.11630	11.0
149.09560	2.0
157.10045	3.7
159.11649	12.9
161.13193	9.4
173.13213	3.0
185.13226	16.3
198.95473	2.2
203.14334	2.3
215.02361	2.2
221.15370	8.8
224.61630	2.0
235.16991	3.1
236.00223	2.5
257.18784	2.9
259.00946	2.8
275.19937	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	328.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05463	4.8
57.07010	35.5
62.19405	2.5
64.67179	2.5
67.05414	10.0
69.06976	3.8
70.02565	2.2
71.08538	23.4
81.06964	15.1
83.08547	2.7
85.10094	10.4
90.05482	100.0
95.08505	13.6
97.10048	2.8
109.10078	4.6
200.92995	2.9
214.87398	2.9
216.31641	2.5
250.89053	2.6
268.36688	2.8
296.56049	2.9
310.31131	3.1
328.25888	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	329.1493
Annotation	H-Tyr-Phe-OH
Peak:m/z	Relative Intensity
55.05460	0.5
56.46852	0.5
56.96492	0.9
60.42831	0.5
65.03844	0.6
66.59205	0.6
67.05421	0.8
69.03324	0.5
70.06187	0.5
70.06502	5.6
72.08071	2.3
73.02805	0.8
79.67979	0.5
84.04411	1.4
84.08063	2.6
85.94541	0.6
86.09637	1.2
86.60949	0.6
91.05403	43.9
95.04871	0.6
98.97485	0.7
107.04897	3.5
109.06477	1.2
110.07158	0.7
116.98601	0.9
117.05753	0.6
118.06496	1.2
119.04075	1.2
119.04895	29.9
120.08053	13.8
121.06439	1.3
132.08040	1.5
136.07550	100.0
146.05978	3.2
147.04378	1.5
153.87411	0.6
166.08594	2.4
229.15492	0.8
252.31157	0.6
284.12537	0.8
329.15643	4.6
329.19019	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81465	2.1
55.05443	14.0
57.07001	14.9
61.02841	3.4
67.05411	11.6
68.99702	25.4
69.06978	14.1
79.05394	3.1
81.06959	10.8
83.08524	5.0
87.00758	2.3
93.06953	5.3
95.08521	12.6
104.99201	2.9
105.06996	2.7
109.10105	4.6
111.00764	22.6
121.10143	9.8
129.01802	100.0
129.99394	2.7
132.77586	2.2
135.11664	4.9
139.00221	23.2
152.28520	2.2
157.01308	26.7
185.08031	10.2
186.90706	2.6
235.45935	2.4
246.28877	2.8
311.31317	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	329.2684
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
54.81850	2.5
55.01799	6.1
55.05452	87.6
57.03370	30.5
57.07012	42.9
61.19920	2.8
63.75161	2.7
67.05428	48.5
69.06988	100.0
69.08919	2.5
71.08553	17.9
73.02852	3.4
77.19379	2.7
79.05408	39.9
81.06969	51.8
81.89650	3.4
83.04884	4.6
83.08540	61.1
85.10073	5.0
91.05432	4.9
93.06983	39.6
95.08532	38.7
97.06459	17.5
97.10104	29.7
103.03869	6.7
107.08542	20.3
109.10118	16.0
111.08019	7.2
111.11663	3.5
113.72755	3.1
119.08538	4.4
121.10100	39.2
123.11642	11.7
125.09587	3.5
127.07688	3.2
129.05406	3.3
134.99602	2.9
135.11655	22.3
139.11195	3.8
144.76347	3.0
149.13275	5.1
149.64442	2.9
184.35707	3.3
214.49829	3.3
219.21056	13.9
237.22147	12.5
311.25769	23.9
317.10992	3.6
329.26770	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	1.8
53.21551	1.7
55.01819	3.0
55.05446	23.0
57.03359	2.2
57.07005	13.5
67.05076	3.4
67.05429	86.8
69.06985	20.6
71.08547	26.7
79.05415	21.6
79.20317	2.0
79.43946	1.7
81.06507	3.7
81.06977	100.0
83.04867	2.6
83.08530	14.3
85.06496	2.4
85.10113	19.2
91.05409	19.9
92.10336	2.3
92.69400	1.8
93.06969	20.9
95.04891	3.4
95.08539	70.0
97.06442	3.0
97.10125	2.9
99.08028	18.5
105.06950	13.9
107.08561	14.0
108.08054	1.8
109.06429	3.7
109.10104	21.7
111.07990	3.8
113.09588	13.8
117.06980	1.9
118.41479	2.0
119.08537	8.0
121.10089	12.5
123.11651	3.7
131.08549	9.1
133.10118	14.3
135.11642	11.1
137.13278	2.6
145.10152	2.7
147.11671	10.8
149.13211	9.8
151.14848	2.6
159.11528	2.6
161.13234	3.7
163.11156	2.6
173.13184	3.7
199.76685	2.2
209.15370	2.3
261.22061	5.0
279.23135	33.3
293.24811	4.4
321.93958	2.2
334.49121	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	330.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99269	0.2
54.03397	0.7
54.81552	0.3
56.96495	0.5
57.03376	0.3
57.98168	0.2
59.20316	0.3
61.01073	0.3
65.03864	0.6
69.03342	0.4
70.06518	2.0
72.08076	0.3
73.02810	0.4
80.04918	0.7
81.04460	17.4
84.04418	1.2
85.02815	0.5
87.02604	0.4
93.04449	1.3
97.01029	0.3
97.02805	0.4
98.97486	0.4
99.02602	1.7
105.03722	0.4
110.07092	1.7
116.07027	0.4
122.07104	55.5
123.07405	0.5
132.04454	0.3
134.99615	0.4
145.07655	0.3
150.05467	0.6
159.84647	0.3
160.86226	0.3
177.04887	1.4
178.05557	21.1
179.06175	0.6
181.21895	0.3
190.05566	10.5
191.06311	6.5
197.09460	0.4
203.06343	1.5
209.07405	100.0
210.07721	1.9
221.07399	23.5
222.07675	0.6
223.02243	0.3
223.04210	0.4
249.11281	0.6
272.08517	1.3
281.08435	2.2
282.09302	2.6
313.11136	15.4
330.13806	14.6
338.92151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	3.8
55.05452	13.1
57.07006	11.4
57.63592	2.0
59.42852	1.5
59.99504	1.7
67.05434	24.2
69.06994	20.2
71.04902	10.9
71.08549	100.0
79.05404	19.2
81.03317	1.9
81.06973	23.3
82.07319	1.7
83.04911	2.0
83.08537	8.4
85.10108	2.7
91.05399	11.7
93.06966	21.0
95.04890	2.3
95.08527	32.3
97.06483	3.9
97.10089	3.9
98.75330	1.8
99.08025	61.0
105.06976	9.9
107.08534	7.8
109.06532	2.6
109.10104	6.8
113.09586	3.9
119.08538	9.0
121.10130	15.1
131.08522	3.4
133.10080	4.3
135.11674	3.8
147.11687	4.3
161.13326	3.3
197.15347	10.8
215.16403	2.5
268.29968	2.7
277.21594	23.8
278.48325	2.1
291.08682	2.3
295.22672	34.0
296.72891	2.1
317.57111	2.2
321.64325	2.0
330.33545	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	330.3
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74951	0.5
53.41046	0.5
53.78400	0.5
55.05440	4.9
55.55426	0.6
56.04755	0.6
56.04975	8.2
56.96521	0.9
57.07002	3.4
58.06525	1.2
60.04158	1.0
60.04456	23.0
61.38063	0.5
67.05420	3.1
69.03307	0.6
69.06976	5.3
70.06495	1.1
71.08538	1.1
72.04427	2.6
73.79325	0.6
74.05989	100.0
75.78973	0.6
79.05405	1.4
80.04781	0.7
81.06972	3.5
83.08530	3.5
86.05970	2.6
86.09628	4.9
91.05363	0.7
93.06967	1.1
95.08542	4.9
97.10094	1.1
98.66768	0.7
102.09122	1.2
104.10688	4.3
104.88508	0.6
113.83356	0.6
116.98462	1.1
117.88238	0.7
124.99951	2.8
130.08585	1.2
131.00063	1.1
138.52928	3.7
159.38190	0.6
184.07309	4.8
240.09895	3.4
282.27930	3.0
300.29025	0.8
312.28876	1.1
330.29965	13.3
330.33542	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	330.3365
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
51.76880	0.5
51.84218	0.4
52.76100	0.5
56.35159	0.5
57.07011	13.4
58.06538	1.0
70.06509	26.3
71.08540	4.7
73.50710	0.6
74.06012	0.5
75.44176	0.5
83.57995	0.5
84.68369	0.5
85.10120	1.1
85.62280	0.5
88.07552	28.0
88.73397	0.5
89.86016	0.5
92.10849	1.0
102.09128	7.7
105.93994	0.6
106.08605	14.5
110.47707	0.8
161.39795	0.7
205.02486	0.6
219.68515	0.7
286.31079	0.8
312.32581	7.6
330.33603	100.0
331.34155	4.3
337.04730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0809
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
51.01232	0.4
51.22728	0.4
55.44940	0.4
65.37883	0.4
67.05441	0.7
81.07000	0.5
93.06920	0.6
95.08567	0.6
101.46407	0.5
153.01794	3.3
154.02638	1.0
171.02940	0.7
178.02614	0.7
203.03336	0.6
213.05464	0.9
229.04987	0.7
241.05040	1.1
242.05748	9.7
258.05197	10.0
259.05438	0.6
269.04425	2.1
270.05154	21.4
273.03726	5.4
285.03998	0.9
286.04648	1.8
287.05426	12.3
299.05301	1.9
299.50238	0.5
301.03329	5.2
302.04129	8.5
313.00275	0.6
313.03329	4.1
315.04919	100.0
316.05621	6.5
331.04794	4.0
331.08038	91.5
332.08298	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	331.136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04117	0.7
51.48989	0.6
55.05450	1.6
56.96498	1.2
59.13929	0.6
67.05431	1.1
69.03340	1.8
70.06508	6.8
71.04882	1.7
72.07776	0.7
72.08078	12.4
84.04438	3.5
84.08075	3.2
85.02849	5.9
86.09620	1.5
91.05414	1.0
97.02828	0.7
109.06485	0.9
116.98565	3.2
127.03944	0.9
134.99605	1.0
151.03877	11.7
159.09114	1.0
167.51724	0.8
169.04933	1.3
169.08325	10.7
171.70375	0.8
185.04221	7.5
203.05263	6.5
255.45749	0.8
331.13568	100.0
332.13776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	3.2
55.05450	6.3
56.04970	3.7
56.96505	7.7
57.03365	20.0
57.07022	3.3
61.02838	3.2
69.03344	86.5
69.03697	4.9
69.06982	4.7
70.06504	27.3
71.04906	84.2
72.08058	20.2
75.04382	5.5
75.82648	2.9
81.03311	3.2
83.04899	5.0
84.04431	17.1
84.08070	12.6
85.02825	100.0
85.10117	2.9
86.09625	27.4
87.04406	4.1
91.05413	5.4
95.04880	11.9
98.97505	6.3
107.08516	3.3
109.02858	5.6
110.03589	3.9
111.04442	3.8
116.07039	12.4
116.98549	4.7
119.65515	2.9
125.05946	11.8
127.03839	22.6
129.05420	14.7
134.99625	5.4
137.05984	5.6
139.07503	4.7
143.23683	3.1
149.05972	3.8
151.03902	13.6
152.04611	4.5
153.05408	13.4
155.03459	3.2
163.03935	4.1
166.06236	6.3
167.06998	7.3
170.05745	35.7
177.05502	5.7
178.06221	23.7
179.03363	7.4
181.08475	3.2
182.05702	51.6
185.08112	25.9
191.06949	12.8
192.07750	4.3
194.05676	23.3
195.06409	3.9
197.08067	36.2
206.05603	3.7
209.08037	16.9
219.06459	6.8
220.07278	5.8
227.09000	5.2
251.09090	7.6
277.10681	19.4
296.46368	3.0
303.72824	3.5
320.37241	3.2
331.15396	4.7
331.21063	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	331.284
Annotation	1-Monopalmitin
Peak:m/z	Relative Intensity
53.00253	2.5
55.05214	1.1
55.05445	12.0
57.03367	8.1
57.07012	100.0
61.83150	1.1
64.44386	1.2
64.52835	1.3
67.05425	21.7
68.50733	1.3
69.06989	12.4
69.98240	1.2
71.08179	2.7
71.08548	49.5
74.09693	1.3
75.04389	1.6
79.05409	2.5
79.07803	1.5
81.06975	23.5
83.08531	14.6
84.61091	1.6
85.10103	20.2
86.09640	1.4
93.06968	1.7
95.08530	32.9
96.32007	1.6
97.10099	2.8
109.10096	14.1
123.11661	6.2
127.03841	2.4
131.27412	1.5
142.67746	1.5
144.81337	1.4
185.64951	1.7
239.23697	11.2
257.24780	2.0
313.27274	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	1-Monopalmitin
Peak:m/z	Relative Intensity
51.86474	1.1
52.20794	1.3
55.05446	13.8
57.03377	6.4
57.07013	100.0
63.90797	1.4
64.33939	1.7
67.05425	24.4
68.04638	1.6
69.06985	15.6
71.08545	64.2
75.04394	2.0
79.05420	2.0
81.06974	36.4
83.08537	17.2
85.10106	33.7
95.08536	44.5
97.10079	10.3
98.27261	1.4
103.00356	1.5
108.74979	1.3
109.10110	21.8
116.50118	1.3
123.11646	7.2
137.13239	2.5
143.13399	1.5
152.51295	1.4
164.88918	1.5
174.37201	1.4
221.75029	1.5
239.23726	18.0
248.12901	1.6
257.24622	2.7
280.70398	2.0
313.27307	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	1-Monopalmitin
Peak:m/z	Relative Intensity
53.00245	1.7
53.11511	1.2
53.32245	1.2
55.05449	15.8
57.03369	6.7
57.07014	100.0
67.05426	23.4
69.06987	13.1
69.07300	1.2
69.28133	1.8
70.54305	1.4
71.08185	2.9
71.08549	60.7
75.04364	1.8
81.06985	24.8
83.08537	14.8
83.82913	1.5
85.10106	23.3
89.05922	1.7
95.08538	33.6
97.10075	7.1
100.85841	1.5
109.10102	10.8
123.11654	2.4
127.03906	4.0
131.88089	1.5
239.23653	14.4
257.24728	6.3
313.27365	37.8
317.00528	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	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72174	0.8
53.00245	1.4
55.05456	14.1
55.19965	0.9
57.03376	7.8
57.07013	100.0
58.06539	1.1
67.05431	22.2
69.06990	12.9
70.06508	10.2
71.06849	1.0
71.08546	56.8
73.98579	0.9
81.06973	22.7
81.67481	1.0
83.08552	13.2
85.10108	24.6
88.07552	11.8
89.61455	1.1
93.06964	1.3
95.07961	1.9
95.08532	38.1
97.10112	7.6
102.09117	5.5
102.78941	0.9
103.96596	1.0
106.08617	6.8
109.10106	13.2
113.69433	1.0
123.11689	5.4
123.25270	1.2
137.13188	1.5
239.23701	10.7
257.24719	1.3
301.49384	1.1
312.32391	1.6
313.27295	29.7
313.32883	1.6
330.33652	28.7
331.33972	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	1-Monopalmitin
Peak:m/z	Relative Intensity
51.41177	2.4
55.05448	15.2
57.03362	2.8
57.07013	100.0
67.05434	38.0
69.06995	20.3
71.08551	62.9
81.06983	38.0
83.08538	14.4
85.10110	28.1
95.08533	50.3
97.10098	6.4
109.10097	13.9
123.11619	4.7
161.82599	2.4
221.14354	3.5
239.23732	12.1
257.24716	4.0
313.27341	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1338
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03893	0.4
55.01812	0.6
57.03359	2.1
61.02867	3.2
64.22231	0.4
65.03854	0.7
65.69797	0.4
67.05426	1.9
69.03057	0.5
69.03361	7.5
71.04910	0.7
73.02818	2.4
73.04376	0.4
79.05397	0.9
81.03313	2.4
85.02827	7.2
87.04394	2.3
91.03813	0.5
96.08078	0.8
97.02820	2.7
99.04399	0.5
106.06493	6.0
106.20937	0.4
108.08064	100.0
109.02845	1.1
109.08408	0.6
114.09112	0.5
117.71178	0.5
123.06772	5.8
124.07556	20.0
127.03809	0.8
134.05981	28.3
136.07550	10.9
144.05066	0.4
149.54250	0.4
152.07045	99.5
153.07611	0.4
154.08577	1.0
156.87225	0.4
160.13312	1.0
163.90794	0.6
170.08110	16.1
173.13905	0.8
205.63611	0.5
314.12289	19.7
332.13345	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1337
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
52.03739	0.3
53.03884	0.4
57.03363	0.7
61.02853	2.1
65.03855	0.6
66.24450	0.3
67.05409	2.4
69.02995	0.5
69.03346	7.7
70.23888	0.3
71.04916	0.4
73.02827	2.1
79.05396	0.7
81.03324	1.7
81.06965	1.3
85.02821	8.1
86.09631	0.5
87.04385	1.8
91.03910	0.4
93.05761	0.5
96.08081	0.8
97.02823	3.3
99.04330	0.5
106.06501	4.2
108.08061	100.0
109.02838	0.7
113.10712	0.5
114.09094	0.7
123.06735	3.8
124.07545	21.0
127.03863	1.5
134.05983	29.7
136.07556	10.6
145.32416	0.4
150.05554	0.5
152.07042	90.7
153.07417	0.5
154.08614	1.5
160.13309	1.9
170.08078	17.5
173.13985	1.3
314.12274	17.0
332.13330	32.8
333.13544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00235	0.7
53.97980	0.6
55.05439	1.0
57.07009	10.1
58.07331	0.7
59.16658	0.5
63.16494	0.5
67.05431	3.6
69.06984	1.4
71.08540	5.1
72.08043	4.9
79.05394	5.5
81.06968	3.3
85.10077	1.0
88.07500	0.6
95.04857	0.9
95.08511	5.8
97.10153	0.7
98.05974	1.6
103.05406	3.3
105.06972	100.0
106.07343	1.0
109.10119	2.3
122.09621	14.8
139.02629	0.7
202.50934	0.8
218.43622	0.7
273.87250	0.7
309.85529	0.6
332.29385	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00254	0.8
55.05457	0.9
56.04726	0.9
56.04979	18.7
57.07010	17.7
58.06534	9.4
60.04449	5.6
64.21043	0.6
68.04958	0.8
69.06983	1.1
70.44373	0.6
71.08549	10.5
74.05599	0.9
74.05998	17.0
74.70640	0.7
85.10101	4.6
86.05999	0.9
88.07558	77.1
95.08530	1.2
104.07030	1.5
116.47353	0.8
118.08604	12.3
122.08122	9.2
173.93561	0.8
185.67978	0.8
270.27701	1.0
284.29434	55.6
285.29803	1.1
314.30502	3.3
332.31534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28331	3.0
55.05446	5.5
56.96500	9.6
57.07027	30.3
58.06533	6.3
59.11650	3.6
67.05425	32.1
69.06978	8.7
69.31899	3.9
70.06509	45.4
71.08545	18.2
78.86646	3.4
79.05415	6.5
81.06975	40.8
83.08525	3.7
85.10100	7.7
87.04385	18.3
88.07556	52.5
91.05385	6.3
93.06962	6.3
95.08537	34.7
97.06454	4.9
98.97470	4.7
99.08020	5.7
102.09105	23.2
105.06950	4.2
107.08496	5.0
109.10126	5.3
113.09606	7.9
116.98560	18.2
117.47671	3.8
121.10147	8.3
133.10056	6.0
134.99612	7.4
135.11604	4.2
140.21977	3.3
147.11679	4.9
149.13187	4.5
153.37964	3.6
163.11172	4.1
163.88321	3.9
172.36380	3.9
181.48360	5.2
247.23891	3.5
270.27814	79.6
278.98621	4.2
279.23163	37.9
332.31607	100.0
333.20294	23.1
337.39288	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	333.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04967	22.0
56.96480	19.7
60.24332	13.8
64.97704	14.6
70.06505	92.7
70.73968	17.4
72.08077	19.9
77.68291	13.8
83.06020	35.6
84.04425	80.3
84.08055	30.7
86.09608	70.3
97.31653	15.8
98.97505	25.5
110.07099	24.7
116.98525	19.1
130.06531	51.0
132.08014	27.0
134.38341	16.4
134.99620	27.1
137.05945	20.7
146.06001	23.2
167.07018	18.9
170.33112	19.5
216.11748	18.5
333.09387	100.0
333.15039	22.0
340.90881	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	333.1176
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
50.11064	0.3
53.03864	0.5
55.01799	2.2
55.05434	1.0
56.96504	4.4
57.03374	1.6
60.04447	0.8
61.02850	1.7
65.03536	0.5
65.03864	11.6
67.05423	1.6
68.99714	3.5
69.03344	3.2
71.04865	0.4
73.02799	0.9
79.05431	0.8
81.03326	3.2
83.04891	8.6
84.04467	0.5
84.08052	0.5
84.95965	0.6
85.02824	6.4
86.09621	5.5
91.05388	0.4
92.10323	0.6
93.03325	4.0
95.04873	0.7
97.02814	3.7
98.05974	0.5
98.97505	0.8
99.04333	0.6
103.05382	0.5
105.94270	0.5
107.04899	3.4
109.02830	0.6
111.04384	62.9
112.04745	0.4
116.98562	2.3
121.02802	0.8
121.03950	3.6
121.06456	0.6
123.04353	1.7
125.05852	0.5
125.30499	0.4
125.62992	0.4
127.03887	0.9
127.05006	0.8
128.98590	0.6
135.04361	0.9
139.03871	100.0
143.00104	0.9
143.11758	0.5
146.03563	0.4
146.99637	0.7
147.04417	1.0
149.05949	0.5
161.01161	2.7
162.99124	0.6
163.03854	1.9
165.01772	0.7
171.06476	40.1
173.12782	0.7
177.00644	0.8
177.05438	0.8
183.06535	2.0
189.00818	0.5
191.03624	0.5
192.04276	0.6
205.00185	0.5
207.06511	2.5
219.01744	0.8
222.05165	0.7
237.02722	0.6
237.07581	0.9
268.00348	0.5
297.09625	0.5
333.08099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	5.4
55.05451	13.8
56.04973	19.0
58.99519	9.3
67.05429	28.9
67.16270	3.1
69.06986	7.9
74.00573	4.7
74.37067	3.5
76.02145	4.4
79.05412	14.9
81.06982	6.8
83.06005	3.1
83.08558	4.5
84.04442	8.3
86.00580	61.0
86.98982	8.2
87.02610	3.7
91.05402	20.6
93.06972	21.7
94.06525	3.8
95.04895	4.5
95.08543	16.3
97.01044	41.9
97.06500	3.8
99.02596	4.4
100.11196	7.3
105.06994	6.6
107.08539	4.2
109.06462	5.1
109.10099	28.4
116.01623	43.6
119.08543	16.2
120.54463	3.9
121.10093	3.8
135.08130	4.8
137.09616	9.3
149.76450	3.3
154.12257	19.5
169.06798	5.3
184.13310	18.8
195.08340	5.5
212.11020	59.2
212.12762	9.7
223.76927	3.6
230.12051	24.2
230.13997	18.1
240.10497	8.2
276.58820	3.3
288.09476	3.7
308.35678	4.7
333.14682	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42306	2.0
56.96503	4.5
70.89523	2.1
84.86674	2.2
88.07507	2.3
91.05371	2.7
93.06996	2.2
94.61620	2.4
95.13388	2.0
98.97509	5.7
101.34048	2.3
116.98580	9.3
134.99622	5.8
137.05920	3.2
157.30742	2.3
188.10579	2.6
238.03169	2.7
296.97165	2.7
332.31570	3.3
333.20282	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2632
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
53.03880	1.1
55.01803	4.5
55.05453	28.8
56.74384	0.6
57.03367	4.4
57.07002	4.0
59.04918	0.7
65.03854	1.6
67.05430	92.2
69.03351	1.3
69.06989	40.8
69.67859	0.6
71.04896	8.0
73.06454	1.1
74.16163	0.6
75.83208	0.6
78.26301	0.6
79.05408	30.9
81.06976	100.0
82.07303	0.7
83.04903	5.7
83.08537	12.9
85.06462	5.4
91.05406	11.2
93.06972	34.4
95.04881	3.4
95.08533	83.9
97.06470	7.8
97.10093	10.3
99.08018	0.9
105.06988	10.7
107.08539	24.1
107.26812	0.8
109.06467	1.7
109.10107	38.5
111.08033	3.1
113.09619	0.8
117.06953	3.1
119.08538	9.9
121.06529	0.7
121.10097	19.6
123.08064	1.0
123.11642	13.6
125.09590	1.4
131.08514	6.3
133.10098	6.1
135.11662	13.0
137.13216	4.5
139.11185	1.1
145.10088	5.2
147.11620	6.5
149.09610	0.8
149.13196	5.3
151.11156	2.5
153.12744	1.5
159.11687	3.0
161.13245	4.4
163.11235	0.7
163.14798	1.1
165.12694	0.9
173.11758	1.2
173.13214	4.5
175.14822	0.8
179.14330	2.6
181.12251	0.7
187.14642	1.7
209.15297	1.1
213.66986	0.8
227.51988	0.6
231.14020	0.7
243.21091	4.8
261.22067	15.0
279.23126	47.6
280.23676	1.1
297.24261	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	334.1394
Annotation	Oglufanide
Peak:m/z	Relative Intensity
54.81860	1.0
56.04966	4.7
56.96504	1.7
57.05280	0.8
59.74789	0.8
60.16871	0.9
64.16555	0.9
69.03349	1.1
70.06501	8.4
78.59074	0.8
84.04427	66.8
84.08087	3.4
85.02832	4.7
85.06476	0.9
86.09660	1.1
88.03960	1.1
98.97501	1.3
102.05492	10.3
110.07152	1.6
111.05537	4.0
115.05402	1.6
116.07035	1.3
116.98592	1.7
116.99926	0.9
117.06981	0.9
118.06466	14.5
120.08060	2.1
125.07068	10.5
130.06496	63.1
132.08047	32.2
134.99599	2.2
139.05032	4.8
139.60327	0.9
142.06519	4.8
144.08052	13.5
146.05991	71.7
147.06377	1.1
152.55989	0.9
153.06592	6.2
158.06036	1.6
158.08340	1.2
159.09126	25.6
159.10310	1.4
159.93179	1.0
160.07547	2.1
162.05487	4.6
169.07593	4.7
170.05959	17.9
187.08632	6.6
188.07037	100.0
205.09657	10.6
224.08150	1.4
225.10210	9.5
242.28368	1.0
252.11307	2.0
253.09760	1.8
270.12314	22.8
273.28543	1.0
280.10696	1.4
298.11807	5.9
316.12823	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	334.1398
Annotation	Oglufanide
Peak:m/z	Relative Intensity
53.03894	0.4
56.04977	2.8
56.96500	0.8
64.21632	0.4
67.05408	0.6
70.06506	2.1
72.08075	0.5
73.34229	0.4
82.35647	0.4
83.37247	0.4
84.04430	48.4
84.08051	0.8
85.02850	0.7
86.09630	2.5
91.05389	0.9
98.97520	0.9
102.05482	1.0
110.07096	0.6
115.05417	0.8
116.98613	0.5
117.05679	0.8
117.06972	2.0
118.06492	32.3
119.04963	0.5
122.67968	0.5
124.03831	0.5
130.04973	7.0
130.06480	6.1
132.08054	12.4
142.06494	3.7
143.07272	3.7
144.04388	0.8
144.08066	19.5
146.05989	100.0
147.04401	4.5
147.06319	0.8
159.09149	16.6
160.07533	2.4
169.07573	0.8
170.05984	9.9
174.25868	0.4
180.08084	0.7
188.07033	97.7
189.07379	1.7
204.10158	0.7
205.09669	18.6
216.62634	0.5
225.10208	15.4
260.39047	0.5
271.10727	1.0
294.22894	0.5
317.11249	3.2
334.13782	7.6
334.21045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00225	4.1
55.05458	7.5
55.24369	4.0
57.06999	22.3
67.05423	7.9
69.06989	10.1
71.08548	10.7
72.04429	100.0
73.25023	3.9
79.05421	5.3
81.06963	30.8
83.14420	3.7
85.08955	3.9
91.05403	7.8
93.06975	18.6
95.04881	34.1
95.08530	31.6
105.06950	8.1
107.08534	8.1
109.06463	37.1
109.10101	5.3
114.09087	7.1
116.98579	8.9
121.10095	6.1
128.10640	6.6
128.53131	4.4
131.08543	6.0
133.10071	6.8
135.07994	6.6
151.76038	4.3
165.12698	93.3
210.92949	5.3
233.36423	5.3
236.20032	10.4
289.21674	6.0
334.27423	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01791	4.5
55.05441	3.2
57.07001	5.6
67.05415	14.1
69.06967	5.1
71.08530	12.1
72.04066	4.8
72.04430	100.0
79.05434	3.8
81.06987	20.0
91.05414	6.2
92.75063	2.8
93.06958	14.1
95.04889	27.9
95.08539	22.3
98.84649	2.6
107.08534	14.1
109.06472	34.8
109.10092	3.3
114.09083	11.6
116.98504	3.1
131.08513	3.3
133.10066	3.8
135.08026	2.8
145.10011	3.3
159.11676	3.7
165.12708	89.1
173.13264	3.9
182.15286	6.0
236.20094	16.0
271.20581	3.6
330.75754	3.0
334.27304	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	334.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20511	1.2
55.01797	7.2
55.05429	2.7
57.07001	7.0
57.94070	1.2
67.05437	11.0
69.06977	9.7
71.08548	10.8
72.04431	78.0
79.05393	7.3
81.06986	14.6
85.06454	2.3
91.05405	2.4
92.10290	1.7
93.06963	15.2
95.04883	21.8
95.08538	20.0
97.06503	3.6
99.08009	3.7
105.06965	7.6
107.08536	13.0
109.06453	27.9
110.91895	1.4
114.09139	12.2
119.08517	2.9
121.06424	3.6
121.10142	1.9
128.10728	2.4
131.08516	6.3
133.10063	7.4
135.08049	1.9
147.11633	1.8
149.13214	2.5
165.12715	100.0
171.42712	1.6
173.13242	6.9
182.15372	6.3
191.14319	3.7
194.15483	1.8
212.16348	2.4
220.16891	7.8
236.20049	16.0
271.20514	2.1
289.21497	6.5
334.23624	2.7
334.27319	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09486	5.3
53.90543	5.4
56.58499	5.7
57.07005	14.5
65.83586	5.9
67.05425	13.0
70.11263	6.2
71.08549	9.1
72.04429	100.0
77.69665	6.1
79.05423	10.2
80.36603	6.6
81.06970	29.2
82.92596	6.1
88.82272	7.7
91.05392	7.8
92.10259	7.4
93.06966	17.0
95.04890	6.9
95.08517	27.5
98.98386	12.3
105.06953	9.4
106.70717	7.1
107.08547	12.1
109.06463	36.1
125.92725	6.5
134.11238	6.8
146.23483	6.8
165.12680	85.2
169.00479	7.4
204.86642	6.9
220.16774	7.8
236.20102	10.3
237.21686	8.0
334.27310	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18642	0.9
55.05458	1.4
56.04979	9.0
57.07007	12.1
58.06534	16.4
60.04434	5.5
70.06523	2.2
71.08546	5.4
72.08051	6.4
74.05999	10.4
84.84209	1.0
86.05970	7.3
88.07556	86.0
89.05983	1.3
104.07043	7.2
111.21457	1.3
132.10173	24.1
138.37982	1.2
146.57390	1.4
162.11264	2.2
162.48241	1.3
166.10606	1.6
242.24728	54.0
243.25081	1.2
286.27396	18.4
316.28458	2.0
334.29468	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84914	1.0
55.05457	8.1
56.04976	2.5
57.07015	2.6
60.04459	100.0
61.64540	1.1
64.92892	1.0
67.05427	10.9
69.07000	8.9
70.06501	1.2
72.04441	1.9
74.05992	1.2
79.05412	4.8
80.04948	1.5
81.06972	14.9
83.08537	5.4
91.05401	1.7
92.18680	1.1
93.06985	2.1
95.08527	13.7
97.10124	2.3
98.97513	1.3
102.05428	1.4
103.16236	1.1
107.08575	1.6
109.10136	5.7
116.07044	1.3
116.98593	1.3
117.03312	1.9
123.08020	1.7
133.10049	1.2
134.99651	2.6
145.02849	9.2
177.05428	8.8
184.76424	1.1
187.69272	1.2
238.32469	1.3
262.25095	1.2
280.26401	6.1
280.97137	1.1
298.27374	7.4
316.28424	23.5
334.29434	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15639	0.9
54.81504	0.8
54.81771	1.0
55.05458	8.4
56.04971	5.7
57.07003	1.2
60.04456	100.0
61.16997	0.9
67.05427	11.4
69.06971	5.0
74.68229	1.0
79.05399	4.1
79.06569	1.1
80.04933	0.9
81.06971	6.9
82.06473	1.8
83.08546	2.2
85.48694	1.0
91.05415	1.4
93.06983	1.9
95.08540	11.5
95.27223	0.9
97.10116	1.3
105.06965	1.5
109.10095	4.4
121.10119	1.5
139.72198	1.1
162.35297	1.1
191.43773	1.2
196.95927	1.3
262.25198	1.7
280.26328	6.3
298.27396	9.5
301.07147	1.1
316.28372	19.6
334.29404	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	334.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96560	0.5
55.05458	0.7
57.07014	11.3
58.06527	3.8
66.42819	0.6
70.06511	38.5
71.08564	2.2
72.08064	4.3
73.59811	0.6
84.08050	3.9
85.10103	2.6
86.09633	5.5
88.07555	9.1
100.07607	0.7
102.09116	4.2
114.09133	0.9
117.07709	0.7
129.64197	0.7
132.10156	14.5
146.11725	13.5
177.52687	0.7
184.20586	3.6
210.22101	1.4
228.23167	14.2
272.25778	67.8
273.26065	1.4
275.75320	0.7
316.28592	0.8
334.29456	100.0
335.29776	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56775	1.3
54.98324	1.4
55.01817	2.2
55.05453	57.9
60.57274	1.1
67.05410	9.1
69.06990	18.1
69.93681	1.2
70.06517	16.8
71.43837	1.4
72.08070	94.6
79.05396	2.2
80.78916	1.5
81.06979	12.6
83.08533	3.2
95.08514	8.1
98.05984	100.0
109.10093	2.7
113.08311	1.7
124.85977	1.5
126.09074	11.7
140.10657	11.0
154.12248	3.3
163.56966	1.8
168.13733	1.7
210.18344	1.7
212.09738	1.5
213.11385	1.4
268.71198	1.5
334.30957	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12358	1.0
53.11886	0.9
53.99748	1.2
55.01812	1.0
55.05451	55.3
55.42446	1.0
56.01329	1.0
56.14376	1.1
57.05212	1.0
57.07002	1.8
67.05432	8.5
69.06988	20.7
70.06509	16.5
72.08069	92.6
75.31812	1.1
79.05410	2.4
79.06675	1.0
81.06967	10.0
83.08537	5.1
91.05442	1.6
95.08509	8.5
97.10103	2.0
98.05983	100.0
99.49270	1.2
105.06954	1.0
107.08525	2.1
109.10104	5.0
113.08352	1.9
119.08506	1.4
122.78031	1.4
126.09099	8.8
140.10715	10.8
154.12260	8.2
168.13837	2.8
182.15373	2.0
241.84572	1.2
266.20972	1.1
266.99814	1.1
302.49838	1.2
307.43835	1.1
307.97839	1.4
334.30957	86.7
334.35019	2.8
335.21539	1.7
335.30911	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	335.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22526	2.1
53.03884	1.8
55.01809	2.0
56.04973	2.0
56.96503	3.3
57.03381	17.8
57.07014	100.0
61.02858	3.3
62.63262	1.8
69.03343	10.2
70.06504	23.4
71.01270	24.4
72.08079	4.8
73.02831	29.6
77.32501	2.0
77.59440	2.3
81.03358	2.5
83.01252	3.1
84.04427	24.0
84.08070	5.0
85.02339	3.5
85.02828	70.9
85.06470	35.6
86.09644	3.0
87.24000	2.1
95.01271	3.2
97.02830	12.3
98.05990	2.0
98.97500	4.1
99.00726	3.6
101.02328	8.8
103.07517	11.4
113.02309	15.6
116.07039	2.9
116.98595	3.3
130.06534	17.0
131.03375	11.8
131.06821	2.7
132.04462	3.3
141.01799	9.6
144.08141	3.2
146.05988	13.2
147.06334	4.3
158.06007	3.9
159.09010	3.7
159.10165	23.5
174.09204	2.5
175.08624	11.8
188.07083	13.5
189.07370	10.3
200.06955	2.3
205.09679	3.0
213.13174	2.0
215.05421	2.6
229.09727	3.7
237.02849	3.0
245.09073	3.4
270.12155	2.4
271.10699	3.3
316.12976	3.7
317.13327	3.9
335.12985	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	335.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10694	0.2
54.25698	0.2
55.61034	0.2
56.96514	0.3
57.03373	0.2
58.06309	0.2
67.05390	0.2
68.04955	0.2
69.07014	0.3
70.06512	100.0
71.06847	0.4
79.05429	0.2
81.03333	0.2
81.06980	0.4
85.02867	0.3
87.47984	0.2
89.49502	0.2
91.04879	0.2
91.05414	1.9
92.63926	0.2
93.06967	0.3
95.04874	0.4
95.06056	0.4
95.99720	0.2
98.97519	0.4
100.92926	0.2
105.37881	0.2
107.08528	0.4
112.08679	20.3
116.98604	0.3
119.04932	1.8
120.08043	0.2
121.10025	0.2
124.03909	0.2
130.06561	0.2
131.08549	0.3
134.99661	0.3
145.02852	0.2
147.04356	2.1
158.05997	0.3
160.01538	0.4
162.57410	0.2
166.47076	0.2
167.21236	0.2
175.03873	3.0
177.05655	0.3
179.07033	0.3
207.06517	2.6
219.01814	0.3
290.02328	0.2
335.17169	5.5
346.98627	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16057	0.1
54.53825	0.1
68.04961	0.2
68.52625	0.1
70.06511	100.0
71.06841	0.6
85.07545	0.4
90.30456	0.2
91.05400	2.1
95.06034	0.3
112.08676	21.3
119.04900	3.9
145.02852	0.2
147.04401	3.4
157.04016	0.2
175.03873	4.6
177.05438	0.2
180.82513	0.2
187.12263	0.1
193.93024	0.1
207.06496	2.5
218.18507	0.2
260.67844	0.1
299.88559	0.1
313.93542	0.1
314.72690	0.2
335.17108	5.8
335.21008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	7.4
55.08081	1.7
55.64144	1.6
57.03367	4.5
58.02561	1.7
59.86512	1.7
64.83387	1.7
65.46711	1.6
67.05415	17.4
69.06984	8.0
78.03416	1.8
79.05394	9.8
81.06966	13.3
82.55420	2.3
83.69881	2.0
91.05421	4.0
93.06969	11.1
95.04929	3.2
95.08491	6.7
101.20801	2.0
107.08469	2.1
109.10058	3.1
119.08576	2.0
210.85362	2.2
304.93771	2.2
335.21863	100.0
335.25677	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	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	6.8
55.31940	1.4
57.03367	3.0
67.05431	17.2
69.06991	5.9
78.04531	1.5
79.05412	7.7
81.06979	14.7
82.76907	1.5
91.05399	6.3
92.63796	1.7
93.06979	6.3
95.08521	9.2
105.06983	2.8
107.08570	2.5
119.08526	1.8
121.10045	1.6
136.94923	1.5
137.88876	1.6
143.71240	1.7
181.59531	1.7
250.82127	1.8
279.78238	1.7
335.21893	100.0
335.25784	11.3
336.22406	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	335.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94005	3.2
53.12207	2.8
57.03375	4.2
60.04451	37.1
67.05419	7.2
79.05412	18.1
81.06970	51.7
91.05396	4.3
93.06979	6.2
95.04896	59.8
95.08534	7.2
99.32620	3.9
105.06973	5.0
107.08549	4.2
109.06470	100.0
109.10085	6.0
118.36106	3.4
120.88357	3.8
153.51154	3.6
172.60344	3.8
182.75897	3.6
221.15367	3.9
317.20987	7.4
335.21732	7.5
354.76825	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	336.1917
Annotation	Gly Leu Phe
Peak:m/z	Relative Intensity
55.05433	0.9
56.96503	1.8
67.05439	0.9
69.03308	0.9
69.06989	14.0
70.06514	27.3
71.06841	7.2
73.72096	0.7
75.05529	18.8
81.06989	1.3
86.09631	100.0
95.04881	0.8
98.97515	1.5
103.05437	2.1
107.04893	1.3
112.08677	5.1
113.09018	1.5
115.31316	0.7
116.98612	1.6
120.08064	58.8
130.06517	3.4
131.04880	1.4
132.04459	0.9
134.99646	2.1
142.24925	0.9
143.11777	59.0
144.54085	1.2
166.08636	10.5
171.11282	8.8
177.05453	1.0
208.06859	0.8
308.46213	0.9
313.09659	1.7
336.17621	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	336.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	30.7
57.07012	9.0
61.07742	5.3
67.05438	64.7
69.03353	10.6
69.06982	73.3
70.35474	5.1
70.53747	5.3
79.05403	9.0
81.06966	99.0
90.52111	6.2
91.05415	29.6
93.06979	70.9
94.95464	5.7
95.04876	57.8
95.08530	100.0
97.02827	70.6
105.06975	35.6
107.08531	42.1
109.06490	8.8
109.10103	43.7
111.04348	45.1
111.07999	6.0
119.08498	50.9
122.09521	7.1
123.11657	13.8
124.63789	6.0
126.02328	6.4
131.08603	9.3
133.10135	13.6
135.11684	25.9
136.32309	7.0
137.13223	6.5
145.10117	6.6
147.08055	11.2
147.11667	14.9
151.11127	7.1
203.18007	6.9
252.84354	6.9
257.54498	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	336.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	19.8
59.00231	3.8
61.52222	2.9
67.05424	15.9
69.06977	8.8
71.08547	29.1
72.04432	83.5
73.12617	3.2
76.72684	3.2
79.05426	5.7
80.76854	3.7
81.06963	27.4
83.08499	4.4
92.10820	5.7
93.06982	15.4
95.04913	6.5
95.08552	30.2
99.08024	6.2
105.06946	4.8
107.08571	12.7
109.06485	17.2
109.10087	6.1
114.09100	5.9
119.08552	4.4
128.10680	5.3
135.11685	4.9
165.12766	31.6
177.28249	4.3
238.21609	20.5
291.23053	15.9
302.06110	4.0
336.28885	100.0
356.32208	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	336.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	1.6
55.05454	18.7
55.31491	1.3
57.03369	1.5
57.06996	7.1
57.58098	1.3
63.96812	1.3
66.10588	1.5
67.05432	19.4
69.06990	30.5
71.04900	2.9
71.08540	32.4
72.04060	1.8
72.04433	24.3
79.05403	15.3
81.06979	28.5
82.26805	1.4
83.04927	2.5
83.08553	11.9
85.06474	2.4
91.05392	10.4
93.06973	25.2
95.04871	7.1
95.08527	25.0
97.06451	7.7
97.10097	3.1
99.08022	11.5
100.07539	2.3
105.06982	8.7
107.08533	13.3
107.80827	1.5
109.06476	16.5
109.10103	15.5
111.08038	2.5
114.09055	2.5
119.08520	8.7
121.10085	4.0
123.08025	3.2
123.11703	2.2
133.10069	2.0
135.11713	3.2
137.09598	2.8
147.11644	3.1
149.13177	2.7
156.13834	2.9
161.13243	2.0
165.12711	26.1
175.14764	3.1
179.14272	2.2
193.15736	1.6
212.16496	3.7
235.16718	2.3
238.21629	18.1
291.23096	32.4
314.30017	2.1
318.27936	3.1
336.28900	100.0
336.33051	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	336.3257
Annotation	N-Isobutyl-(2E,4E)-octadecadienamide
Peak:m/z	Relative Intensity
50.14294	3.2
51.50087	3.5
55.05449	34.3
55.48904	3.3
57.07001	8.8
69.07003	5.0
70.06535	5.5
72.08064	61.7
89.05930	8.5
95.08533	6.3
98.05985	74.2
99.78204	4.2
140.10687	6.2
151.09593	8.8
168.12341	4.1
201.04207	3.8
224.18520	4.3
280.24866	7.4
336.32553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3259
Annotation	N-Isobutyl-(2E,4E)-octadecadienamide
Peak:m/z	Relative Intensity
50.68982	0.9
55.01784	1.1
55.05193	1.0
55.05455	46.1
57.07014	100.0
61.98933	1.2
67.05431	16.8
69.06988	47.7
70.06501	1.3
71.08533	2.6
71.56688	1.1
72.04444	1.0
72.08062	4.6
74.09228	2.1
74.09631	54.4
79.05396	7.3
81.06975	23.8
83.08545	20.8
86.05993	8.3
89.05955	1.4
91.05392	2.3
93.06968	4.4
94.26183	1.0
95.08538	21.0
95.41702	1.0
97.06485	1.7
97.10117	10.8
100.07533	5.9
105.06962	1.8
107.08514	2.5
109.06465	1.1
109.10096	8.0
111.08103	1.1
111.11631	1.3
121.10081	2.0
123.08071	1.2
123.11690	1.3
128.10678	1.8
133.10103	2.2
137.13216	1.4
142.12253	6.8
147.11659	1.3
156.13812	4.8
170.15367	5.9
184.16963	2.2
198.18431	2.0
210.18553	1.3
212.20047	1.8
214.67418	1.3
254.24579	1.3
307.36838	1.3
315.35983	1.2
336.32529	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3259
Annotation	N-Isobutyl-(2E,4E)-octadecadienamide
Peak:m/z	Relative Intensity
53.00229	1.6
55.05452	53.7
56.51160	1.2
57.07013	100.0
67.05432	16.4
69.06989	49.7
70.53521	1.2
71.08536	5.9
71.13220	1.4
72.04418	2.7
72.08060	8.5
74.09631	57.7
79.05414	3.1
80.97023	1.4
81.06975	27.9
83.08539	20.6
86.05978	9.1
89.05928	6.2
91.05399	3.1
93.06965	6.8
95.08524	18.9
96.61082	1.8
97.10079	9.2
98.05988	3.1
98.10575	1.5
99.06318	1.8
100.07538	2.5
105.06973	2.5
107.08530	3.6
109.10109	8.8
114.09142	2.3
119.08524	1.7
123.11641	3.5
133.10066	2.0
140.10605	2.0
142.12244	6.8
151.09628	2.8
156.13803	6.9
170.15364	6.0
184.16991	5.1
264.89377	1.6
282.38358	1.7
336.26102	1.6
336.32501	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00230	2.4
53.03881	2.5
55.01797	2.5
55.05449	84.0
57.07015	35.6
67.05423	72.1
69.05560	2.4
69.06985	90.3
69.11142	2.6
70.89339	2.4
71.08533	16.5
72.08057	3.4
79.05400	27.1
81.06507	3.9
81.06975	100.0
83.04920	2.7
83.08533	64.3
84.08060	4.4
85.10107	3.8
86.05972	11.5
86.09569	3.8
91.05399	16.3
93.06956	26.9
95.08525	87.1
97.06450	13.5
97.10105	26.2
100.07566	10.8
105.06981	10.7
107.08500	18.4
109.10108	35.4
111.08031	4.9
111.11681	5.3
114.09102	5.6
119.08530	13.6
121.10095	18.3
123.11655	16.0
133.10085	14.3
135.11665	11.3
147.11632	11.3
149.13239	3.5
161.13159	4.8
263.62543	2.8
301.28738	22.8
319.29865	33.9
336.32480	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	336.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10517	3.0
55.01805	3.1
55.05449	81.6
57.07010	93.5
57.87523	3.5
63.27606	2.9
67.05421	83.8
69.06988	82.6
71.08537	55.7
79.05399	23.8
81.06970	86.8
83.08527	49.6
85.10110	23.8
86.05983	4.4
89.05441	6.7
89.05949	100.0
89.71069	3.4
91.05401	19.9
93.06976	25.3
95.08529	87.1
97.06451	8.5
97.10094	34.7
98.99779	3.6
100.07534	4.5
105.06960	16.1
107.08527	21.0
109.10102	44.2
111.08006	14.7
111.11687	4.1
114.09132	4.2
119.08521	14.6
121.10088	8.4
123.11677	18.5
133.08551	7.3
133.10092	16.9
135.11696	7.1
147.11662	6.5
149.13252	4.4
151.09621	33.2
170.95110	3.8
175.14758	5.0
225.15950	4.2
301.28842	21.1
319.29480	35.4
336.32593	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	337.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92105	1.7
56.04971	2.7
56.96505	4.2
58.99517	3.9
62.99001	25.9
67.05427	4.0
69.06989	77.0
70.06520	15.5
75.70466	1.8
84.04431	88.8
88.03915	7.4
98.52012	2.0
101.04182	4.6
105.00036	4.5
116.07035	13.1
116.98550	3.2
119.05244	100.0
120.08054	24.0
127.05774	2.1
130.04967	8.6
132.04436	8.6
134.99649	2.5
136.07549	15.7
137.07881	9.3
144.14441	1.7
145.06779	2.8
146.05914	2.1
151.21507	2.3
152.40065	1.7
155.19218	1.8
171.07759	2.5
173.06253	10.7
177.10170	2.4
190.09004	2.2
191.07352	38.0
192.11278	2.1
193.09566	2.1
208.09990	20.6
248.08838	2.6
256.62750	2.4
293.24567	2.0
317.65915	2.3
337.14081	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	337.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	0.4
56.96478	0.4
60.05563	1.9
61.29224	0.3
65.03825	0.5
67.05422	0.7
69.06976	0.4
70.06483	1.6
71.32567	0.3
72.08064	7.4
72.88694	0.4
77.03798	0.5
79.05391	0.4
81.06964	0.7
84.04388	0.4
86.89409	0.4
89.03812	0.4
91.05402	15.1
93.06939	0.5
95.04867	0.6
95.08517	0.7
97.07576	3.4
98.06004	1.4
101.30066	0.4
103.05435	0.4
104.02579	0.5
109.10002	0.5
110.92086	0.4
114.10238	14.2
115.08626	3.6
117.03272	0.4
119.04887	26.7
119.05757	0.9
121.02769	0.5
121.06494	0.5
122.03597	0.4
130.06497	0.7
131.12839	2.2
132.02025	3.1
133.02785	1.5
134.03595	0.5
135.04405	0.5
145.02798	0.8
146.03603	2.0
147.04387	37.1
148.05229	0.5
149.02309	0.5
150.03142	0.5
151.07489	0.8
157.03943	0.7
157.10838	0.5
158.06030	0.5
160.01532	9.3
161.05861	0.4
162.03033	1.9
163.03867	0.5
164.04637	3.2
170.07085	0.4
174.03044	0.4
175.03867	72.2
176.04532	0.6
178.02527	4.4
179.06970	9.3
192.04112	4.2
193.04933	2.9
207.06490	100.0
208.06934	0.7
262.13055	0.4
277.15295	2.2
278.13739	4.2
303.13358	0.5
320.15866	4.8
337.18628	51.3
338.18884	0.8
357.48560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06566	0.3
51.56578	0.3
55.05412	0.3
57.18791	0.4
59.81624	0.3
60.05585	3.2
65.03851	0.5
67.05420	0.3
70.06503	0.7
71.06763	0.3
72.08069	10.2
77.03801	0.6
78.83224	0.4
89.03835	0.8
91.05403	24.5
97.07597	2.6
98.05965	0.7
98.97512	0.5
105.03344	0.4
114.10242	13.8
115.08643	1.8
119.04897	56.0
120.05186	0.5
130.35574	0.3
131.12886	4.3
132.02023	1.4
144.42708	0.4
145.02826	0.5
147.04387	52.8
157.03949	3.9
157.10823	2.0
160.01486	0.5
164.04668	0.8
175.03870	88.7
176.04251	0.7
179.06978	4.3
192.04152	0.5
198.61671	0.4
207.06496	100.0
208.06905	1.4
277.15424	1.3
278.13849	3.6
295.16357	0.4
320.16122	3.2
320.19327	0.4
327.15366	0.4
337.18637	54.5
338.18954	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96491	0.6
60.05574	7.6
65.03841	1.0
66.91678	0.6
69.06964	0.6
70.06503	1.1
70.94453	0.5
72.08069	19.5
82.35877	0.5
84.04417	1.3
89.03839	0.7
91.05400	29.1
97.07564	4.0
98.05962	1.2
98.09598	1.0
103.05428	0.7
105.03310	0.6
114.10241	17.3
114.37416	0.6
115.08620	1.0
119.04891	52.8
126.05476	0.7
131.04872	0.8
131.12886	8.5
133.02870	0.6
136.07556	2.2
138.05460	2.2
139.05817	0.7
144.06403	0.6
144.10114	0.7
144.11293	1.3
145.02815	1.3
147.04385	55.4
149.02271	0.8
157.03984	4.5
157.10803	2.2
164.04640	1.2
164.06963	0.7
175.03867	85.5
176.04211	0.7
179.06987	3.7
207.06490	100.0
208.06827	0.8
211.42795	0.5
277.15570	0.6
278.13760	1.2
320.16037	3.3
337.18610	55.1
338.19162	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61063	1.3
55.05448	3.4
56.04971	2.1
56.96498	3.1
58.56604	1.5
60.04435	1.5
60.05576	15.3
63.92027	1.5
64.34359	1.6
65.21820	1.4
67.05430	2.8
69.03331	1.6
70.06499	16.7
71.04893	1.5
71.68089	1.5
72.08070	24.5
74.06020	1.9
81.03342	1.9
81.06964	3.1
84.04436	12.1
84.08095	3.9
85.02851	2.1
86.09613	6.2
90.44551	1.7
91.04891	2.4
91.05406	31.8
92.10310	1.9
93.06975	2.9
95.08533	2.2
96.04441	3.6
97.07579	2.1
98.05980	1.6
98.09641	8.7
98.97494	2.3
105.03291	1.5
105.06956	1.6
109.02822	1.7
110.06014	1.8
114.10237	16.1
116.98581	5.8
117.03339	1.9
119.04893	52.9
120.08038	3.3
121.10045	1.7
126.05511	3.4
127.05714	1.9
131.12888	6.4
133.10019	1.5
134.99586	2.2
136.07535	13.9
138.05499	19.0
139.05821	7.4
142.40598	1.6
144.06543	7.4
144.10162	2.1
145.02838	9.6
147.04388	48.2
157.03932	2.8
157.51262	1.6
160.01561	1.7
164.04674	2.2
164.07002	13.0
173.21863	1.6
175.03871	87.1
177.05449	9.9
182.08124	2.8
207.06494	100.0
224.08078	1.7
283.90707	1.6
303.33441	1.6
320.16040	1.9
337.18640	48.0
339.24698	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2347
Annotation	Prostaglandin B2-d4
Peak:m/z	Relative Intensity
53.90502	2.7
55.05454	2.5
57.86547	2.8
69.03394	3.5
72.56181	3.0
77.38888	2.8
83.04922	3.9
84.42782	3.9
87.61424	3.6
93.06955	3.6
95.08532	4.4
98.49567	3.3
107.08528	3.6
125.09517	3.4
135.76088	3.2
158.07146	3.4
163.67552	3.1
199.68703	3.6
301.69553	3.3
319.22324	15.2
337.23416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2368
Annotation	11S,12R-Epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Peak:m/z	Relative Intensity
55.05438	14.9
56.28699	5.9
58.64208	5.5
67.05428	70.6
69.03354	14.6
69.06963	30.7
71.04905	17.1
71.73705	6.5
79.05385	28.9
81.06975	100.0
85.06478	11.9
91.05399	17.0
93.06950	58.1
95.04892	34.0
95.08536	64.6
99.27693	7.4
105.06953	46.8
107.08549	70.7
108.01040	6.8
109.06453	33.7
109.10120	93.7
119.08503	33.5
121.10083	27.3
123.11654	91.0
125.09602	10.7
131.08525	17.7
133.10066	41.6
135.07980	16.8
135.11641	7.7
137.09645	9.6
139.11182	11.3
145.02853	6.6
145.10109	24.7
147.11655	14.5
149.09628	8.1
151.11176	6.7
157.10110	10.6
161.09538	12.3
163.11295	8.7
173.13158	7.9
175.11215	10.5
187.14745	15.3
216.42708	7.2
267.31259	7.2
273.22040	8.4
301.21506	25.7
319.22595	38.3
337.23801	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	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87547	2.0
53.03878	2.6
54.05745	2.4
55.01810	3.0
55.05453	44.4
57.03376	28.6
57.03602	3.0
57.07009	4.5
67.05429	100.0
69.06991	56.8
71.45901	2.6
79.05404	22.3
81.06973	83.9
82.45956	2.6
83.04940	2.8
83.08542	20.9
91.05412	17.4
93.06984	24.1
95.08536	64.5
97.06452	2.9
97.10091	11.3
105.06960	13.0
107.08543	14.9
109.10075	19.1
114.38481	2.9
119.08543	6.1
121.10102	5.4
123.11692	3.8
133.10127	4.9
144.64362	2.7
154.94200	3.1
160.04570	2.9
199.93848	2.8
246.98975	3.0
306.51797	2.9
337.23538	4.5
337.27271	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2734
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03881	2.0
55.05454	52.5
57.03368	31.5
57.07014	2.3
61.93750	1.9
67.05079	3.4
67.05427	93.2
69.06992	53.7
79.05399	28.8
81.06512	4.3
81.06976	100.0
83.04924	2.5
83.08548	17.5
91.05405	13.3
93.06991	22.6
93.07484	3.1
95.08537	48.7
97.10078	2.9
105.06973	11.4
106.93259	2.0
107.08528	4.9
108.48166	2.0
109.10107	20.0
119.08547	4.0
121.10078	4.1
133.10074	8.9
147.11615	2.0
218.02824	2.3
245.22673	2.3
337.27319	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.3415
Annotation	13Z-Docosenamide
Peak:m/z	Relative Intensity
57.07014	4.0
61.28346	0.5
64.33147	0.5
70.06491	1.0
71.08537	2.3
72.08070	36.9
76.39199	0.5
83.08546	0.5
95.08485	0.5
98.05969	1.9
113.08371	0.6
126.09082	0.8
128.10645	2.1
142.12239	2.0
156.13808	0.8
190.74332	0.5
207.62076	0.5
216.60310	0.5
230.95686	0.5
338.34116	100.0
339.34497	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	339.1074
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03889	0.5
55.05453	0.5
56.96504	2.6
57.03363	0.4
60.04447	0.4
62.47399	0.3
67.05420	1.3
67.21700	0.3
69.03341	1.6
69.06970	0.4
70.06511	4.3
70.38876	0.3
70.46056	0.3
70.82318	0.3
71.04900	2.3
72.08073	0.7
74.05961	0.3
78.04618	0.4
79.05424	0.3
81.03323	1.9
81.06976	2.6
83.04885	0.4
84.04449	1.8
84.08080	2.2
85.02817	2.9
86.09615	1.8
89.03834	8.3
91.05409	0.5
92.10281	0.5
95.01257	0.4
97.02808	2.0
98.97515	5.9
107.15019	0.3
110.07117	1.4
111.04404	0.4
112.24380	0.4
116.98554	8.1
117.03327	31.7
119.04867	0.6
127.03893	0.5
130.09740	0.6
134.03592	2.2
134.99615	9.2
135.04381	3.2
136.16095	0.3
141.01816	0.4
141.12772	0.4
145.02820	78.4
146.03191	0.6
146.99586	0.5
147.04393	0.4
149.05945	12.1
151.03862	0.8
153.00681	2.2
158.01320	0.4
163.03885	1.3
177.05429	100.0
178.05801	0.5
181.04921	0.6
186.05473	0.4
190.95299	0.4
195.63565	0.4
207.01552	0.4
219.01755	0.5
232.96431	0.4
234.99059	0.5
274.97446	4.7
276.69229	0.4
292.98514	6.4
310.51025	0.4
339.10608	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	339.1074
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
54.81454	0.3
56.96504	0.3
59.56751	0.2
60.42941	0.2
63.02295	0.4
64.33119	0.3
67.05439	0.3
68.74474	0.3
69.03337	0.3
69.15481	0.3
70.06499	0.5
72.08075	1.1
80.64509	0.3
81.03334	0.4
89.03841	5.9
91.05402	1.8
92.05750	0.3
92.10231	0.6
97.02823	1.5
98.97518	2.7
103.05438	0.4
116.98574	3.8
117.03326	24.5
119.04905	1.4
120.05236	0.7
121.06468	0.3
128.98534	0.3
134.03592	1.7
134.99596	2.3
135.04375	2.4
145.02824	76.7
146.03172	0.6
147.04385	1.6
148.04700	1.6
149.04790	0.4
149.05962	10.6
162.03088	0.3
163.03853	0.7
163.34987	0.3
175.03851	1.7
176.04213	2.3
177.05435	100.0
178.05853	0.5
186.05432	0.4
195.06671	0.3
207.06464	1.8
208.06807	2.7
209.07030	0.6
274.97467	1.7
288.58710	0.3
292.98538	2.6
318.93262	0.3
338.18954	2.1
339.10507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81426	1.3
55.01786	1.7
55.05439	1.7
56.96484	8.5
58.08622	1.4
67.05430	1.6
69.03342	3.5
70.06499	3.9
74.04088	1.3
79.05394	3.3
81.03323	3.4
81.04408	1.3
81.06994	14.1
81.07378	1.5
84.04419	3.5
84.08057	3.0
85.02842	5.5
91.05405	2.3
93.06953	1.7
96.08068	1.8
97.02847	2.4
98.97503	28.7
109.06485	1.7
110.05994	6.7
116.98569	35.6
118.99169	1.6
120.08050	1.8
121.06446	1.7
122.05975	17.9
123.06826	1.9
124.07546	20.9
127.03877	1.5
134.05959	10.5
134.99635	33.6
136.07556	100.0
140.07033	6.4
145.02811	2.7
146.99655	2.3
147.04361	2.3
150.05478	3.6
152.07048	80.8
153.00653	8.4
158.99506	2.1
164.05716	3.3
164.07030	83.3
170.08072	6.1
170.99725	1.6
177.00677	11.1
177.05368	1.7
182.08122	12.4
190.95273	1.7
260.12671	2.0
274.97501	15.1
279.03799	2.4
292.98453	22.5
303.13309	19.3
321.14432	8.8
339.10211	2.7
339.15344	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	339.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64241	16.4
54.81769	15.8
55.05441	37.1
57.03353	17.7
59.08847	15.3
62.42794	17.5
67.05428	100.0
69.06985	24.6
81.06966	44.2
95.08526	26.8
107.08574	20.1
112.30918	18.6
121.10098	22.2
124.82458	19.4
203.25470	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	339.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82453	1.1
55.05445	2.2
57.07011	25.8
62.06011	2.1
64.16431	1.1
64.34204	1.1
67.05421	5.9
69.06970	2.3
79.05399	1.4
79.20565	1.0
81.06963	5.3
91.05387	7.8
92.10188	2.1
93.06959	6.5
95.08492	2.3
98.97520	1.2
105.06962	23.4
107.04877	1.4
107.08521	5.3
107.79044	1.1
116.98542	2.6
117.06993	1.4
119.08529	33.6
119.42930	1.3
121.06425	8.0
121.10095	54.5
131.08481	1.8
133.06451	1.6
133.10086	27.1
134.99631	2.2
142.07852	1.5
145.10081	2.4
147.08006	2.1
147.10612	2.3
147.11667	37.8
147.12793	2.6
157.10028	1.9
159.08113	1.4
160.08778	2.7
163.11183	1.4
175.11130	23.1
274.15591	1.3
283.16855	100.0
284.17145	1.8
339.23080	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	339.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05187	1.0
55.05451	24.6
56.36488	0.8
56.96513	3.8
57.03373	9.1
57.06735	1.1
57.07014	26.8
61.70161	1.0
65.68764	0.8
67.05437	10.5
67.30383	0.9
67.55259	1.1
69.06989	23.4
71.08536	2.1
79.05394	8.4
80.86172	0.9
81.06963	11.0
83.08530	13.0
83.69973	1.0
90.06000	1.1
91.05408	5.7
93.06960	11.9
95.04906	1.5
95.08523	10.3
97.10090	5.8
98.97522	18.3
105.06977	23.6
107.08541	9.5
109.10091	4.2
116.98580	27.1
117.35519	1.0
119.08544	32.8
121.06457	7.3
121.10106	54.3
122.10509	1.1
122.47754	1.2
124.33114	1.0
133.06554	1.4
133.10098	25.0
134.99641	25.7
135.11664	1.8
145.06491	1.0
145.10088	2.2
147.08035	1.5
147.11670	37.0
153.00711	8.3
153.15323	1.0
158.01210	1.2
160.08873	1.8
163.11121	1.2
172.94386	1.2
175.11142	16.4
190.95389	1.4
221.59444	1.0
232.96455	1.5
236.15178	1.1
250.97415	4.3
256.96353	1.6
274.97437	17.6
283.16891	100.0
284.17032	2.3
292.98486	21.5
293.98914	1.3
339.23083	21.8
339.28876	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67307	1.7
52.84156	1.6
55.01580	2.7
55.01814	49.5
55.05439	11.8
56.96491	11.1
57.06992	7.9
57.23783	1.9
60.31151	1.5
66.35054	1.6
67.05421	14.8
68.88985	1.6
69.03348	21.8
69.06989	33.6
71.04904	3.9
71.96861	1.7
76.55679	2.1
79.05405	20.9
81.06977	44.1
83.04890	11.0
83.08533	9.6
83.62340	1.9
85.06467	3.2
91.05422	3.9
93.06966	15.5
95.04874	9.3
95.08533	24.9
97.06468	32.1
97.10133	4.1
98.03896	1.7
98.97511	41.4
105.06966	8.3
107.08539	19.2
109.06461	18.0
109.10110	15.2
110.10458	1.9
110.11268	1.7
111.08033	27.9
111.45182	2.0
116.98566	60.3
119.08512	4.2
121.10090	15.5
123.11665	10.9
125.05955	100.0
125.09570	26.5
127.07529	28.7
133.10085	3.6
134.99632	62.4
135.08037	2.1
135.11667	10.7
135.99916	2.8
140.00154	1.9
145.10056	3.6
147.11742	3.0
151.11176	3.2
152.83063	2.5
153.00697	15.3
153.09106	14.0
158.01263	2.2
159.11754	2.1
163.11162	2.5
167.02274	2.0
173.13211	2.5
175.68956	1.9
177.00665	2.5
183.92897	1.9
189.16281	2.3
190.95299	3.9
191.17947	10.0
194.98116	1.9
209.18976	22.4
225.18477	2.4
232.96335	3.0
235.32785	2.5
250.97504	2.6
256.96310	3.4
274.97443	37.5
275.76089	2.3
285.21957	2.2
292.98523	54.8
293.98880	2.2
297.99121	2.5
303.23083	9.6
313.23001	2.6
314.44217	1.7
314.72281	1.7
321.24185	26.9
339.25177	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	339.2526
Annotation	8,9-DHET
Peak:m/z	Relative Intensity
53.00235	1.8
53.03876	1.2
55.01811	14.9
55.05455	7.2
56.96499	3.4
57.07014	1.7
62.68263	1.4
65.03885	1.8
67.05415	9.1
69.03342	4.0
69.06987	22.5
71.04911	3.8
71.23599	1.2
79.05402	13.3
81.06975	51.3
83.08547	2.9
85.06464	7.1
91.05401	2.6
93.06974	12.6
95.04897	35.9
95.08530	15.6
97.06483	2.0
97.10090	3.1
98.97523	17.5
105.06970	8.2
107.08530	11.7
109.06464	89.0
109.10122	7.5
111.08029	13.7
116.98569	25.4
117.71185	1.7
119.08552	6.3
121.06494	6.5
121.10092	8.3
123.07986	3.1
123.11637	20.4
125.09577	2.8
127.07514	100.0
129.52077	1.6
133.10065	2.2
134.99638	18.5
135.08025	2.1
135.11679	1.9
137.09589	6.3
151.11143	3.4
153.00662	6.9
165.09079	2.9
184.95477	1.6
189.16371	1.9
189.76614	1.6
190.95407	1.6
207.17378	6.1
274.97394	13.1
284.93646	1.8
292.98462	14.8
293.50732	1.5
295.35757	1.5
303.23041	2.9
321.24191	17.2
339.25223	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	339.2526
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
55.01815	22.3
55.05444	7.0
57.03360	0.6
57.07008	1.2
59.04928	0.9
66.19609	0.4
67.05421	5.6
69.03356	2.2
69.06987	5.0
70.36977	0.5
71.04903	2.0
75.54517	0.5
79.05401	4.2
81.06976	14.9
82.70554	0.5
83.04897	4.7
83.08545	2.0
84.04436	1.0
85.06461	3.4
91.05408	1.9
93.06966	7.6
95.04894	5.8
95.08541	6.9
97.06445	1.9
99.08040	0.7
99.12697	0.5
100.11192	2.2
105.06985	4.8
107.08553	5.8
109.06487	9.2
109.10123	7.8
111.08031	100.0
112.08379	0.7
119.08522	5.2
121.06446	0.8
121.10088	5.2
123.08015	0.7
123.11661	6.5
125.09587	0.5
127.07471	0.5
127.11156	0.5
131.08517	1.0
133.10063	1.9
135.11664	2.8
137.09589	3.4
139.11211	1.0
141.12633	0.5
144.09525	0.5
145.10136	1.0
147.11659	2.5
149.09575	0.9
151.11147	0.9
154.80710	0.5
157.10114	0.6
159.11688	0.7
161.09546	0.6
161.13182	0.7
163.11160	1.0
165.09138	0.5
169.12164	0.5
177.12813	0.5
182.15269	0.5
223.16870	3.6
257.55475	0.6
303.23206	2.6
321.24097	4.7
328.48837	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.00218	1.3
53.03865	1.9
55.01804	1.7
55.05451	19.6
56.94028	1.3
56.96496	10.6
57.03373	3.0
57.07002	7.8
58.52044	1.4
59.04924	1.6
59.53963	1.6
65.03843	2.3
67.05434	26.7
69.03339	8.5
69.06990	25.3
70.01075	1.5
70.06499	4.0
70.73919	1.4
71.04888	11.7
79.05411	26.4
81.03325	3.1
81.06975	100.0
83.04897	24.8
83.08539	8.1
85.06470	3.8
89.03816	3.0
91.05397	13.7
93.06968	34.2
95.04349	2.8
95.04894	50.4
95.08538	44.6
97.02788	2.5
97.06470	10.9
97.10103	2.9
98.97509	25.7
101.05962	2.3
105.06950	19.8
107.08533	28.2
109.06464	71.4
109.10110	38.0
111.04388	6.3
111.08026	8.0
116.98576	30.0
117.03323	8.5
117.06969	1.6
119.08529	21.4
121.06396	2.8
121.10106	25.9
123.08030	2.9
123.11634	32.2
124.06213	1.7
127.07520	9.5
130.56180	1.9
131.08546	6.8
133.10094	14.6
133.23659	2.0
134.99632	36.7
135.08017	12.6
135.11644	9.7
136.06221	2.0
137.09627	6.5
137.13217	7.3
139.11140	3.2
145.02795	18.8
145.10101	10.6
146.99660	2.1
147.04323	1.6
147.11661	9.6
151.11179	7.1
152.43848	1.6
153.00699	8.1
153.12758	3.1
155.10623	2.1
157.10196	2.7
159.11644	6.0
161.09691	2.2
162.05421	1.8
163.11108	3.3
165.25977	2.0
175.14748	3.6
177.00641	1.8
177.05411	23.5
178.60326	1.7
179.10646	1.8
181.12285	3.0
187.14790	2.9
190.95299	2.5
207.14903	8.0
232.96423	1.9
250.97626	1.9
274.97452	22.7
292.98450	22.8
303.23141	2.6
321.24155	9.8
339.17657	2.3
339.25143	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	340.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73619	0.9
53.03892	6.6
55.01826	5.2
55.05444	2.1
56.96504	2.8
57.03386	7.6
59.06737	1.2
61.02870	7.7
62.42445	1.0
65.97497	1.0
67.66348	1.1
68.99709	2.1
69.03348	47.2
70.06506	11.7
71.04927	6.9
73.02843	7.1
78.48267	1.1
81.03333	24.3
81.06969	1.4
83.08564	1.3
84.04443	1.7
84.08078	2.3
85.02824	100.0
86.09632	5.1
87.00755	42.6
87.04372	1.5
91.03912	2.3
91.05421	1.8
92.75818	1.4
97.02818	35.1
97.10130	1.7
98.97535	2.9
99.04381	10.5
104.02331	1.2
105.01807	45.4
107.08604	1.7
109.02812	26.5
109.96234	1.3
110.07142	1.8
116.98567	6.2
117.01878	2.1
117.03362	1.3
120.08115	2.0
127.03877	51.8
127.04776	2.3
129.01868	1.9
134.99612	4.6
137.05992	1.8
143.10655	2.0
145.02827	5.8
145.04901	9.6
146.03183	3.0
159.02867	9.3
177.05455	5.3
178.05817	5.1
206.76512	1.3
231.04942	11.6
249.05971	4.6
257.96536	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63771	1.4
55.05453	6.9
57.07010	6.8
58.06535	2.7
58.33502	1.5
59.87912	1.6
67.05434	14.4
69.06976	3.2
69.52371	1.5
72.04425	12.8
76.76508	1.5
79.05392	2.3
81.06985	8.8
83.08554	2.2
87.02602	2.3
87.67872	1.8
91.05391	3.2
93.06987	2.9
95.04893	1.8
95.08526	9.9
98.63992	1.7
105.06970	4.4
106.06425	1.7
108.05689	1.9
109.10114	3.2
114.37214	1.7
119.08540	15.4
121.06465	50.8
133.10095	11.4
134.07204	2.0
135.08011	7.5
137.09558	13.6
140.10490	1.6
149.09601	100.0
149.13255	3.2
150.09886	1.8
161.09579	45.0
164.11942	31.4
177.12711	65.8
283.16940	2.0
284.17563	18.8
306.27875	2.5
325.21329	1.7
340.23251	14.3
340.27246	5.3
340.32025	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75810	4.9
54.82064	6.3
55.05450	15.0
57.07003	6.9
61.22043	6.0
67.05431	54.4
69.06974	8.7
71.08527	6.7
72.04426	95.5
79.05409	14.1
81.06963	36.1
87.02609	28.3
91.05456	6.2
93.06949	10.8
95.08527	33.7
99.49111	6.6
105.10519	6.3
107.08505	14.0
161.64748	6.9
295.20990	14.1
306.27878	13.5
339.29822	28.4
340.26532	100.0
348.97818	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	340.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	2.6
54.81812	3.4
55.05460	7.3
56.96506	7.5
57.07000	4.6
58.02896	4.7
67.05436	12.6
67.64765	2.6
68.77010	2.9
69.06982	18.5
71.08550	28.3
79.05418	6.8
81.06979	19.8
83.08536	4.5
91.16005	3.1
93.06971	20.6
95.04871	3.2
95.08540	17.4
97.06457	3.4
97.10124	4.4
98.97500	13.4
99.08020	7.3
104.10709	4.3
105.06964	3.1
107.08546	14.4
109.06461	12.4
109.10127	7.1
116.98566	14.4
119.08586	4.6
121.10117	5.5
124.47986	3.2
134.99646	14.0
138.52950	4.7
165.12726	18.7
193.15962	3.5
198.73183	3.5
201.00040	3.5
224.68442	3.7
275.97668	4.8
276.85428	3.4
276.96912	3.6
291.23206	25.7
292.98419	4.8
293.98816	7.5
322.27374	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88906	2.0
55.05451	35.1
57.03368	1.9
57.07002	4.2
57.56395	1.9
60.04450	50.1
61.10534	2.1
67.05420	24.5
69.06979	40.4
70.27241	2.0
78.70448	2.0
79.05381	4.0
79.99776	1.9
81.06969	36.3
83.08533	32.4
91.05392	10.0
93.06963	9.2
95.08526	25.8
97.10100	9.3
104.20671	2.1
105.06983	5.1
107.08554	3.7
109.06470	2.7
109.10110	22.4
119.08533	9.6
121.10162	2.7
123.11677	2.7
133.10081	3.5
137.09552	2.4
142.15891	19.6
147.11618	4.5
154.12215	8.5
161.13248	3.5
172.13284	3.9
237.83783	3.1
245.22792	2.4
272.11569	3.0
280.26239	25.7
298.27176	18.3
340.28360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85966	6.0
55.05448	13.7
58.02891	11.6
58.06545	7.5
64.33503	6.8
67.05421	19.0
69.06972	29.5
70.06508	100.0
79.05386	8.1
81.06985	48.8
82.06521	12.1
83.08506	9.6
84.04418	15.7
93.06963	10.7
95.08541	46.3
97.51003	7.7
102.09123	8.5
109.10056	7.4
151.20906	7.5
168.17427	64.2
180.13826	13.3
198.14896	64.2
272.69482	7.7
275.22443	7.4
297.39029	10.0
308.43195	9.2
340.28357	34.8
340.35345	11.3
340.39325	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	340.357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08887	1.0
52.89815	1.0
55.05433	2.2
57.03368	1.1
57.07009	23.2
69.06981	5.6
70.84250	1.2
71.08540	5.5
72.08066	1.9
72.20259	1.1
74.05978	6.7
88.07546	19.8
90.31974	1.1
92.10862	2.4
94.17745	1.1
102.09120	8.1
116.10644	2.1
284.29434	47.2
340.35681	100.0
341.36090	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	340.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97127	2.2
54.31520	2.7
57.07000	5.5
61.24417	2.5
74.09627	37.8
86.16061	3.1
144.22810	2.7
228.16669	2.8
320.09274	2.8
340.35718	100.0
344.37219	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	340.3572
Annotation	Docosanamide
Peak:m/z	Relative Intensity
53.56220	0.9
55.05434	1.8
56.80841	1.0
57.07018	7.9
71.08547	4.2
72.04421	5.6
94.26006	1.0
100.83524	1.1
102.09100	2.5
116.10685	4.5
125.15466	1.1
130.12245	1.7
141.49948	1.0
144.75041	1.2
163.09244	1.0
231.59673	1.1
248.65459	1.2
340.35678	100.0
341.36115	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	341.2061
Annotation	E-64d
Peak:m/z	Relative Intensity
51.14889	3.2
53.77649	3.3
54.81819	4.2
55.05458	5.3
67.05417	3.9
69.06999	4.8
71.50973	4.0
96.38163	3.8
100.55718	4.2
107.08569	3.9
116.98552	5.7
118.08543	4.0
159.34940	4.6
267.17459	5.0
294.98096	5.8
340.29004	5.7
341.20569	100.0
341.26517	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	341.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	3.2
57.90306	1.8
59.13207	2.0
67.05434	3.9
69.03333	2.3
69.06997	3.9
70.10478	2.0
74.38689	2.1
76.57782	2.1
81.06993	4.8
82.40620	2.1
83.08559	2.6
85.02831	4.3
85.05446	1.9
95.08524	3.9
109.21281	2.0
112.03884	2.1
123.11626	2.2
193.40948	2.5
341.26505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53582	7.1
55.05448	16.0
56.96492	14.4
64.33121	8.2
66.92157	9.3
67.05425	49.3
69.03337	9.1
69.06985	63.5
71.04906	10.9
81.06982	45.0
83.08547	21.6
85.02824	16.0
91.05378	12.7
93.06967	44.0
95.04919	100.0
95.08527	46.9
98.97520	61.9
105.06977	11.0
107.08546	19.6
109.06474	14.5
109.10096	35.2
111.08056	16.1
116.98573	76.0
119.08542	17.0
121.10098	13.3
123.84330	10.6
127.03915	15.9
134.99608	47.7
136.70332	9.7
137.09570	37.3
153.00681	22.2
166.78543	9.5
172.53305	8.1
173.99387	10.4
234.16325	10.8
276.97412	16.2
277.00632	10.6
294.98245	19.6
295.95728	13.8
323.25705	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2682
Annotation	(E,E,E)-3-(Hydroxymethyl)-7,11,15-trimethyl-2,6,10-hexadecatriene-1,14,15-triol
Peak:m/z	Relative Intensity
51.11485	1.7
53.03893	1.6
53.22266	2.0
55.01813	3.3
55.05458	25.2
57.03356	2.5
57.06999	10.0
67.05430	23.2
69.03343	3.4
69.06986	55.5
71.04898	2.7
71.08556	2.0
79.05413	22.6
81.06512	3.0
81.06978	87.2
83.04905	3.2
83.08540	20.0
85.06460	8.2
91.05408	15.5
93.06976	50.2
95.04890	23.6
95.08535	57.7
97.06453	13.6
97.10098	12.4
105.06965	21.5
107.08543	33.4
109.06470	82.4
109.10104	35.9
111.04374	8.5
111.08012	21.7
113.09568	2.4
119.07788	2.3
119.08518	20.1
121.10098	34.7
123.08046	4.0
123.11651	24.7
125.05932	9.4
125.09612	3.9
127.07515	3.3
131.08601	2.2
133.10144	13.7
135.11687	14.7
136.72421	2.2
137.09589	3.7
137.13248	4.8
139.11159	2.1
147.11638	11.8
149.13205	12.1
151.11143	2.5
161.13203	14.7
163.14763	2.3
167.14409	2.4
183.88373	1.8
209.19180	4.1
217.19475	12.0
235.20497	11.2
287.23691	3.2
305.24707	16.8
323.25732	100.0
324.26154	4.4
333.88126	2.1
336.96072	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	341.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86916	3.4
55.01809	15.7
55.05462	48.1
55.57529	2.7
56.96505	4.8
57.07004	3.0
67.05440	29.1
69.03334	14.6
69.06709	3.4
69.07000	56.3
70.06535	3.1
71.04903	7.9
71.19273	3.2
79.05408	25.6
81.03339	4.0
81.06978	100.0
82.20667	3.6
83.04889	22.2
83.06006	3.3
83.08549	16.0
84.04411	6.8
85.02812	4.8
85.06468	12.0
91.05414	17.3
93.06983	61.5
95.04905	39.9
95.08543	51.6
95.96336	3.0
97.02831	3.1
97.06464	6.0
97.10098	3.9
99.04360	3.5
100.11198	12.6
103.66599	2.8
105.06979	20.9
107.08551	36.5
108.76160	3.1
109.06486	29.9
109.10106	31.2
111.08051	31.4
114.09126	7.7
116.98603	4.0
117.03326	3.8
119.08524	21.0
121.10114	31.9
123.11663	44.8
125.09619	5.5
127.07504	7.0
130.04968	21.6
131.08553	6.0
133.10097	13.9
134.99564	4.1
135.11662	15.6
137.09621	3.8
137.13261	5.1
139.11214	5.3
145.10152	5.8
147.11670	13.2
149.13295	5.9
159.11652	3.9
161.13252	5.3
163.11276	5.8
167.10677	7.9
177.05458	6.9
182.15399	5.8
189.04245	3.6
220.05269	4.0
227.17917	3.2
263.51868	3.6
267.19467	4.1
305.24680	19.0
323.25717	16.8
341.15604	3.5
341.19409	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	341.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	1.8
54.82150	1.2
55.01805	2.4
55.05453	14.9
57.07009	2.7
65.03839	1.3
67.05421	13.4
69.03341	2.6
69.06989	20.1
71.04906	1.8
71.08529	1.2
79.05407	17.6
81.06508	1.6
81.06975	48.2
83.04892	5.0
83.08543	10.0
85.02831	1.2
85.06451	2.1
91.05375	8.4
93.06973	18.1
95.04895	36.8
95.08525	18.1
97.06463	6.8
97.10084	1.8
98.97520	1.2
105.06967	8.6
107.08538	12.0
109.06464	100.0
109.10099	12.4
111.04404	1.4
111.08015	5.9
113.09528	1.1
116.98548	1.6
119.08552	4.6
121.06439	1.6
121.10104	13.9
123.08021	1.9
123.11655	2.7
127.07481	4.6
131.08510	1.7
133.10117	1.8
134.99602	1.5
135.08023	1.8
135.11620	2.4
137.09581	2.5
138.35045	1.2
143.07048	4.6
147.11737	2.0
149.09566	1.6
149.13281	2.7
163.11211	1.1
205.34653	1.2
258.03079	1.3
263.62842	1.3
269.22620	1.1
305.24509	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	1.3
53.03879	1.7
53.81812	0.7
55.01800	2.0
55.05448	22.0
57.03375	0.9
57.07010	9.9
59.04918	0.9
67.05070	1.2
67.05421	27.8
69.03339	5.5
69.06986	34.8
70.53028	0.7
71.04901	8.2
73.06493	0.9
74.61649	0.8
79.05413	19.3
81.03325	1.3
81.06973	100.0
83.04894	13.2
83.08528	6.3
85.02798	1.1
85.06462	14.6
86.52190	0.8
91.05401	13.2
93.06966	46.1
95.04893	60.2
95.08532	50.7
95.09151	1.4
97.06469	10.3
97.10093	3.6
98.97498	1.3
99.08020	4.0
101.05959	1.3
105.06968	22.8
107.08529	30.9
109.06477	21.1
109.10098	25.1
111.08041	8.6
111.11629	1.0
113.09573	1.7
117.06918	1.3
119.08526	17.2
121.06455	1.4
121.10087	24.7
123.07997	7.0
123.11654	27.2
125.09581	5.0
127.07486	7.2
131.08514	4.5
133.10091	7.8
135.08023	3.4
135.11650	12.7
137.05936	1.8
137.09618	1.5
137.13216	5.2
139.11186	6.4
140.80132	0.8
141.09016	1.3
143.08493	0.9
145.10110	7.8
147.11667	8.9
149.09587	4.2
149.13263	6.2
151.03830	1.0
151.11145	2.0
153.12813	1.3
155.10658	1.3
157.10129	1.5
159.11668	4.4
161.13254	4.5
163.11137	6.4
163.14830	1.8
165.12675	2.0
167.10634	1.0
175.14842	1.0
181.12189	1.6
187.14812	1.2
199.14842	1.2
213.16324	1.3
245.07019	1.2
249.18509	1.3
266.66504	1.0
269.22681	1.5
287.23633	4.8
305.24622	8.2
319.10300	1.2
323.25653	11.2
341.19302	2.0
341.26691	8.9
345.40302	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03869	3.5
53.71642	2.3
55.01802	10.4
55.05460	18.9
56.63225	2.4
57.07000	12.9
59.12083	2.5
65.93622	2.7
67.05437	27.5
68.04680	2.3
69.03344	5.3
69.06985	28.5
71.04907	6.7
73.33479	2.5
78.87099	2.6
79.05397	18.0
81.06973	100.0
83.04923	4.6
83.08538	12.1
83.74701	2.5
85.02814	2.6
85.06439	4.8
91.05399	13.5
93.06964	44.7
95.04906	22.6
95.08534	51.8
97.06452	3.9
97.10078	3.7
105.06976	19.1
107.08543	31.6
109.06475	42.5
109.10097	27.8
111.08033	51.0
117.06968	4.8
119.08519	14.3
121.10107	21.2
123.11659	75.5
125.09579	2.9
131.08589	3.0
133.10069	5.6
135.11627	11.8
137.09598	4.4
137.98093	2.4
139.11151	11.9
140.67766	2.5
145.10107	4.6
147.11673	6.0
148.50716	2.7
149.13229	5.4
159.11653	5.9
165.12735	3.9
168.36096	2.5
170.88379	2.8
192.20946	2.9
287.23657	3.6
305.24622	19.7
323.89313	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00268	1.7
53.03867	1.6
54.56799	1.3
55.01810	10.8
55.05445	23.7
55.92938	1.6
57.03376	1.7
57.07001	7.6
58.99517	8.0
63.22485	1.5
67.05436	25.2
69.03347	4.4
69.06984	40.8
71.04899	6.6
79.05412	14.9
81.06975	100.0
83.04902	9.4
83.08534	8.7
85.06473	28.4
91.05402	12.4
93.06982	36.9
95.04893	64.5
95.08536	51.1
97.06462	12.7
97.10110	2.0
99.04375	2.2
100.11196	8.0
105.06955	15.3
105.68193	1.9
107.08517	27.3
109.06470	27.0
109.10098	30.4
111.08034	36.0
111.11623	1.9
112.08363	9.9
113.08449	2.1
119.08542	13.2
121.10081	23.6
123.08074	3.5
123.11660	40.6
125.09566	2.4
131.08514	3.9
133.10085	9.5
134.28802	2.1
135.11656	4.6
137.09581	2.5
137.13228	7.9
139.11180	4.5
145.10144	7.0
147.11609	4.3
149.09595	4.1
149.13196	3.1
151.11137	2.5
156.13885	1.9
159.11681	2.5
161.13144	2.2
165.12659	3.6
166.06909	2.1
167.10663	3.3
173.16472	2.0
183.13786	2.8
185.11742	1.9
187.14699	2.5
213.16490	2.9
237.03203	2.6
249.18631	2.1
253.99315	9.1
287.23663	3.2
295.01996	4.2
305.24701	11.0
323.25708	11.0
341.02539	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	341.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28860	1.9
57.07009	34.4
57.29202	1.8
58.06528	3.2
65.32964	1.8
66.31618	2.0
67.05438	9.4
69.03338	2.9
69.06983	3.7
71.08550	19.9
72.04424	3.0
73.51548	2.1
81.06989	12.9
83.08527	2.8
85.02850	2.6
85.10096	11.9
86.05962	5.0
92.10816	3.0
93.06983	3.0
95.08527	13.5
103.08643	100.0
107.08604	2.4
109.10081	4.1
127.03835	2.9
131.11400	2.1
145.04913	4.1
239.23636	4.0
268.26456	3.2
296.25867	12.0
341.26654	10.6
342.37234	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	342.156
Annotation	His-Trp
Peak:m/z	Relative Intensity
56.04966	1.9
56.96498	1.9
57.03369	1.4
61.02845	0.4
66.08792	0.3
66.34343	0.4
68.34056	0.4
69.03338	2.2
69.79003	0.3
70.06516	2.8
71.01290	0.3
73.02835	0.4
81.03323	0.4
81.04443	0.8
81.06969	0.5
82.05213	0.5
83.04930	0.5
83.06026	12.9
84.04448	0.5
85.02834	4.8
93.04471	10.1
97.02811	1.5
98.97501	0.6
99.08006	1.7
109.06480	0.6
110.07116	100.0
116.98578	0.6
117.09065	5.3
127.03855	0.9
130.06502	1.6
134.99629	0.7
136.07660	0.4
138.06606	1.6
139.63890	0.4
146.05994	0.7
153.00964	0.4
156.07632	2.8
158.08430	0.5
159.09157	2.5
161.01227	0.6
163.09587	0.5
165.07654	0.6
167.66039	0.4
169.07600	2.7
183.43250	0.4
188.07057	2.2
195.08794	0.5
229.11813	0.6
296.15045	1.6
324.14511	3.4
342.15564	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	342.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23397	1.2
54.13021	1.1
54.81591	1.2
55.01827	1.4
56.96497	2.9
57.03142	1.1
57.03379	14.0
61.02856	6.4
66.95737	1.5
69.03347	15.0
71.04900	5.8
71.08539	2.5
73.02809	1.7
81.03345	3.5
81.06973	6.4
83.04885	1.6
84.04409	1.9
85.02821	33.7
92.10269	1.8
92.63903	1.4
97.02847	12.1
98.97540	1.3
99.04346	1.6
99.08022	23.2
105.19325	1.3
109.06470	3.5
110.07130	1.9
116.98546	3.2
117.09085	100.0
127.03834	5.5
127.07520	8.3
134.99654	2.8
145.04944	2.5
160.11772	1.5
163.03874	2.2
163.09630	11.9
258.82108	1.5
263.14282	1.5
334.78067	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	342.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	0.7
53.86424	0.7
54.81803	0.9
55.01803	0.9
55.05439	1.0
57.03373	14.8
59.04920	1.0
61.02847	4.9
68.93331	0.7
69.03338	5.2
70.06501	3.3
71.04894	3.7
71.08548	9.0
73.02844	1.1
73.06458	4.3
77.02464	0.8
78.38738	1.0
79.05393	1.9
81.03366	2.7
81.06502	1.3
81.06976	25.8
85.02828	27.2
85.06450	4.4
85.21329	0.7
88.58407	1.0
91.03900	0.8
97.02833	6.9
99.04402	1.2
99.08021	32.4
101.05954	1.4
109.02814	1.5
109.06468	30.8
112.11169	0.8
117.09081	100.0
127.03843	4.2
127.07516	46.3
129.91692	0.8
145.04901	1.6
145.08600	1.3
163.09618	21.9
209.16409	1.0
283.71225	1.1
342.23724	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	342.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	0.7
55.01815	0.8
57.03372	9.0
59.04939	0.6
61.02856	4.6
64.47661	0.6
65.36120	0.5
69.03351	9.7
70.06512	7.4
71.04906	3.0
71.08540	1.4
73.02825	2.4
79.05398	4.9
81.03334	3.9
81.06966	7.1
82.06478	1.6
84.04411	1.4
84.08105	0.7
85.02824	20.3
85.06442	1.3
87.00745	2.5
91.05424	3.1
93.06972	2.8
96.04440	0.7
97.02819	7.4
99.04370	2.6
99.08021	8.0
101.02359	0.7
105.01804	1.4
105.06963	16.1
107.08521	3.6
108.08051	0.9
109.02827	2.6
109.06471	2.9
117.06968	2.8
117.09077	40.5
120.08054	5.2
121.10158	1.0
123.28318	0.6
127.03860	6.3
127.07462	1.2
130.06477	0.8
130.07719	0.8
131.06985	0.9
132.08040	2.7
133.08818	2.6
134.09608	3.6
144.05032	0.8
145.04926	2.4
145.08563	0.6
145.09055	0.6
145.10088	6.9
146.09666	2.7
147.10446	6.3
148.81783	0.7
154.68744	0.6
160.11195	2.6
162.11362	1.1
162.12746	48.0
163.09624	5.2
180.13794	100.0
181.14125	1.2
193.26688	0.6
242.43384	0.7
278.09952	0.7
324.10706	0.9
342.19040	94.4
343.19525	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	342.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05456	0.5
57.06737	0.7
57.07014	18.6
57.62522	0.4
58.06530	0.8
60.42193	0.4
62.06021	5.0
69.03347	0.7
71.08249	0.4
71.08552	7.2
72.08068	2.8
73.60995	0.4
85.02840	1.6
85.10092	0.5
90.62417	0.4
97.02855	0.4
127.03921	0.7
145.25252	0.5
148.36166	0.5
156.17445	2.4
174.18518	6.6
212.23799	0.9
230.24745	6.5
235.55864	0.5
309.98163	0.6
324.36316	1.0
342.37250	100.0
343.37527	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	343.021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96494	0.7
60.58401	0.3
76.06657	0.3
76.89600	0.3
76.96254	0.3
97.27930	0.3
98.97505	7.1
99.97860	0.8
110.07084	1.2
116.98569	10.1
117.98874	0.7
134.99612	9.8
153.00676	1.9
177.00926	4.3
178.01001	0.5
210.99902	0.4
216.98763	1.2
219.01952	9.0
220.02080	0.6
222.97826	0.8
234.99953	9.9
235.99979	1.4
240.99062	1.8
253.01004	6.0
258.99918	20.3
259.99945	4.4
261.03046	3.9
264.98914	2.2
277.00970	42.0
278.00961	9.6
279.00708	0.5
282.99924	35.3
283.99930	2.9
291.99747	1.5
295.01688	0.4
300.02542	0.5
301.00995	100.0
302.01059	8.0
303.01462	0.8
319.01978	9.0
320.02155	0.8
324.02576	1.6
325.01044	3.0
343.02023	23.6
344.02145	1.4
361.03070	10.3
362.03351	0.5
367.19095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	1.7
55.01807	13.2
57.03377	16.0
60.05024	1.0
61.02862	19.0
62.82633	1.0
64.32565	1.2
69.03350	43.2
70.06509	1.3
71.04915	2.2
72.08066	2.1
73.02827	11.4
81.03326	9.5
85.02829	100.0
86.03181	1.4
86.09623	1.6
87.04413	1.8
91.03883	8.9
91.73965	1.3
92.10867	3.5
97.02825	29.4
99.04384	8.0
101.02338	5.8
108.68394	1.2
109.02834	12.3
109.36652	1.2
109.52452	1.3
111.73731	1.2
112.05571	1.1
115.03889	5.6
117.09062	6.7
118.08596	2.4
122.07104	1.2
127.02946	1.6
127.03881	41.2
128.04213	4.7
145.04926	27.5
163.06046	9.0
245.05054	1.7
292.96375	1.3
305.38315	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25531	3.1
67.05423	2.9
81.06985	35.6
81.89008	2.5
82.59752	2.7
85.07968	2.6
87.72817	2.7
92.10886	12.6
92.64221	2.7
93.06972	15.2
95.08542	9.7
97.70813	2.4
109.10121	4.2
119.08527	3.3
121.10109	4.1
123.11651	14.0
133.10141	4.9
139.07486	4.2
143.60153	3.2
149.05951	5.7
151.07484	3.5
161.09537	15.1
167.07001	100.0
173.41711	3.2
180.78523	3.0
189.09061	36.6
200.97221	3.2
205.08492	5.0
207.10129	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	1.3
55.01798	2.4
55.05447	14.1
55.10030	1.1
57.07016	10.2
58.69927	1.3
59.58447	1.2
61.02848	1.3
64.61535	1.1
66.29004	1.0
67.05437	15.1
69.06987	43.3
71.04909	6.1
79.05415	9.1
79.05804	1.1
81.06969	48.3
83.04876	1.8
83.08538	14.6
85.06449	4.7
91.05386	8.6
93.06966	36.3
95.04891	100.0
95.08522	37.2
97.06463	2.7
97.10098	2.4
101.05939	2.7
105.06960	6.9
107.08546	19.2
109.06464	21.8
109.10102	21.3
111.08032	5.5
119.08527	3.0
121.10104	10.2
123.11641	7.7
125.09586	1.2
127.07510	17.3
133.10077	2.5
135.11623	6.8
137.09576	2.1
137.13211	6.3
147.11647	2.0
149.13213	7.3
151.03207	12.7
163.11169	1.4
163.14783	5.3
165.12636	1.1
212.94579	1.2
219.20874	1.5
231.68361	1.3
232.95479	1.4
237.22090	2.5
271.24136	2.6
289.25201	11.1
307.26071	6.4
325.27332	8.5
326.27271	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47740	4.1
55.05449	48.6
56.96485	5.3
57.07003	22.7
60.04459	18.3
64.33257	4.3
67.05434	82.7
69.06992	47.2
71.08542	18.8
71.96272	4.9
76.38696	5.1
78.16698	4.8
79.05400	32.8
81.06970	100.0
83.08547	33.0
85.02837	7.4
85.06433	5.6
85.10101	9.6
91.05406	21.1
93.06965	31.7
95.08550	82.0
97.06455	8.0
97.10106	11.2
98.97506	11.0
99.08023	10.5
105.06986	6.4
107.08558	8.9
109.06441	5.6
109.10106	33.6
113.09558	6.9
116.98582	8.1
121.10101	20.8
123.11700	7.9
131.08527	7.6
133.10170	4.9
135.11644	11.2
147.11597	5.2
149.09473	6.0
156.95624	4.8
257.76672	5.3
279.23166	31.0
296.97742	7.3
298.47073	5.3
345.20441	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	344.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	1.7
53.17251	0.7
53.80230	0.8
56.96508	0.8
57.03371	1.9
60.04469	1.2
61.02853	4.1
61.31001	0.9
69.03347	12.4
70.06522	6.9
71.04906	1.1
72.05772	0.9
72.08070	7.9
73.02811	1.1
80.32587	0.8
81.03343	5.2
84.04415	2.1
84.08073	1.6
85.02827	30.0
91.05407	18.3
97.02824	8.5
98.90273	0.9
99.04372	1.3
102.59189	0.9
103.05410	1.3
104.20446	0.8
109.02823	4.1
112.07585	0.9
115.49499	0.9
116.07056	8.7
119.04900	57.7
123.04397	5.5
127.03871	1.7
136.07553	100.0
145.04982	1.5
147.04324	3.5
152.06779	4.7
158.06645	1.4
164.07161	1.0
165.05428	7.6
176.07632	1.9
178.08675	1.0
182.08090	61.1
188.07430	2.8
191.72668	0.9
215.01689	1.1
215.13889	1.8
224.09251	0.9
321.11386	0.9
344.13358	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	344.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	52.8
63.58941	10.8
67.05412	75.2
69.06980	58.4
71.04903	24.5
79.05415	100.0
81.03334	53.0
81.06984	92.5
83.04879	23.9
91.05399	61.7
93.06953	29.6
95.04878	29.3
95.08529	19.3
97.06437	20.1
105.06950	53.4
107.08527	25.1
109.06444	54.3
119.08492	16.6
121.10084	21.0
133.10065	15.7
149.09630	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	344.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15117	2.8
55.01824	5.0
55.05455	44.5
57.03368	3.3
57.06992	6.4
57.40062	3.1
59.04920	3.8
67.05426	100.0
68.24738	3.0
69.06986	30.5
71.04915	6.7
71.08541	8.8
79.05408	46.7
81.06979	79.2
83.04886	14.7
83.08524	22.6
85.06442	5.0
91.05397	31.3
93.06968	51.9
95.04898	13.1
95.08539	49.5
97.06483	6.0
97.10078	4.0
104.99232	25.4
105.06974	23.5
107.08533	24.2
108.98583	3.3
109.10108	42.7
117.06917	5.9
119.08540	18.3
121.10112	14.3
125.09528	4.9
131.08498	5.5
133.10104	13.1
139.11182	6.3
149.13184	4.9
150.94476	3.4
173.11685	23.4
175.14781	5.2
195.13780	4.0
199.83408	3.6
262.98026	8.1
277.21646	28.0
309.24286	5.5
344.25565	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	44.8
57.03361	6.5
57.07003	11.2
57.64318	5.7
60.04448	7.8
67.05426	100.0
69.06998	37.9
70.06512	5.0
71.04899	8.6
71.08552	7.5
79.05386	30.7
81.03305	5.6
81.06988	86.4
83.04898	12.7
83.08539	11.0
86.09594	5.5
91.05400	32.8
91.87508	5.0
93.06972	50.8
95.04890	11.7
95.08543	41.5
104.10660	6.1
104.99210	29.5
105.06976	13.2
107.08531	26.2
109.06487	7.7
109.10105	52.6
119.08542	24.8
121.10091	7.6
131.08496	12.2
133.10159	5.2
135.11646	6.7
149.13278	6.6
159.11731	6.6
173.11687	31.7
187.13101	8.4
201.15961	6.1
259.20560	7.6
277.21628	12.9
306.58774	6.2
344.25418	25.5
360.17670	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	345.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04962	1.6
56.96502	1.1
59.05479	0.6
60.80672	0.6
65.50372	0.6
70.06501	1.2
72.08041	1.0
77.54212	0.6
79.05405	0.6
82.94320	0.6
83.06026	4.0
86.03461	3.4
95.06005	3.5
96.04396	0.9
98.97491	1.0
104.04916	0.9
104.99178	0.8
105.03317	0.9
105.05736	1.3
106.06477	1.5
111.05527	10.2
116.98551	0.7
120.04419	7.2
122.82870	0.7
126.06619	7.4
130.06517	1.2
132.04411	54.8
132.08018	1.2
132.75711	0.6
134.05977	9.6
137.04686	5.2
150.05467	9.1
151.06128	26.4
158.06021	0.7
166.07150	1.4
176.07112	1.3
177.04062	0.9
187.08731	1.7
194.06660	7.1
195.07468	1.2
202.09724	3.2
203.08102	1.4
214.09721	0.8
216.11276	1.1
227.09087	0.8
230.09227	1.6
231.07635	3.6
232.10675	2.9
242.00308	0.7
242.09169	9.9
252.70389	0.7
257.10260	12.4
259.11807	19.3
274.12881	0.9
284.11365	4.8
302.12405	30.8
327.11926	4.2
331.26440	0.7
345.12979	100.0
346.13306	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	345.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53424	0.5
51.01108	0.4
54.48792	0.4
54.98058	0.4
56.04963	3.0
63.90015	0.5
65.27551	0.5
70.06506	0.6
83.06018	3.5
85.74980	0.5
86.03461	2.7
95.06002	2.4
99.63123	0.5
104.04963	0.7
105.03323	1.1
105.05716	2.2
106.06506	0.8
111.05517	8.1
120.04401	5.1
122.07198	0.6
123.05482	1.2
125.05787	1.1
126.06580	3.3
127.07320	0.6
127.89661	0.6
132.04417	41.5
132.05438	1.3
132.08052	1.2
133.05238	0.6
134.05984	8.2
137.04671	3.5
140.08151	0.5
150.05452	7.0
151.06125	22.4
166.07243	1.1
170.24272	0.6
176.06990	0.7
177.03978	0.7
187.08672	1.2
194.06749	5.9
195.07512	0.8
202.09618	4.0
203.08151	2.6
216.11217	1.0
230.09196	2.9
231.07622	5.0
232.10686	4.1
242.09180	8.1
257.10306	9.1
258.08682	0.9
259.11835	16.5
284.11353	7.5
302.12396	27.2
303.12958	0.6
327.12057	3.0
345.12991	100.0
346.13278	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	346.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.4
55.01815	0.3
56.04956	0.5
57.03362	0.7
58.06511	0.6
60.08081	0.7
61.02852	0.6
65.03854	0.5
68.16895	0.3
69.03356	2.9
70.06511	5.6
72.08061	1.9
73.02835	0.7
74.06017	0.3
81.03324	1.2
82.08881	0.3
84.04411	0.6
85.02822	4.7
86.09618	2.6
87.04373	0.4
90.94756	0.3
92.10222	0.4
95.97272	0.3
96.07991	0.3
97.02809	1.5
98.97482	0.4
99.68253	0.3
102.05504	0.4
109.02784	0.4
116.07093	0.3
116.98612	0.4
120.04414	0.6
123.04398	0.3
126.05349	0.3
127.04971	0.3
129.16281	0.3
132.04466	0.3
132.10202	0.5
138.05467	4.1
142.08607	5.1
148.03906	55.0
158.17110	0.3
166.04956	100.0
167.05360	0.7
177.00685	0.4
178.42917	0.3
184.06013	54.5
191.97197	0.4
229.13095	0.5
229.15408	16.0
284.09769	0.3
306.83084	0.3
345.22324	0.6
346.11017	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	346.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00261	0.4
53.03883	3.4
53.25525	0.5
55.01803	3.4
56.96491	4.0
57.03380	7.1
61.02856	14.0
64.33175	0.6
65.03860	0.9
67.05405	0.6
69.03008	0.9
69.03352	21.6
70.06505	2.5
71.04916	1.4
72.08044	1.4
73.02840	4.1
79.05408	5.4
81.03335	11.5
84.04429	0.8
85.02827	100.0
86.03188	0.7
86.09628	2.4
87.04376	2.7
91.03400	0.6
91.03884	5.2
91.05402	10.1
93.06887	0.6
94.41569	0.6
95.01228	0.8
95.04927	0.6
96.30610	0.5
97.02818	24.0
98.97507	6.2
99.04384	4.0
103.05405	13.1
107.04887	2.2
109.02826	9.7
110.03616	6.6
110.06006	0.8
111.04422	1.3
115.03883	0.9
116.98567	7.4
117.03312	0.8
117.11532	0.6
119.04893	8.8
120.02980	0.6
120.10542	0.6
121.06455	56.7
125.05951	25.3
127.03867	20.2
128.98546	1.0
131.00128	2.3
131.04907	2.5
134.99577	3.0
139.03868	4.9
139.07506	0.9
141.05460	3.4
143.00203	0.6
145.02939	1.0
145.04930	19.3
146.99629	1.4
147.04395	8.8
149.01167	2.7
149.05977	2.4
151.03889	1.4
153.05440	43.8
154.06210	13.3
155.03343	1.3
158.99664	1.3
161.01208	2.3
163.05972	5.0
167.06998	6.3
169.04924	8.2
170.05708	4.3
170.99687	0.8
175.03868	10.1
176.04182	0.6
177.00620	1.2
177.05527	1.3
179.02228	2.8
180.08722	0.8
181.43752	0.6
184.07289	2.7
185.08046	41.7
189.00687	1.0
191.02278	0.7
197.03273	1.0
207.06506	9.5
208.06752	0.7
219.01651	3.0
237.02751	6.7
323.06512	2.8
346.08902	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	346.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55805	1.0
55.05450	25.6
55.93465	2.1
56.04995	1.1
56.96501	4.6
57.03370	8.1
59.04931	1.4
61.01077	39.5
61.02853	4.3
67.05431	5.3
69.03352	6.1
69.06987	4.7
70.06510	1.4
71.04910	8.2
71.92906	1.5
72.08071	38.2
72.08455	1.9
72.90939	1.0
72.93703	2.6
73.02837	1.4
73.06512	1.7
73.71192	1.0
74.81178	0.9
75.02619	2.3
81.03352	2.2
83.04900	80.2
84.04423	1.2
85.02831	22.4
86.09629	57.2
87.02614	12.6
87.04414	1.4
89.04161	2.2
90.94763	6.3
97.02822	6.4
99.04422	1.5
101.05953	94.9
103.05734	5.2
109.02793	1.3
109.75135	1.1
113.04173	1.1
116.98588	2.0
118.08566	3.8
119.06991	1.4
127.03879	2.3
127.19181	1.1
130.05035	1.2
131.05225	16.9
132.04451	6.6
132.95807	1.2
133.04868	1.6
138.09094	1.9
139.61578	1.2
149.01155	1.2
149.06290	100.0
149.96114	4.6
150.96890	2.8
151.06148	4.3
167.07336	36.2
167.97220	2.6
171.98099	1.3
184.09636	1.1
185.16415	12.1
190.95380	2.2
191.97163	2.2
193.30095	1.3
213.15950	6.1
219.96626	1.9
257.21393	1.1
303.12857	1.2
345.13058	2.5
346.13098	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	346.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01798	0.2
57.80464	0.1
58.06531	4.1
59.07307	0.9
60.08095	5.7
68.04932	0.6
70.06508	21.2
70.68769	0.1
71.06826	0.2
72.08052	0.3
96.08080	0.5
98.05977	0.3
114.05480	2.9
114.09124	1.0
116.07034	0.8
118.08607	2.1
124.07538	3.0
126.09110	0.6
133.93564	0.1
142.08611	28.1
143.08907	0.2
156.71385	0.1
164.03084	0.1
170.08073	1.3
229.15430	100.0
230.15753	1.2
346.04947	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01811	0.3
56.04955	1.2
56.96500	0.3
58.06528	3.8
59.07324	0.4
60.08096	5.3
69.03332	0.5
70.06507	23.5
71.04894	0.2
72.08070	1.1
73.02794	0.3
74.06001	0.3
84.08067	0.3
85.02847	0.9
86.09629	5.0
92.98176	0.2
97.02824	0.4
98.05952	0.3
98.97469	0.2
113.03437	0.3
114.05473	2.6
114.09108	1.4
116.07005	1.3
124.07552	3.0
126.09090	0.4
127.03874	0.4
129.10146	0.2
132.10144	0.9
138.05473	0.4
142.08611	25.7
148.03894	9.1
155.47247	0.2
166.04961	15.5
167.06999	0.4
170.08084	1.1
184.06004	6.9
215.09669	0.2
229.15425	100.0
230.15706	1.1
346.22733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38950	1.5
54.81969	1.5
55.01813	2.1
55.05452	34.6
56.04973	14.5
57.03366	1.5
57.07011	28.2
57.50564	1.4
58.06545	5.9
60.04456	100.0
60.04762	4.1
63.29760	1.6
67.05426	37.3
69.03355	2.2
69.06992	26.9
70.02861	2.7
70.06506	3.8
71.04912	1.7
71.08555	12.2
71.65872	1.3
72.04429	4.1
79.05406	29.6
81.06972	35.8
82.06487	17.9
83.04909	15.2
83.08542	17.9
84.04431	3.3
85.10108	3.3
86.05992	29.1
86.09605	2.1
88.03902	8.7
91.05418	3.7
93.06976	33.1
95.04884	3.1
95.07259	1.8
95.08534	31.6
96.08067	3.0
97.06450	3.9
97.10106	8.9
107.08531	13.8
109.10098	10.7
121.10076	14.0
123.11655	3.6
135.11661	8.6
149.13141	2.0
163.99902	1.5
184.08064	2.0
234.14937	2.7
247.24118	3.0
254.28343	7.2
264.26743	11.3
265.25165	16.4
270.27859	8.2
282.24924	3.3
282.27817	44.4
292.26401	12.4
295.44885	1.9
300.29053	13.9
310.27261	16.0
328.28336	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	346.3101
Annotation	Funtumafrine C
Peak:m/z	Relative Intensity
57.07013	1.0
61.88295	0.4
65.03857	2.4
81.06968	0.6
81.41581	0.4
91.05406	100.0
92.05737	1.1
92.10315	0.8
97.84321	0.5
346.30981	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	346.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07012	17.9
58.06524	3.4
70.06141	1.3
70.06508	32.0
71.08544	5.6
85.10089	1.4
88.07552	38.6
88.12434	0.7
95.37276	0.8
102.09113	20.5
131.31091	0.7
132.10213	1.1
150.11249	1.0
207.26791	0.7
240.26880	1.1
284.29410	66.2
284.61169	0.8
285.29843	1.2
320.80319	0.9
328.32062	4.8
346.33081	100.0
347.33646	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	346.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53197	0.6
53.00235	1.0
54.06991	0.6
55.05440	3.3
56.96497	1.9
57.07009	16.0
58.06529	0.9
67.05436	1.2
68.04942	0.9
69.06952	1.2
70.06506	33.6
71.08545	7.9
81.06964	1.6
83.08524	1.0
84.08055	0.9
86.09624	3.7
87.04338	0.8
88.07549	30.4
93.06954	0.8
97.10081	1.0
98.97540	0.8
102.09142	1.3
104.10686	3.7
106.08586	4.1
110.28574	0.7
114.09115	11.4
118.08588	1.7
131.00127	1.0
132.10162	37.1
133.10152	0.8
138.52956	6.6
147.53468	1.5
149.01230	1.1
150.11232	24.6
157.53729	1.1
166.54225	1.2
184.07245	3.1
210.40195	0.8
237.02777	1.0
246.51207	0.8
270.27866	1.4
284.29431	1.4
302.30457	8.1
317.40848	0.8
346.33081	100.0
347.33395	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	346.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81677	2.7
55.05457	3.1
56.04975	26.9
57.07006	17.7
58.06527	4.8
60.04451	4.7
65.67407	2.4
66.37704	2.4
67.39458	2.1
70.39622	2.2
71.08527	4.0
74.05990	17.9
77.43331	2.8
81.06963	2.7
88.07554	87.4
100.46077	2.4
101.43810	2.5
103.25945	2.9
118.08585	18.1
122.08041	4.8
131.42001	2.4
132.92964	2.6
135.07953	9.1
137.71742	2.9
147.57278	2.9
240.72365	2.8
298.31021	62.3
298.76489	2.5
346.27054	4.8
346.28552	4.4
346.33096	100.0
355.23248	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	346.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07021	17.4
58.06536	2.3
60.25062	1.9
70.06509	30.6
71.08552	3.7
88.07561	39.7
92.13444	2.0
102.09122	24.9
284.29431	69.7
328.31842	3.0
346.33130	100.0
367.55328	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	347.1302
Annotation	Nordercitin
Peak:m/z	Relative Intensity
50.68375	1.2
56.96490	1.9
68.10824	1.2
69.03343	2.3
69.09303	1.2
69.52473	1.3
72.93688	2.7
84.08118	1.4
85.02837	2.1
86.09589	1.1
88.65653	1.4
90.94789	1.5
92.10977	2.3
97.02827	1.6
110.62135	1.3
115.24255	1.4
118.06492	2.8
119.01852	11.9
130.06516	10.5
131.06764	1.6
132.04437	1.7
132.08043	2.1
136.06158	6.6
137.02950	12.1
144.08115	2.1
146.06000	6.0
149.96091	1.3
151.72531	1.3
167.97131	1.6
171.98169	1.3
185.04225	2.4
185.07852	18.5
188.07094	4.5
203.05299	5.9
230.30606	1.3
233.98064	1.6
261.05475	1.7
270.06006	1.9
279.06540	1.8
285.13037	2.1
288.07016	1.8
301.12476	30.8
346.13290	1.8
347.13049	100.0
347.16626	6.0
348.13437	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	347.1319
Annotation	Koaburside
Peak:m/z	Relative Intensity
50.26711	0.8
53.53782	1.0
57.03379	1.0
63.96414	0.8
64.87251	1.0
65.15063	1.1
69.03328	1.5
79.01748	1.4
81.03331	1.2
85.02818	1.6
86.09626	2.2
95.01251	1.8
96.68559	1.1
98.97485	1.3
110.03598	16.1
111.04386	4.7
125.05950	69.0
127.03881	1.5
139.03874	14.7
151.03918	1.4
153.05444	93.5
154.06236	41.3
155.03342	2.3
170.05695	10.6
185.08049	100.0
186.08292	1.2
203.05186	4.2
221.08168	1.2
247.39511	1.1
248.57216	1.1
285.13214	1.3
301.12500	26.1
347.09039	2.2
347.13013	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	347.1335
Annotation	Koaburside
Peak:m/z	Relative Intensity
56.96507	1.9
57.03381	0.8
61.02844	0.8
67.05433	0.9
69.03346	0.7
69.06967	0.5
70.06499	3.9
72.08064	2.6
73.30901	0.6
74.80284	0.6
75.04408	0.9
79.01732	0.6
79.05422	1.4
82.04089	0.9
83.04902	0.8
84.04463	0.9
84.08063	2.9
84.76392	0.7
85.02824	4.5
86.09620	4.1
91.05418	0.8
95.01250	2.9
95.04894	1.4
95.08532	0.7
97.02866	0.9
98.97527	2.7
107.04898	3.4
108.05223	1.2
109.02855	0.7
110.03609	17.9
111.04400	4.9
115.08626	1.0
116.98602	2.4
123.04413	1.1
124.05144	0.7
125.05947	66.9
127.03867	3.1
127.86034	0.6
129.10210	0.9
131.04906	0.8
132.08171	0.6
134.99603	1.1
136.06157	0.8
139.03874	10.7
146.05997	3.2
149.05965	0.6
153.05444	100.0
154.06232	39.0
154.07503	0.6
155.03395	3.5
155.06909	0.9
170.05696	13.9
170.07040	1.0
185.08052	96.0
186.08430	0.9
188.07010	4.5
205.09700	0.7
219.07745	0.7
253.74820	0.6
264.30911	0.6
304.19647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1335
Annotation	Koaburside
Peak:m/z	Relative Intensity
50.80905	0.4
51.73146	0.4
55.01808	0.6
57.03372	0.4
61.02856	1.1
64.34178	0.5
65.03848	0.5
65.98103	0.4
67.05418	0.5
68.99689	0.8
69.03360	3.9
70.06509	0.6
72.08048	0.6
73.62993	0.5
75.04401	0.8
79.01766	0.9
79.05397	0.8
81.03325	0.8
82.04126	0.7
84.04411	0.8
85.02828	12.3
86.03149	2.2
86.09632	0.6
91.05405	0.8
92.10921	0.6
95.01259	3.6
95.04868	1.0
97.02825	4.6
97.06447	0.5
99.04384	0.7
103.05422	0.7
104.05743	0.6
106.95017	0.5
109.02830	1.2
110.03612	21.2
111.04396	3.9
112.05219	0.5
116.98559	0.9
118.91048	0.6
119.04941	0.6
121.06457	4.3
122.06802	1.9
123.04375	1.9
125.05949	70.3
127.03871	5.0
134.03564	0.6
135.04382	0.5
138.03139	0.8
139.03867	13.1
140.04604	0.8
145.04932	2.2
151.03886	0.8
152.14435	0.5
153.05443	100.0
154.06227	39.8
154.07527	0.9
155.03339	3.9
155.06905	0.9
156.04123	0.6
167.07124	0.6
169.04880	1.7
170.05702	11.5
174.50862	0.6
175.03851	0.6
185.08055	89.3
186.08356	2.1
198.55936	0.6
201.14177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.9462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16888	1.3
58.59190	1.0
62.86758	1.1
70.95779	2.9
72.93697	1.7
80.66091	1.1
88.96854	1.4
90.94771	2.1
98.97512	6.5
102.38875	1.4
102.74708	1.4
114.24081	1.4
116.97186	1.6
116.98579	7.6
132.95796	7.2
134.99612	6.3
136.06128	1.6
149.97182	7.1
150.96854	25.5
151.97070	1.9
152.96931	1.6
160.64316	1.2
165.58882	1.4
180.88771	2.1
198.85356	2.4
206.92549	1.7
210.94850	2.4
216.86572	4.6
218.86247	1.7
222.89833	25.4
223.89877	1.8
229.89586	7.5
239.91185	2.7
240.90884	100.0
241.90977	13.6
242.90935	7.7
247.90594	14.1
248.77258	1.4
252.95787	10.6
258.87494	10.9
258.92459	1.3
259.87616	5.3
260.87378	6.2
263.92249	2.1
264.90854	4.7
279.89618	2.0
281.91187	11.8
282.88699	2.0
282.91754	23.8
283.88132	1.6
283.91443	2.3
288.90747	2.3
289.41150	1.5
297.90530	3.0
300.88583	10.5
301.88794	15.0
302.88354	8.0
306.91882	30.8
323.92465	2.4
324.92975	15.8
361.65753	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.07
Annotation	Adenosine monophosphate
Peak:m/z	Relative Intensity
51.57648	0.2
51.71385	0.2
60.04775	0.2
60.64262	0.2
69.03334	1.2
70.06499	1.1
71.34943	0.2
72.08064	0.6
77.21665	0.3
84.04433	0.3
84.08045	0.3
86.09624	4.8
97.02213	0.5
97.02822	8.1
98.98390	0.3
106.21141	0.2
119.03501	0.5
132.10178	2.1
136.06163	100.0
137.04564	1.6
145.78247	0.3
191.47249	0.3
204.70247	0.2
224.01042	0.3
229.15424	0.3
230.15770	0.5
348.07010	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	348.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48059	2.2
54.82618	2.3
56.96486	6.3
60.03889	2.1
60.04447	10.5
65.03851	14.2
69.03343	6.3
69.06963	2.8
70.06501	13.5
72.08057	4.7
72.93691	3.5
74.70160	2.7
81.03304	2.4
81.44845	2.3
82.71983	2.5
83.94047	2.5
84.04412	5.9
84.08075	3.3
85.02810	25.4
86.09634	35.0
87.09940	3.5
88.03918	3.6
93.03327	5.6
97.02827	27.6
98.97491	3.6
109.02780	2.8
110.03627	4.1
111.04391	57.8
125.05984	28.5
127.03860	4.5
129.10216	3.1
131.11496	2.9
134.99641	3.8
136.06154	100.0
151.03854	16.0
169.04890	43.1
178.31369	2.8
189.08781	2.9
191.97079	2.8
201.12279	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	348.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01813	5.3
55.05455	51.2
57.03369	5.3
57.07022	5.1
67.05425	100.0
69.06986	21.1
71.04895	5.4
71.08544	22.0
79.05399	40.7
80.25890	3.3
81.06968	88.6
81.66983	2.9
83.04897	6.1
83.08528	38.9
85.06474	3.4
89.79134	3.0
91.05396	32.5
93.06956	48.8
93.07462	4.4
94.45390	3.0
95.04861	6.0
95.08540	30.5
97.06477	7.4
97.10080	28.0
99.08022	13.9
105.06963	15.2
107.08526	29.8
108.45813	3.5
109.06409	3.9
109.10104	57.9
111.08041	6.0
117.06998	6.9
119.08503	13.6
121.10075	15.3
123.11717	4.1
123.25311	3.4
125.09570	14.4
131.08545	5.9
133.10088	17.2
135.11656	12.7
145.10092	3.3
147.11659	6.7
149.13214	21.1
151.11143	3.6
155.10724	3.9
159.11646	6.7
161.13234	5.1
173.11696	46.7
177.12715	7.4
186.94879	3.5
189.11177	7.0
195.13754	34.5
213.14786	23.2
239.17317	3.5
244.10146	3.3
255.45155	4.1
259.46930	3.6
277.21472	27.8
295.22672	17.6
342.87216	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	18.6
63.45872	4.6
64.15579	4.4
66.15835	4.6
67.05414	9.4
69.06989	100.0
70.06500	6.6
70.80252	5.7
75.38820	4.1
81.06985	5.2
82.45016	4.5
84.08057	22.9
86.09630	99.1
95.08504	9.2
99.08766	4.8
99.73354	5.0
101.49535	4.9
109.10072	6.2
112.07545	83.5
139.02441	4.8
140.10643	6.9
154.12212	10.4
182.15202	7.0
286.96204	5.0
348.32581	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82169	0.4
55.87130	0.4
58.06535	8.9
62.39923	0.5
68.02448	0.4
70.06503	3.0
72.08081	6.7
76.83929	0.5
84.08068	36.9
91.05399	6.3
92.10242	0.7
95.05673	0.5
98.09612	0.7
108.30555	0.6
112.11192	78.3
113.11534	0.6
116.98586	0.6
119.04894	24.6
129.12862	0.7
129.13834	30.6
147.04387	100.0
148.04773	2.0
155.11716	0.5
203.11734	0.7
203.22180	0.9
204.10165	20.9
218.11533	0.8
275.17435	8.1
302.52875	0.5
325.58600	0.6
332.23148	0.8
349.25909	45.3
350.26315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79381	1.8
55.05449	23.9
56.15063	1.9
56.96473	3.3
57.03364	2.4
57.07000	12.2
58.22956	1.6
67.05426	18.2
69.06983	33.8
70.06493	3.1
71.08558	1.9
79.05390	10.3
81.06979	18.5
83.04886	2.6
83.08526	11.8
91.05401	10.6
93.06967	19.5
95.08545	15.7
96.46980	1.7
105.06956	13.0
107.08549	30.9
109.06451	3.7
109.10085	9.3
111.08014	3.8
119.08517	34.4
121.06487	7.8
121.10110	18.9
123.08009	11.9
131.08463	3.3
133.10065	15.4
134.99620	1.9
135.08032	15.5
135.11653	10.9
136.08768	4.7
145.10052	8.3
147.08032	37.8
147.09087	3.6
147.11610	4.6
149.09560	9.0
149.13223	7.7
159.11615	8.4
161.13280	2.5
163.14790	3.8
172.95238	3.8
173.13203	3.0
175.14859	2.6
177.12656	2.8
179.14243	4.8
190.96295	2.5
191.14270	16.6
213.56679	1.9
275.27072	2.2
303.26761	23.2
331.26263	100.0
331.30212	3.7
337.20517	3.0
348.33688	8.5
349.23511	6.9
363.08640	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
54.81811	0.9
55.01797	1.9
55.05454	11.5
55.37093	0.9
57.07010	1.1
58.29818	0.8
60.51162	0.8
67.05414	4.2
69.06992	17.2
69.94962	0.9
79.05387	4.1
81.06969	11.5
83.04902	1.2
83.08528	5.0
85.06485	0.9
91.05417	1.3
93.06964	7.5
95.04913	1.2
95.08521	11.9
97.06477	1.5
107.08542	6.6
109.06471	17.5
109.10096	6.3
111.08047	1.2
119.08553	2.4
121.10095	4.1
122.07203	1.6
123.08020	100.0
123.11624	1.1
133.10068	2.1
135.08023	10.8
135.11665	2.4
137.09575	4.3
142.88075	1.1
147.11667	1.7
149.09644	1.4
161.13240	1.2
170.59593	1.0
179.14278	6.8
189.07362	1.2
200.22768	0.9
275.19971	1.7
293.21054	19.6
311.09351	1.1
331.26242	1.3
346.83228	1.0
349.27289	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2735
Annotation	6-Pentadecylsalicylic acid
Peak:m/z	Relative Intensity
55.05452	13.9
57.07002	6.9
61.95504	0.9
67.05425	16.3
69.03351	1.6
69.06982	14.5
71.04903	1.3
71.08550	1.2
72.08064	5.0
75.46255	1.2
79.05400	7.9
81.06972	19.4
83.04897	4.6
83.08521	2.4
91.05391	7.5
93.06977	16.1
95.04890	1.2
95.08530	27.9
97.10101	1.4
99.42122	1.0
105.06987	10.8
107.07861	1.7
107.08537	31.5
108.73129	1.0
109.06473	4.9
109.10088	7.4
111.07991	1.1
117.06979	1.6
119.07774	1.3
119.08542	23.5
121.06406	1.1
121.10091	19.0
122.07234	1.4
123.08031	16.2
123.11672	2.1
131.08537	4.2
133.10077	15.7
135.08061	12.6
135.11664	8.9
136.08771	1.9
137.09589	7.3
137.13243	5.0
145.10129	6.4
147.11673	6.0
149.09616	7.9
149.13245	2.4
159.11705	1.2
161.13188	7.2
162.28510	1.2
163.11118	2.5
163.14796	7.5
165.12677	5.3
173.13278	1.9
175.14819	2.5
177.12787	1.6
179.14201	11.3
191.14302	9.5
228.97791	1.3
303.26733	31.8
304.26889	1.3
313.24774	1.4
331.26236	100.0
332.26663	1.4
349.19693	1.5
349.27173	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.96944	2.0
55.05446	10.1
57.07010	2.1
67.05424	4.8
69.06994	19.3
74.01956	1.9
79.05410	8.2
79.48117	2.2
81.06966	11.7
83.08521	8.0
83.84872	2.4
84.65365	2.0
93.06958	8.7
95.08532	5.4
101.59031	2.1
105.06991	3.9
107.08534	4.1
109.06477	19.9
109.07096	2.1
109.10106	2.7
121.10130	4.1
123.08026	100.0
135.08009	4.9
137.09601	3.0
179.14282	5.5
197.17543	2.2
259.56140	2.4
293.21158	24.7
331.26172	2.7
349.27338	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04960	3.1
56.72764	0.7
57.84625	0.6
60.04443	0.9
67.05418	0.9
69.06986	0.8
70.06520	5.9
70.07316	0.7
72.08076	1.5
81.06951	0.9
82.02859	1.4
84.04425	47.2
84.08058	2.8
85.02839	1.1
86.09601	1.1
90.13473	0.7
91.05404	1.0
92.38987	0.8
94.05962	0.7
94.06480	5.1
94.40491	0.7
95.04865	0.7
96.04405	1.4
98.97510	1.4
102.05494	1.3
110.07086	1.1
116.07044	2.3
116.98624	1.1
120.08047	4.4
124.03903	1.0
130.04964	4.4
130.06490	68.0
132.04408	41.4
132.07912	0.8
144.08034	1.1
147.04431	1.2
147.08034	0.9
148.33868	0.8
157.07588	33.3
158.05981	100.0
159.06276	1.3
159.09106	1.5
175.08627	98.0
176.06987	1.1
185.07042	0.9
186.05475	3.3
203.08125	3.3
204.06554	3.2
221.09171	48.4
241.09749	1.7
259.01147	1.4
287.10153	2.9
332.12308	1.2
333.10898	1.2
349.18268	4.5
350.13306	5.0
350.18176	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	350.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81901	0.9
56.04967	2.1
56.96503	2.1
70.06506	9.4
70.90412	0.9
72.08072	1.2
78.32863	0.8
82.02876	1.5
84.04428	48.3
84.08064	3.6
84.82086	1.0
85.02834	2.2
86.09623	6.9
91.05410	2.1
94.06487	4.2
95.04890	1.3
96.04483	0.9
98.97489	1.4
105.03342	1.0
107.08493	1.8
110.07102	1.9
116.98594	1.9
120.08049	1.1
125.05929	1.5
130.04948	4.7
130.06497	63.3
132.04416	44.7
134.99658	2.2
135.08063	1.1
135.11658	6.3
137.05959	1.4
137.69553	0.9
144.08044	4.0
147.04376	1.4
148.07520	1.2
153.05426	1.8
157.07576	29.0
158.05977	91.4
173.12984	1.2
175.08635	100.0
176.07008	1.1
177.05424	1.5
186.05385	1.5
203.08160	2.1
204.06551	2.2
211.65746	1.0
221.09175	44.3
237.02769	1.5
239.14735	0.9
241.09564	1.8
269.80887	1.1
275.54675	1.0
290.03091	1.2
350.08347	1.8
350.13409	1.7
351.10526	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49895	1.6
55.63288	2.2
56.96487	8.0
57.03356	2.4
61.02852	2.3
62.46433	1.7
65.03854	5.0
69.03324	5.0
70.06490	8.0
72.08074	2.3
81.03335	3.5
82.06489	2.4
83.04890	2.8
84.04427	10.0
84.91956	2.3
85.02821	24.6
86.09635	3.5
97.02838	8.5
98.97487	3.5
102.96892	2.0
109.02773	2.0
111.03669	3.1
111.04390	52.6
116.98560	3.3
121.03952	2.4
134.99573	2.9
139.03873	100.0
139.04929	4.6
145.15903	2.0
148.22774	2.1
156.04184	2.8
158.06175	2.1
161.01215	7.5
164.02252	9.5
167.73856	2.6
171.06479	61.2
177.00706	2.3
182.03366	2.5
260.72214	2.1
267.00098	3.6
267.76141	2.0
276.07492	10.8
285.54318	2.0
319.81696	2.3
327.28110	2.0
334.47849	2.0
347.47998	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28316	1.3
53.27327	1.2
55.01815	2.1
55.05441	8.5
56.04718	1.7
56.04975	30.1
56.96491	6.4
57.03360	7.3
57.06989	1.7
58.99517	22.2
61.01075	1.8
64.33481	1.7
67.05432	35.0
69.03342	3.1
69.06990	16.2
70.06509	40.1
71.04900	6.5
74.00564	6.8
76.02141	12.7
79.05416	12.8
81.06976	14.2
83.04876	2.3
83.08534	2.6
84.04414	1.9
85.01038	10.1
85.02822	7.3
85.06468	1.7
86.00575	91.0
86.98970	15.3
87.02618	6.5
88.02106	3.3
88.03918	6.2
91.05415	17.5
93.06971	21.3
94.06508	1.5
95.04949	3.0
95.08529	13.8
97.01050	44.1
97.06441	6.4
98.97523	7.2
99.02590	2.0
102.96920	1.8
105.00053	1.8
105.06997	3.8
107.08518	12.0
109.06454	2.6
109.10114	21.7
110.03586	2.2
111.02572	1.8
111.08018	3.3
112.08678	6.1
116.05253	1.6
116.98594	7.8
117.06940	3.5
119.04887	2.5
119.08545	11.1
120.08057	3.4
122.02656	2.0
125.04153	2.4
125.05923	2.2
126.12714	1.6
132.01111	70.2
133.10085	3.7
134.99628	8.5
135.08028	9.5
137.09595	11.0
145.26212	1.4
151.05740	5.5
153.00661	2.0
153.05418	3.4
154.12251	20.9
166.60956	1.6
167.08871	2.4
169.06790	6.3
175.03879	8.1
178.12206	1.8
184.11540	1.9
185.08058	9.8
195.08328	5.9
203.02161	1.6
207.06474	11.7
212.11003	56.6
229.14227	2.0
230.12071	16.7
256.97433	1.9
258.11536	20.3
304.15628	1.8
325.06372	1.8
332.15186	12.2
350.16223	100.0
351.16672	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	350.2688
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
55.01798	2.6
55.05439	10.7
67.05417	25.7
68.60266	2.4
70.05235	2.5
71.90338	3.2
72.04431	100.0
74.63474	2.9
79.05402	26.3
81.06942	23.7
84.51481	2.4
87.60778	3.1
89.05920	3.4
90.05485	70.7
91.05382	10.5
93.06963	29.1
95.04887	3.9
95.08526	17.2
97.10084	4.0
99.80515	2.5
100.21964	2.5
107.00961	2.6
107.08540	35.3
109.10078	4.7
114.09129	6.8
119.08537	4.2
121.10060	10.6
125.09567	13.3
125.42009	3.0
131.08569	3.3
133.10182	3.3
135.08023	3.8
135.11581	3.6
153.09013	5.5
170.15353	27.7
179.10599	24.6
198.14827	62.7
254.55646	3.3
261.22031	4.3
261.94492	2.6
350.26852	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	350.3051
Annotation	8,11,14-Eicosatrienoylethanolamide
Peak:m/z	Relative Intensity
50.72619	2.4
55.05449	14.8
57.07004	14.3
59.04881	3.0
67.05414	19.5
69.06989	17.5
71.08543	6.7
72.04431	76.4
79.05402	15.8
81.06975	28.7
83.08537	5.0
89.05956	38.9
91.05386	4.3
93.06962	21.7
95.04892	4.5
95.07988	3.5
95.08526	31.7
97.10085	2.9
105.06994	3.2
107.08554	28.9
109.06467	4.8
109.10076	7.1
114.09084	4.9
119.08437	4.3
121.10104	5.6
123.08022	12.7
123.11708	3.9
133.10190	4.4
151.09622	24.2
152.58360	3.3
162.80666	3.5
175.14842	3.9
179.14287	16.0
244.67145	4.2
305.24609	12.5
305.83347	3.1
307.51517	3.0
324.37814	4.6
332.29254	4.2
333.27927	3.9
350.30475	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	1.7
54.00585	0.8
55.01808	1.3
55.05456	12.2
57.07013	10.1
60.08096	100.0
67.05436	11.3
69.06989	13.4
70.28865	0.8
71.08546	18.9
71.49931	0.9
74.70071	0.7
79.05412	8.5
81.06980	17.6
83.08537	3.6
86.05984	3.7
89.05974	8.1
91.05405	2.0
92.38894	1.0
93.06973	13.0
95.04890	4.8
95.08525	15.7
97.06468	3.9
97.10096	2.1
99.08029	3.5
105.06989	3.8
107.08530	10.5
109.06477	11.5
109.10103	6.9
119.08534	5.0
120.14930	0.9
121.10106	3.7
123.08029	0.9
123.11630	1.4
128.10675	1.3
133.10138	3.6
135.11653	1.3
137.09679	0.9
138.12810	1.2
145.10117	1.1
147.08035	0.9
151.09644	4.3
152.30646	0.9
156.13748	1.1
163.14844	1.0
165.12715	16.2
175.14828	1.6
179.14284	1.8
200.77011	0.9
225.12762	1.1
226.18060	1.7
235.16924	1.9
252.23222	13.0
267.17365	1.1
271.02765	0.9
291.23175	11.6
332.29727	1.6
350.30463	57.0
351.23264	4.7
351.30783	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	350.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54671	1.4
54.81612	1.6
55.13871	1.4
57.06737	2.6
57.07014	77.7
60.23741	1.5
71.08190	2.8
71.08549	66.0
85.10106	26.0
89.05955	100.0
92.10908	2.2
99.11652	2.9
107.06983	2.8
127.57954	1.9
133.08553	8.7
151.09630	74.9
151.10815	3.3
221.64873	2.0
227.94034	1.7
328.59741	2.4
333.29950	14.7
364.92020	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	350.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	7.7
55.01805	1.8
55.05193	2.9
55.05446	69.7
57.07008	18.7
67.05418	19.2
68.44514	1.8
69.06985	73.0
71.04887	2.4
71.08543	82.0
74.70804	2.0
79.05406	4.6
81.06966	28.4
83.08538	25.8
86.05973	9.6
86.09584	2.7
88.10654	3.6
88.11187	94.5
89.05946	29.9
91.05406	3.8
93.06925	4.5
95.08531	27.3
97.06450	4.5
97.10110	10.4
100.07539	2.7
107.08508	2.4
109.10131	13.9
114.09098	4.1
124.64731	1.9
128.24345	1.7
133.10158	4.3
142.12228	2.2
147.11681	2.5
149.13297	2.2
151.09613	22.8
156.13815	8.4
170.15381	9.6
184.16864	4.0
198.18544	3.5
212.20139	2.2
240.23137	2.2
240.73816	2.0
278.02106	2.0
285.61554	2.0
336.96957	1.8
350.34067	100.0
351.34381	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	350.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	2.4
53.03867	1.9
54.16155	1.0
55.01804	1.4
55.05456	60.6
57.07016	10.4
58.02882	1.6
59.75829	1.0
63.63155	1.1
66.36331	1.0
67.05428	23.9
69.06989	72.9
70.06519	1.4
71.08549	74.8
72.04437	1.8
72.35303	1.2
79.05418	5.9
81.06978	34.1
83.04916	1.2
83.08535	22.4
86.05984	8.0
86.09618	2.9
88.11197	100.0
89.05942	10.2
91.05399	6.5
93.06966	8.4
95.08540	28.5
97.06429	2.7
97.10096	10.9
105.06995	5.2
107.08536	5.9
109.06485	1.5
109.10108	13.6
114.09122	5.7
119.08515	5.0
121.10127	2.1
123.11673	2.7
133.10110	4.5
139.69864	1.2
142.12260	4.7
147.11748	1.9
151.09631	5.0
156.13850	10.7
170.15382	10.3
176.04169	1.3
184.16949	5.7
198.18544	4.9
212.20016	3.0
226.21648	2.4
238.21698	1.7
240.23183	1.5
254.24730	2.0
262.31461	1.2
280.26169	2.0
340.17758	1.4
350.34116	98.9
351.34531	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	351.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	2.9
55.05454	39.0
56.04969	2.8
56.96495	4.1
59.40685	2.0
60.04436	3.9
60.05571	3.9
69.03350	5.4
69.06978	3.5
70.06509	37.5
72.08066	4.6
73.02811	4.8
79.05382	2.7
81.03345	3.6
83.04446	3.8
83.04903	85.1
83.08519	15.7
84.04425	25.8
84.08061	5.0
85.02844	19.4
86.05977	4.8
86.09612	16.5
91.05394	3.3
92.10261	5.9
93.06950	3.6
95.01286	5.1
95.04886	3.2
97.02792	5.8
98.97532	6.1
105.00017	16.2
106.02879	2.9
107.08484	2.6
110.05995	26.3
110.07101	6.3
111.63041	2.4
116.98597	6.3
117.03242	3.1
124.03920	23.3
129.10204	14.9
130.06456	13.7
131.06905	3.3
132.04489	6.0
132.08034	3.2
133.03140	17.5
134.99634	4.8
135.11664	5.7
136.07518	3.0
141.01794	4.9
144.08061	11.7
145.02805	12.0
147.04347	3.8
150.05493	3.8
152.21793	2.7
157.07520	3.1
157.08653	3.2
158.05965	13.6
159.06310	6.2
175.08635	10.6
176.07053	6.2
176.08958	5.0
177.00731	2.9
177.05487	5.9
185.04245	3.2
189.05206	22.5
203.05214	3.2
221.09396	13.9
222.09608	4.0
248.13945	29.1
266.14899	4.7
268.08060	5.3
274.52353	2.6
279.03815	2.6
279.84439	2.7
351.10431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96499	18.7
57.03366	3.8
59.93671	1.6
66.47466	1.8
67.05431	2.8
69.03341	9.7
69.06963	2.4
70.06488	4.0
72.08066	2.4
73.02837	2.9
81.03325	11.3
84.04418	8.0
84.08054	2.6
84.95970	5.1
85.02815	10.3
86.09642	20.6
97.02830	8.7
98.97514	3.0
108.04405	23.7
110.05943	2.8
110.07110	2.2
111.04385	4.0
116.98549	4.1
120.08090	3.7
127.03899	2.7
132.10210	4.3
134.99622	4.5
136.03909	2.1
136.07561	8.1
139.03909	4.4
140.04218	2.0
140.07089	3.2
143.00134	11.5
149.01201	2.6
156.06517	2.5
161.01172	18.2
162.99202	7.4
171.06500	3.4
179.02225	3.5
181.00212	2.0
189.12271	2.3
205.00148	4.4
221.12843	11.6
223.01146	2.6
225.40329	2.3
227.42654	2.1
237.02879	2.1
267.13287	27.9
315.15482	4.7
351.10776	100.0
360.23419	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24375	0.3
52.95343	0.4
55.05438	0.8
57.04502	3.2
59.96927	0.4
70.06500	1.8
72.08067	11.3
74.07089	1.8
74.38392	0.4
81.44896	0.5
84.04369	0.6
87.05585	0.5
89.10667	0.5
91.05408	19.8
93.06911	0.5
96.54350	0.4
97.07588	0.5
98.05949	0.6
100.08637	0.5
103.05392	0.6
105.03316	0.7
114.09133	0.5
114.10237	2.6
115.08649	0.6
117.03346	0.4
119.04895	46.8
128.11803	10.9
129.10205	1.8
131.04852	0.5
132.02040	0.9
134.05978	0.7
145.02820	0.8
145.14473	1.8
147.04387	48.3
148.04803	0.6
148.07547	1.6
157.03909	3.6
159.11304	0.4
163.03862	0.6
164.04686	0.5
166.08554	0.6
175.03871	89.7
176.04329	0.8
179.06984	2.9
194.08138	1.7
198.78206	0.4
207.06494	100.0
208.06848	2.1
220.09721	0.9
220.85124	0.4
277.15353	4.1
278.13840	3.3
295.16565	2.1
300.61230	0.5
320.16141	0.7
332.29871	0.5
334.17435	3.7
350.19382	0.5
351.20193	48.6
352.20538	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01802	0.9
55.05466	0.8
56.96507	1.7
57.03377	1.3
57.04502	1.8
67.05431	0.9
70.06499	4.6
72.08070	9.0
74.07090	0.9
79.05409	2.1
81.06971	1.7
83.04862	0.9
84.08085	1.0
85.02837	4.0
86.23277	0.9
91.05410	15.7
93.06960	1.1
95.04931	1.3
95.08541	1.5
98.97549	1.0
114.10261	3.6
115.08624	1.3
115.44962	0.9
119.04893	27.2
128.11790	16.2
129.10176	3.1
130.06526	1.6
132.02022	2.1
132.04422	1.0
133.10135	0.8
134.99561	1.1
145.02856	1.6
145.10150	0.9
147.04395	36.3
157.03957	1.0
158.05991	4.3
160.01555	9.6
163.03864	1.0
164.04697	2.0
175.03877	74.3
175.08678	3.5
176.04504	1.3
178.02602	3.8
179.06984	8.5
192.04201	5.2
193.04915	1.9
200.34294	0.9
206.07915	0.9
207.06497	100.0
208.06905	3.3
221.09364	1.0
277.15442	6.5
278.13806	9.3
295.16644	1.3
334.17648	5.0
338.25681	1.0
351.20245	55.1
352.20380	0.9
366.42508	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	1.4
54.81657	1.1
55.05456	18.0
56.96507	1.3
57.03393	1.7
57.07003	2.8
62.66792	1.1
63.81596	1.2
67.05428	82.2
69.06985	21.4
71.04899	8.2
76.65594	1.3
79.05403	20.9
81.06973	100.0
83.08535	12.4
85.06479	5.2
91.05415	13.3
93.06973	28.9
95.04886	2.2
95.08535	89.7
97.06479	4.8
97.10108	7.7
99.08018	1.6
105.06947	11.4
107.08540	14.2
109.06537	1.6
109.10100	33.8
117.03301	1.4
117.06974	4.6
119.08537	14.2
121.10088	17.7
123.11659	15.6
131.08553	7.2
133.10088	8.5
134.26381	1.2
135.11604	10.6
137.09608	1.6
137.13226	6.7
145.02779	4.7
145.10063	8.2
147.11665	12.3
149.09567	1.8
151.11151	1.4
159.11696	2.1
161.13196	6.2
165.12675	1.7
173.13129	2.2
175.49585	1.1
176.51404	1.2
177.05351	3.2
179.14291	1.9
187.14850	2.6
201.01207	1.4
229.32825	1.3
243.21104	6.7
254.80312	1.5
261.22134	9.4
269.02994	1.6
279.23184	17.3
288.45706	1.3
297.24139	2.7
315.20728	2.8
349.83383	1.4
351.25433	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93832	2.1
55.01789	2.7
55.05448	26.5
67.05422	48.5
68.28449	2.5
69.06980	13.1
75.04395	3.9
79.05407	84.6
81.06972	47.3
83.08545	3.6
91.05392	85.7
93.06962	100.0
95.04894	15.4
95.08540	33.7
97.06463	3.5
103.05327	2.6
105.06964	95.4
107.08538	46.2
109.06439	3.0
109.10100	12.2
116.98528	3.2
117.06966	16.2
118.12579	2.5
119.08533	65.1
121.10098	39.3
129.06920	10.8
131.08498	20.0
133.10075	53.4
135.11636	19.9
143.08559	5.8
145.10101	16.8
147.11661	32.1
149.13223	11.9
157.10138	10.8
159.11690	17.9
161.13202	13.3
171.11662	10.8
173.13246	6.3
175.14752	4.3
185.13264	6.1
199.14787	3.9
223.15622	3.7
241.19453	13.7
259.20508	46.4
351.21268	4.7
351.25098	22.9
363.61755	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	6.8
55.05454	32.4
57.03368	5.2
64.20905	5.5
67.05430	55.2
69.06998	26.1
79.05411	79.4
81.06982	53.6
83.08497	9.5
91.05405	71.6
93.06978	100.0
95.04894	9.2
95.08540	37.3
105.06966	87.3
107.08543	66.7
109.10114	8.6
113.05956	7.7
115.62009	5.8
117.06987	24.6
119.08504	48.5
121.10114	38.4
129.06909	8.8
131.08508	32.3
133.10136	63.6
135.11696	27.3
137.05978	6.9
137.44041	6.1
138.90025	5.5
143.08490	7.5
145.10054	9.7
147.11678	35.5
149.13210	7.4
157.10158	6.3
159.11650	33.4
161.13300	12.4
173.13176	10.6
185.13242	10.5
187.14740	6.2
259.20517	46.9
271.71945	7.9
333.24304	7.2
351.25189	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16140	1.6
50.29324	1.7
53.03871	2.9
55.01821	3.0
55.05451	25.4
57.03370	4.2
57.06994	3.0
59.91202	2.0
65.03841	3.5
67.05428	51.4
69.06998	16.1
79.05409	100.0
81.06972	45.8
83.08557	2.3
91.05405	82.9
93.06969	88.3
95.04883	15.8
95.08522	31.9
104.51923	1.9
105.06966	79.4
107.08524	41.4
109.06470	3.7
109.10092	9.0
115.05410	2.4
116.37240	2.1
117.06956	16.7
117.17228	2.2
119.08528	64.6
121.10094	24.9
128.18959	2.2
129.06931	14.6
131.08534	24.4
133.10081	47.0
135.11664	17.3
143.08539	4.7
145.10075	16.3
147.11629	33.9
149.13225	8.4
157.10097	9.2
159.11639	14.2
161.13239	17.4
171.11691	10.9
173.13211	3.8
175.14758	4.6
185.13246	4.1
241.19424	14.3
245.12802	2.3
259.20474	44.7
351.25076	20.1
355.32147	2.3
357.59445	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	19.0
55.68161	10.6
57.03378	16.9
57.07018	12.3
67.05420	65.2
69.06989	18.4
69.36400	9.2
71.04886	9.7
79.05391	89.9
79.88090	10.7
81.06977	68.8
82.31693	10.2
87.99371	10.5
89.32981	11.0
91.05409	83.7
93.06971	85.5
95.04904	18.2
95.08540	46.7
97.06473	10.9
98.97529	15.4
105.06973	71.4
107.08543	43.8
109.10160	20.8
119.08540	47.4
121.10102	21.2
133.10150	41.9
137.05925	100.0
147.11655	20.8
159.11601	15.6
161.41864	12.0
182.04457	24.1
247.82021	14.9
259.20474	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	351.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	2.6
57.07014	11.8
63.10679	1.2
67.05419	1.2
69.06973	6.3
71.08533	8.8
81.06989	1.3
83.08538	2.3
88.07598	2.4
93.38759	1.2
104.99207	1.5
109.56090	1.3
118.02823	1.3
133.83591	1.4
137.03613	2.5
153.06712	12.7
167.08255	2.1
177.10382	2.1
195.11423	100.0
198.61403	1.5
239.14035	22.4
250.27605	1.4
270.04446	1.3
291.89734	1.3
319.62427	1.3
360.80908	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	352.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	0.4
53.90384	0.2
55.01814	0.5
55.05465	0.2
56.96504	0.2
57.03378	1.5
58.06539	6.5
60.04456	0.2
61.02845	2.2
67.05426	0.2
69.03352	4.0
69.06988	3.9
70.06506	1.0
71.04896	0.3
72.08083	0.3
73.02838	0.5
81.03349	1.8
84.04437	1.2
84.08080	2.4
85.02828	8.1
86.09630	2.8
87.04366	0.2
89.03847	1.0
91.03889	0.2
97.02831	3.0
98.97502	0.3
99.04389	1.0
109.02824	1.1
110.07119	0.3
114.52551	0.2
116.04940	1.2
118.08575	0.2
120.11327	0.2
120.25063	0.2
126.12744	8.4
127.03864	1.1
127.04945	0.2
128.67816	0.2
129.10172	0.2
134.05965	0.3
144.04401	0.2
144.13820	24.7
145.04951	0.4
146.05957	1.1
155.05319	0.2
162.05475	100.0
163.05850	0.4
172.13275	1.3
189.06488	0.2
190.04959	68.6
190.14354	16.5
191.05244	0.9
196.17403	0.2
200.34654	0.2
221.48726	0.3
352.19467	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	352.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	8.0
55.01812	4.5
55.05445	1.9
57.03368	3.8
60.04440	3.8
61.02848	9.1
62.01404	1.6
68.95457	1.7
68.99692	1.9
69.03350	48.1
69.06989	100.0
70.06512	13.7
71.04906	4.7
71.25259	1.6
72.08066	20.2
73.02822	4.6
79.05399	2.0
81.03342	23.5
81.06989	2.8
84.04424	3.4
84.08052	8.8
85.02345	3.9
85.02830	94.2
86.09616	4.0
87.00759	49.4
91.05408	16.5
95.04894	3.0
97.02824	50.5
98.97477	2.4
99.04387	18.2
105.01813	59.1
106.82261	1.9
109.02845	17.6
110.07085	2.5
112.11196	7.4
113.11533	2.8
116.98539	2.1
117.01785	2.6
119.04900	25.4
120.05238	3.6
120.08035	14.9
124.03873	2.4
125.56429	1.9
127.03875	59.0
128.11792	3.0
129.01770	2.4
129.10204	2.3
130.06554	2.3
130.14143	3.0
141.41943	1.9
145.04935	32.2
147.04395	32.5
148.04732	15.5
149.01071	1.9
149.04889	2.2
159.02827	13.0
159.11247	9.5
169.19493	1.8
175.03905	39.5
176.04286	13.4
187.10725	2.3
207.06487	40.0
208.06830	18.4
225.64375	2.1
231.04973	17.8
249.05969	8.9
299.11087	2.6
351.20215	17.4
351.26437	8.7
352.16409	2.5
352.20404	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	352.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	1.0
53.03884	0.9
53.17860	0.8
55.01810	1.5
55.05451	1.4
56.04975	1.3
56.96496	2.1
57.03368	4.5
58.06533	1.9
59.04935	1.4
60.56797	0.8
61.02844	5.2
67.05442	1.1
69.03349	18.7
69.06989	8.4
70.06510	34.3
71.04907	1.5
72.08062	1.4
73.02818	1.4
74.02314	0.8
81.03339	8.0
81.06969	1.5
84.04421	4.6
84.08067	9.6
85.02825	37.0
85.89703	1.1
86.09621	9.8
87.04375	1.0
90.05455	1.2
91.05379	1.2
97.02814	11.1
98.97544	1.2
99.04374	1.4
109.02834	1.5
110.07103	5.3
115.03878	1.2
116.07034	6.1
116.76323	1.0
119.01874	1.1
120.08066	22.8
121.08414	1.3
122.02698	1.2
126.12753	38.0
127.03853	4.9
127.13104	0.9
134.05963	1.0
134.99606	1.3
136.07545	3.8
137.02859	0.9
144.13812	100.0
145.04895	2.0
145.57507	0.9
146.99594	1.2
161.01190	1.6
162.05475	51.6
163.05861	1.5
166.08607	4.3
172.09543	0.9
172.13268	7.6
177.00714	1.0
190.04947	31.0
190.14342	82.9
191.05237	1.5
352.19623	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	352.2843
Annotation	Melophlin R
Peak:m/z	Relative Intensity
50.96070	1.8
51.75569	2.4
52.23404	1.9
54.65728	2.0
55.05450	27.9
55.99614	2.2
56.04969	10.7
58.02895	21.9
58.06519	4.8
67.05424	57.1
69.06982	31.9
70.06138	4.1
70.06508	79.1
71.08550	2.4
79.05408	37.8
80.04974	2.6
81.02396	2.4
81.06973	44.5
82.06487	29.6
83.04868	2.8
83.08535	10.3
83.62186	2.5
84.04427	14.9
84.08074	3.3
89.05960	3.0
91.05406	12.5
92.10259	6.1
93.06966	32.3
94.06492	18.7
95.04914	4.3
95.07269	4.2
95.08527	36.3
96.08036	26.5
105.06979	12.9
107.08538	15.6
108.08060	2.6
109.10111	16.3
110.09625	3.1
114.12761	3.5
119.08524	10.0
121.10088	12.5
126.12753	45.6
133.10066	2.8
135.11655	5.6
154.12201	11.6
164.29468	2.4
166.15892	24.2
180.13815	12.0
212.16438	40.4
220.16940	13.2
240.15979	3.3
252.19533	39.2
334.27197	4.2
352.28403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2843
Annotation	Melophlin E
Peak:m/z	Relative Intensity
50.09689	0.8
53.03879	1.3
55.05452	10.4
57.06999	6.2
65.03856	1.9
67.05082	1.4
67.05427	38.0
69.06639	1.0
69.06976	9.5
71.08532	2.2
76.23705	1.0
79.05411	9.8
81.06973	38.3
81.98524	1.1
83.08537	2.0
83.56580	1.0
85.10078	1.2
90.05479	100.0
91.05376	6.9
93.06969	10.8
95.04903	1.4
95.07968	1.6
95.08530	30.6
97.10080	1.2
105.06964	2.1
107.08542	5.2
109.10081	8.5
112.52018	1.0
119.08527	2.1
121.10104	4.3
123.11665	1.8
133.10098	1.5
151.09605	1.1
161.13193	1.6
212.41739	1.1
245.22626	1.6
263.23639	5.3
352.28281	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	352.2846
Annotation	Melophlin R
Peak:m/z	Relative Intensity
52.70697	0.7
54.81495	0.9
55.01806	1.2
55.05458	8.2
57.07013	3.8
57.83914	0.8
62.06021	100.0
65.97217	0.9
67.05430	8.6
69.07006	6.6
71.08549	8.2
72.08072	4.8
79.05405	5.2
79.92718	1.2
81.06971	12.6
83.08553	2.1
85.02840	0.9
91.05427	2.2
92.21678	0.9
93.06975	8.6
95.04890	4.8
95.08537	9.2
97.06481	2.1
98.05972	2.1
99.07990	1.8
105.06977	4.5
107.08547	3.6
109.06460	20.6
109.10117	4.4
116.98565	1.3
119.08551	4.7
121.10084	1.1
123.08044	1.6
123.15614	1.1
133.10074	1.1
135.11696	1.3
137.09642	1.3
137.89661	0.9
165.12720	30.9
175.14810	1.1
179.14195	1.0
235.16847	1.3
254.21112	1.6
259.75375	1.0
277.44568	1.0
291.23135	15.3
310.48801	1.0
323.73221	0.9
334.27313	5.5
334.31168	4.6
335.25821	4.4
352.28299	39.9
352.31873	5.6
366.88495	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72684	1.3
52.65913	1.3
53.03882	1.6
53.48015	1.2
55.01809	13.8
55.05449	33.9
55.73356	1.2
57.03366	2.7
57.07010	28.4
65.03860	1.4
67.05072	3.0
67.05427	78.1
69.06984	38.4
70.06501	6.8
71.04901	2.0
71.08543	23.1
79.05404	15.2
80.33336	1.5
81.06972	100.0
83.04894	6.6
83.08541	23.8
85.06493	2.0
91.05400	6.6
93.06973	16.9
95.04882	1.4
95.08536	84.2
97.06449	6.5
97.10091	6.9
105.06953	3.9
107.08505	13.4
109.10102	37.2
111.11694	1.8
115.08644	11.2
119.08522	1.9
121.10090	9.1
123.11639	13.5
125.09617	1.6
131.08524	2.5
133.10123	3.8
135.11656	7.1
137.13199	7.1
141.12698	2.7
145.10132	1.8
147.11656	3.4
149.13257	3.0
151.14845	1.8
153.12694	3.1
161.13289	3.8
195.17375	2.2
201.63776	1.7
236.35992	1.5
244.67506	1.6
251.20035	1.7
256.01233	1.5
317.28476	6.0
335.29385	54.8
352.31894	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	352.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	2.3
55.05462	15.1
57.07015	16.5
67.05408	4.2
69.06993	24.1
69.53255	1.5
71.08551	50.0
79.05405	2.8
80.66132	1.7
81.06991	3.7
83.08524	8.1
85.10098	2.8
86.05988	3.7
88.11187	41.6
93.06993	3.4
95.08533	1.9
97.10105	6.3
100.07541	2.9
111.07996	2.1
114.09126	3.3
125.81534	1.7
135.11632	1.8
150.92337	1.5
156.13841	3.2
170.15395	3.1
184.16891	3.4
189.74367	1.9
198.28595	1.6
286.50967	1.9
330.47101	1.8
334.15274	1.7
341.72424	1.9
352.35660	100.0
353.35898	3.4
379.07272	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	352.357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63227	0.9
57.07003	6.4
63.88959	1.0
66.99346	0.8
68.42754	1.0
69.06995	4.6
71.08524	1.2
81.06933	1.1
84.08101	1.6
85.17190	0.9
86.09624	42.3
129.87074	1.0
196.27281	1.0
263.82849	0.9
352.35663	100.0
353.35922	5.5
359.93866	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96259	0.8
55.01811	1.3
58.32163	1.0
60.05579	11.1
67.05415	1.8
69.03349	1.7
70.06511	27.1
71.04907	19.4
80.04932	1.6
84.04443	1.0
84.08070	1.0
85.02831	1.7
85.88936	1.0
88.07561	2.4
91.05401	1.7
96.04426	12.9
98.97530	1.3
108.04406	4.6
110.06017	1.9
120.04404	2.0
122.05958	1.6
124.03898	2.1
126.53799	1.1
127.87490	1.2
129.06926	1.5
130.09726	71.0
131.08531	1.4
136.03931	4.0
136.07538	10.2
138.05450	1.5
142.07700	1.4
143.08572	1.7
144.08058	1.7
146.05980	1.4
146.09647	1.4
148.03894	1.9
150.05536	2.3
151.03896	1.7
152.07066	1.5
156.08070	2.5
158.09579	2.5
160.07513	2.2
160.11188	1.1
162.09120	1.3
168.06590	1.5
170.09616	5.6
172.07545	1.6
172.09805	3.0
172.11180	1.9
173.10706	1.5
174.07823	1.7
174.09137	8.3
175.08646	6.5
184.07585	5.4
186.07707	1.6
186.09122	5.8
187.07312	1.8
187.08751	1.9
187.12341	11.5
188.09306	1.7
188.10745	2.1
190.08568	4.6
196.07477	1.1
197.08292	1.3
197.10751	1.9
198.09102	22.9
199.08636	7.4
200.07111	1.6
200.09373	10.0
200.10966	2.0
201.10167	10.2
202.08582	5.1
211.08684	4.6
212.07034	1.2
213.06592	5.2
213.10173	2.2
214.07056	7.3
214.10965	2.3
215.11754	36.7
216.10158	9.6
218.08122	6.2
225.10130	5.7
226.08568	11.6
227.08115	16.0
228.06717	1.4
228.08560	7.6
229.09702	16.2
239.08188	4.2
241.09709	4.1
242.10458	4.8
243.11218	49.1
244.09610	12.8
245.09143	2.6
246.07625	6.7
253.09697	3.9
254.07988	2.4
256.08362	1.5
257.09207	12.8
260.09137	4.3
262.10773	1.6
271.10696	100.0
272.08917	2.2
273.12289	5.7
281.09100	1.4
287.10144	1.7
289.11783	1.4
290.10004	11.0
299.10156	19.6
305.11151	1.4
306.09778	10.7
308.11292	4.8
317.11221	30.4
335.12296	30.7
336.10651	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	353.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98353	1.3
56.04960	1.3
56.96479	1.4
57.03397	1.5
57.07016	15.7
60.04427	1.7
60.57813	1.5
65.03853	2.8
67.05416	2.7
69.03347	3.8
70.06497	12.0
71.04889	1.4
72.08072	3.2
81.03305	2.2
84.08051	6.3
85.02823	3.1
85.06462	10.4
86.09618	3.1
91.05415	1.8
91.67479	1.5
95.01264	1.6
96.04420	1.5
97.02824	13.1
98.97495	1.8
107.04900	1.7
109.02837	3.1
111.04374	2.0
120.08048	2.0
122.05973	2.1
125.02318	1.5
128.06194	1.8
129.06982	1.6
129.17679	1.5
131.12827	1.6
134.05952	2.3
134.99605	1.6
136.07561	22.1
137.02307	3.5
139.03854	1.5
144.08032	3.0
146.09633	2.3
148.03853	2.0
148.07487	2.1
155.03348	2.9
158.09631	8.8
159.10146	8.8
160.07571	6.3
162.05443	21.5
164.07037	3.5
171.08006	2.1
172.06114	3.3
172.07477	17.7
173.08292	1.9
173.10764	2.8
174.09105	27.8
176.06958	1.7
180.06526	3.3
184.07556	15.4
185.08208	6.3
186.09082	23.9
188.10641	6.1
189.07742	6.7
189.10199	6.2
198.09065	7.2
200.07034	24.4
200.10712	3.0
201.10242	16.1
202.08583	3.2
211.08670	3.3
212.06927	3.2
213.07881	3.5
214.08647	36.2
216.06583	2.1
216.10231	6.4
217.09660	9.4
218.08104	2.4
226.08524	8.4
228.06487	6.6
228.10167	3.5
229.09660	37.9
230.08081	3.3
232.09575	7.8
242.08067	15.3
243.11147	2.4
244.05910	1.8
244.09595	6.2
245.06851	3.9
245.09167	37.1
246.07510	12.6
253.09665	9.3
257.09085	2.7
259.08383	19.8
259.10770	3.1
260.09103	30.8
271.10718	24.5
272.09009	8.7
274.10410	2.4
281.09076	9.2
287.10315	15.8
288.08554	2.9
290.10162	100.0
299.10272	9.1
300.08575	10.7
305.11227	2.9
305.81378	1.5
317.11246	3.1
318.09583	14.6
335.12271	7.5
336.10693	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00242	0.5
54.26456	0.4
54.92039	0.4
56.29094	0.5
57.03144	0.6
57.03376	10.0
57.07010	100.0
61.02836	0.5
63.70752	0.5
69.03321	0.8
70.06515	0.6
71.01235	0.7
73.02826	3.6
75.04375	1.1
80.09152	0.4
85.02825	11.8
85.06462	49.6
91.05414	0.8
95.01253	12.7
97.02836	0.6
98.97491	0.6
99.00718	0.8
103.03890	0.6
103.07512	8.3
113.02329	3.7
122.28561	0.5
131.03334	2.4
141.01801	14.7
148.82527	0.4
159.02826	0.9
159.10130	48.4
177.11180	13.3
182.33194	0.5
209.89433	0.5
218.82680	0.5
311.07895	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08519	0.5
62.07660	0.5
64.33517	0.6
65.03865	3.1
66.04651	0.5
67.05428	0.8
75.04102	0.6
75.16677	0.6
79.05405	5.9
80.16071	0.6
81.06969	1.0
91.05405	100.0
92.05714	1.0
92.10228	0.7
93.06984	0.9
95.04897	1.4
100.97869	0.7
107.00449	1.2
108.01220	6.1
183.03554	19.4
184.04338	3.0
184.16748	0.6
185.05090	7.0
196.92413	0.6
201.84654	0.7
202.05377	0.7
219.05666	0.8
261.08194	15.9
262.08917	6.1
293.07144	3.7
294.07993	19.2
353.14456	85.8
354.14728	5.8
373.76358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22380	0.3
60.05580	17.7
70.06510	34.3
71.04909	28.2
83.04906	0.3
88.07553	4.5
88.73579	0.3
89.74926	0.5
92.10893	0.6
98.97544	0.4
102.86700	0.3
106.41708	0.3
112.08659	2.1
114.16460	0.3
130.09729	100.0
131.10101	0.5
179.83011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81501	5.2
55.05449	26.6
56.96494	42.5
57.03365	6.3
60.05582	42.1
60.14308	4.3
67.05434	6.9
69.03357	10.0
70.06508	69.9
71.04917	5.8
72.08070	100.0
79.05414	6.0
80.96884	4.5
81.06968	11.8
84.04416	9.2
84.08070	19.9
85.02827	7.9
85.06469	6.2
86.07103	9.0
86.09623	12.5
91.05406	29.5
95.04850	7.8
97.02824	7.5
97.07603	10.5
98.05989	37.6
98.97508	31.1
105.06937	8.0
107.04898	17.5
107.08507	7.0
108.05323	4.8
110.07056	5.1
114.10264	58.9
115.08672	8.6
116.98608	48.7
117.03368	5.0
119.04917	8.1
119.08534	8.3
124.03925	21.9
130.09692	6.5
131.12906	10.4
133.02800	21.2
134.99635	47.3
135.04379	23.6
136.07567	25.2
136.82623	4.5
137.05975	6.3
137.07817	5.8
140.08131	8.5
145.02846	6.3
146.03583	7.6
147.04361	5.7
148.79965	5.2
151.03889	6.3
151.11070	5.0
152.07104	8.9
153.00673	9.2
157.10814	22.6
162.03070	10.5
163.03888	81.6
165.05411	6.4
167.07071	37.7
171.85382	4.8
173.13203	9.5
191.03401	35.1
193.04968	8.2
195.06558	7.9
219.23964	6.1
223.06140	10.4
234.11143	5.2
241.07562	8.0
248.09102	6.1
249.92627	4.8
250.08241	9.7
262.10611	6.9
265.07629	18.5
267.08847	7.7
293.06870	5.6
309.06415	7.8
311.08099	6.8
321.15585	38.2
322.16196	36.4
327.07428	8.1
353.18259	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	353.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00242	0.3
55.05434	0.2
55.83309	0.2
56.96502	0.4
57.03366	1.1
57.06731	0.3
57.07013	9.3
60.05579	15.4
69.03344	0.4
69.06985	0.2
70.06509	34.0
70.49883	0.2
71.04908	27.7
72.08058	0.3
73.02846	0.2
74.05993	0.2
75.87800	0.2
79.05389	0.2
81.03301	0.2
83.04875	0.2
84.04443	0.3
84.08037	0.4
85.02818	2.1
85.06467	7.4
86.09625	0.3
88.07548	3.8
91.05398	0.9
95.01263	1.5
95.04886	0.2
95.08562	0.3
97.02808	0.3
98.97542	0.3
103.07493	0.7
107.04877	0.4
112.08688	2.0
113.07098	0.2
116.98585	0.5
119.04910	0.8
130.09731	100.0
131.10065	0.4
134.99582	0.3
136.07539	0.3
141.01799	0.9
147.04410	1.1
151.03951	0.2
159.08897	0.3
159.10147	5.9
162.05550	0.3
169.16991	0.2
175.03802	0.3
177.05504	0.2
177.11131	1.7
207.06599	0.3
237.02708	0.3
262.23737	0.2
309.19656	0.3
311.08087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62176	3.0
55.05441	4.2
56.96259	3.6
56.96498	41.3
57.07016	3.5
67.05424	13.4
69.06977	5.6
74.97462	2.9
79.05399	5.7
81.06957	14.1
89.28424	3.0
90.39576	3.1
91.05394	3.6
92.10891	6.1
93.06962	13.8
94.38025	3.4
95.08500	3.9
98.97521	4.6
107.08517	5.3
111.07993	4.5
116.98598	7.8
121.10053	3.6
134.99599	6.9
162.19774	3.4
187.06305	5.3
191.05887	3.8
205.07500	3.6
213.07973	16.2
217.07285	6.0
231.08989	32.4
317.17801	4.4
335.18790	32.2
351.18320	5.2
353.19839	100.0
371.20963	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11150	5.5
53.36461	5.1
61.85685	5.2
72.04418	11.5
72.08855	5.6
75.79842	5.3
81.06969	11.4
88.35388	7.4
91.51442	6.1
93.06995	6.0
94.32150	6.7
114.37363	6.0
313.18460	7.6
331.67636	6.5
353.20547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89130	1.8
53.24501	1.7
57.30198	1.8
68.47238	2.1
69.23262	2.1
76.10256	2.2
81.06964	2.7
82.92078	1.9
85.32784	2.5
92.10910	2.4
106.31528	2.3
109.06446	2.9
111.07945	1.9
116.34769	2.3
127.07461	2.4
206.79607	2.3
317.20947	2.6
345.45865	2.3
353.22928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.23
Annotation	ent-Prostaglandin F2alpha
Peak:m/z	Relative Intensity
56.20781	4.7
57.31693	5.5
65.93034	5.4
67.05421	9.0
81.06996	6.5
91.05413	7.7
93.06998	6.3
95.04948	6.4
106.24870	6.5
109.06493	6.8
121.97616	5.5
129.38342	6.1
145.39490	6.2
168.82199	5.9
184.73344	6.6
239.51282	6.4
243.18907	6.0
353.23029	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82044	3.1
55.01803	11.4
55.05429	3.8
57.07020	3.2
62.06017	5.8
67.05414	6.1
69.03345	6.5
69.06961	2.9
79.05402	18.4
80.01403	2.4
81.06965	45.3
91.05421	5.1
93.06976	5.5
95.04879	17.5
95.08540	14.7
97.06451	3.9
105.06970	5.5
107.08533	6.9
109.06467	76.6
109.10098	12.8
111.04388	3.7
111.08082	2.9
119.08495	5.0
121.10104	3.6
122.34074	3.2
123.07990	7.0
127.07500	100.0
133.10112	5.3
137.09598	6.1
139.33894	3.1
205.06998	2.8
221.15367	10.9
353.22928	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88240	1.1
67.05416	1.7
81.06989	2.1
83.08504	1.1
95.08573	1.9
100.07121	1.3
115.68649	1.3
125.19965	1.3
177.84473	1.3
235.71169	1.3
353.15845	1.9
353.26599	100.0
354.27097	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03880	2.0
55.05456	16.6
55.32915	1.5
57.03364	3.2
57.07004	3.4
64.59560	1.5
65.03861	1.7
66.47164	1.5
67.05076	3.1
67.05431	90.7
69.06989	15.5
73.12904	1.5
79.05417	51.1
81.06975	100.0
83.08534	7.0
85.06502	1.7
91.05418	21.4
93.06975	61.5
95.04892	2.6
95.08533	70.5
97.06420	2.0
98.14448	1.7
105.07000	20.5
107.08544	36.4
109.10114	31.4
117.06961	10.1
119.08543	11.4
121.10095	25.9
123.11666	10.3
126.30801	1.6
131.08537	14.4
133.10101	8.6
135.11679	18.4
137.01483	1.7
137.13213	1.7
145.10129	9.8
147.11685	3.9
149.13243	9.7
159.11679	10.3
161.13220	4.0
163.14807	3.1
173.13260	10.0
176.05057	1.6
177.16350	3.3
187.14839	4.2
227.14471	2.0
230.91986	1.7
237.07701	1.8
243.20979	14.4
261.22061	42.2
335.25842	4.1
353.26694	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	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.25386	2.9
55.05456	26.2
57.07004	7.5
67.05426	100.0
68.05694	3.0
69.06977	17.3
79.05404	44.8
81.06969	87.2
83.08521	6.6
91.05423	30.6
92.64706	4.3
93.06971	69.0
95.04867	4.6
95.08528	57.8
96.10799	3.5
98.97516	3.2
99.54060	3.2
105.06979	23.9
107.08543	47.0
108.22559	3.4
109.10106	25.7
116.98550	4.6
117.06973	13.1
119.08502	12.1
121.10080	28.0
123.11639	7.7
131.08514	19.4
133.10075	7.3
134.99635	6.2
135.11650	17.7
137.13243	4.6
145.10101	16.5
149.13261	6.8
159.11678	6.5
161.13287	5.2
163.14813	5.9
173.13126	4.2
187.14766	3.4
194.44379	3.7
243.21001	7.2
261.22076	46.5
311.36279	3.6
335.25787	4.3
353.26788	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.00245	1.8
55.01484	1.6
55.01807	1.7
55.05451	32.1
57.03375	25.7
57.06778	1.7
57.07012	22.8
63.70445	1.9
65.03869	2.5
67.05431	100.0
69.06686	1.7
69.06990	27.3
71.04892	2.5
71.08228	2.1
71.08548	28.9
79.05410	44.7
81.06508	3.5
81.06977	98.0
83.04886	5.1
83.08543	19.9
85.06461	4.3
85.10118	21.5
91.05401	31.6
93.06432	3.2
93.06972	54.0
93.21519	2.2
95.04924	3.3
95.07968	3.0
95.08535	71.6
97.06441	4.2
97.10081	4.8
99.08021	13.7
105.06979	23.4
107.08538	34.5
109.06521	2.5
109.10117	20.6
111.07990	2.0
113.09578	14.1
114.38599	1.9
117.06946	3.3
119.08537	14.4
121.10117	19.9
123.11652	9.2
131.08560	15.8
133.10112	11.1
135.11655	15.4
137.09512	2.0
145.10057	4.1
147.11636	15.0
149.13203	13.5
159.11613	3.1
161.13187	3.2
163.14784	4.7
165.12651	2.7
173.13196	7.6
243.20934	10.0
249.77176	2.4
261.22031	20.9
279.23126	16.4
353.26849	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.23232	1.8
51.31024	1.4
53.00254	2.1
53.03895	2.0
55.01799	2.0
55.05454	19.3
56.96502	1.9
57.03368	4.1
57.07017	4.6
61.64222	1.5
67.05074	4.1
67.05428	100.0
69.06978	14.6
71.04888	2.3
75.04431	2.2
76.56028	1.7
79.04949	3.4
79.05408	77.3
81.06976	94.2
83.04938	2.4
83.08520	3.6
87.38915	1.7
91.05407	33.3
93.06973	87.6
95.04885	7.4
95.08530	72.6
97.06469	2.6
97.10087	2.9
98.97552	3.1
105.06964	26.8
107.08537	42.7
109.10105	24.0
111.08041	8.0
112.23920	2.0
113.09554	2.8
116.98576	3.2
117.06983	11.5
119.08533	11.3
121.10108	34.3
123.11620	7.8
131.08536	22.3
133.10086	11.4
134.99620	2.9
135.08110	2.4
135.11673	24.9
137.13231	3.4
139.98407	1.7
145.10101	18.3
147.11691	8.6
147.59291	2.2
149.09608	3.1
149.13280	13.6
159.11697	10.1
161.13229	8.3
163.11201	2.1
163.14803	4.5
173.13190	13.9
177.16347	3.8
187.14830	4.5
213.70535	2.0
233.22580	2.3
243.20924	20.1
261.22031	47.1
318.32275	1.9
335.45239	2.2
353.26810	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.43412	1.0
53.03878	2.4
55.05454	17.4
57.03379	4.8
57.07000	5.7
65.03871	1.6
67.05432	100.0
69.06990	12.6
71.08548	2.5
73.52023	1.1
75.86555	1.2
79.05410	52.1
81.06982	97.4
83.08527	5.3
91.05409	27.6
93.06979	67.8
95.04871	6.1
95.08536	62.4
97.06447	1.3
97.10117	2.4
105.06994	16.9
107.08541	40.0
109.10108	27.1
111.07996	1.3
117.07008	10.3
117.07719	1.1
119.08556	17.3
121.10104	30.9
123.11641	11.9
125.09575	1.3
131.08528	20.1
133.10117	12.3
135.11670	19.9
137.13194	2.5
145.10106	16.8
147.11687	6.5
149.13234	15.6
159.11639	8.9
161.13214	8.5
163.14766	8.2
173.13220	9.8
175.14790	2.3
177.16412	2.2
179.14345	1.2
185.23706	1.2
187.14803	6.3
201.16339	1.5
243.21002	16.7
261.22095	45.8
262.22525	1.6
279.23126	1.5
335.25540	5.4
349.12244	1.2
353.26819	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	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03868	2.3
55.01798	2.6
55.05442	18.3
57.07005	5.6
61.02194	2.3
62.55408	2.6
67.05071	4.6
67.05421	99.2
69.06977	15.0
70.06504	2.5
71.04874	2.7
71.66283	2.4
75.13369	2.8
79.05399	80.9
81.06966	100.0
83.08513	11.5
86.27784	2.9
91.05399	39.1
93.06964	97.7
95.04848	3.3
95.08524	76.5
98.97470	3.1
99.08025	3.0
101.32491	2.6
105.06983	26.8
107.08537	49.2
109.06465	3.9
109.10099	26.5
110.29263	2.5
117.06966	21.9
119.08508	18.6
121.10094	41.2
123.11636	4.2
131.08546	31.0
133.10081	11.6
133.81836	2.9
134.99570	3.5
135.11649	24.9
137.13171	4.1
145.10085	15.6
147.11644	13.6
149.13208	18.4
153.10265	2.6
159.11647	10.9
161.13168	6.5
163.14754	11.3
173.13210	16.8
233.22652	6.5
243.20967	24.7
261.22046	59.7
264.37061	3.2
354.56699	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56342	5.4
55.05443	38.0
57.07000	14.4
61.29573	5.8
67.05421	28.3
67.36794	5.7
68.43233	5.2
69.06982	39.4
71.04913	6.7
71.08537	12.7
79.05392	27.7
80.17922	6.6
81.06976	65.2
91.05396	13.7
93.06969	42.4
95.04916	12.9
95.08526	52.5
97.06467	8.2
99.08012	12.2
105.06989	12.3
107.08498	26.5
109.06442	29.9
109.10174	6.5
116.86345	6.0
116.95432	6.0
119.08504	11.5
121.10073	9.4
123.07957	11.0
131.08565	6.3
133.10037	7.3
134.12379	6.3
147.11632	6.6
165.12679	52.4
235.17003	7.4
291.23157	97.0
353.26813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06113	2.1
54.96112	2.5
55.05453	25.0
55.05666	2.1
57.03364	3.3
57.07008	5.8
63.12917	2.1
67.05427	100.0
69.06979	13.2
71.08564	3.3
75.83649	2.2
78.83403	2.3
79.05404	77.2
81.06976	94.5
83.08546	4.3
85.78360	2.4
88.48424	2.6
91.05408	36.6
92.10255	2.7
93.06972	86.1
95.08540	71.1
105.06956	30.6
107.08535	51.6
109.10098	22.0
113.69325	2.7
117.06976	13.0
119.08517	17.2
121.10077	35.5
123.11598	5.2
127.45230	2.4
131.08537	34.7
133.10139	9.5
135.11664	27.0
145.10104	19.1
147.11668	11.7
149.13220	10.9
159.11598	5.5
161.13231	13.1
163.14795	6.5
173.13234	12.0
175.14891	3.1
187.14806	3.0
219.17323	3.2
243.21027	20.8
261.22046	49.4
353.26978	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03890	1.1
55.05444	18.4
56.96497	2.9
57.03358	1.7
57.06996	3.1
65.03848	1.8
67.05424	100.0
69.06989	15.2
71.04012	1.5
71.08495	1.4
73.67660	1.1
75.27549	1.2
79.05404	71.9
81.06969	95.0
83.08521	7.0
85.06467	1.8
91.05402	36.8
93.06964	77.1
94.07291	2.0
94.94773	1.3
95.04874	6.2
95.08521	61.8
97.06474	4.8
97.10087	2.5
99.08013	2.4
105.06955	22.2
107.07868	2.3
107.08537	46.9
109.06467	2.5
109.10095	23.6
116.98595	1.6
117.06958	10.1
119.08527	16.3
121.10091	32.5
123.11655	8.1
131.08522	21.1
133.10092	10.5
135.11655	20.9
137.13226	1.9
145.10086	16.8
147.11655	10.3
149.13208	11.4
159.11646	6.3
161.13141	5.1
162.76277	1.2
163.14763	11.5
173.13235	9.7
175.14757	1.7
175.85838	1.3
177.16359	2.5
178.70015	1.5
187.14798	2.7
214.37627	1.2
217.07393	5.2
241.07434	1.9
243.20985	14.2
259.08521	6.6
261.22079	47.1
329.51837	1.4
335.18747	1.5
335.25662	3.1
353.19910	11.5
353.26688	6.4
371.20880	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.95376	0.7
53.03880	1.2
54.81733	0.6
55.05450	17.0
57.03374	7.1
57.03609	0.6
57.07008	4.5
59.03599	0.7
65.03857	3.4
67.05428	100.0
68.91516	0.7
69.06992	15.5
71.04898	1.4
71.08562	1.6
75.04377	0.9
79.05408	45.9
81.06976	91.3
83.08538	7.5
85.06472	1.6
91.05405	22.4
92.05727	0.8
93.06969	53.7
95.04911	3.5
95.08530	65.2
97.06440	3.9
97.10106	3.0
105.06976	16.7
107.08540	34.4
109.06468	1.3
109.10108	32.4
117.06974	7.6
119.08530	11.7
121.10101	25.5
123.07967	1.2
123.11665	9.5
125.09609	1.0
128.01801	0.7
129.06950	1.0
131.08531	17.5
133.10112	9.3
135.11662	21.6
137.09634	1.2
137.13208	3.5
145.10103	11.7
147.11678	7.9
149.13245	13.2
159.11641	8.5
161.13243	6.1
163.14828	6.3
173.13191	8.4
175.14699	1.0
177.16309	3.0
179.14102	0.7
187.14793	4.7
201.16374	1.3
243.21030	14.7
261.22095	39.2
279.23105	3.2
335.25748	10.1
336.26108	0.9
353.26785	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03874	2.5
55.05447	18.6
57.07007	4.3
66.56274	2.5
67.04272	2.5
67.05078	3.5
67.05425	91.1
69.06973	10.1
71.04909	2.6
74.91737	2.1
79.05409	52.3
81.06507	4.0
81.06979	100.0
81.22250	2.6
83.08541	3.4
87.45963	2.6
91.05400	22.9
93.06974	63.0
95.04895	5.4
95.08543	66.8
104.43183	2.3
105.06972	18.3
107.08527	45.6
109.10116	25.6
111.48949	2.2
117.06963	4.8
119.08520	16.1
121.10085	27.7
123.11656	5.1
131.08548	23.7
133.10074	11.8
135.11685	24.4
137.13264	3.2
145.10101	12.3
147.11644	5.9
149.13275	19.6
159.11661	9.5
161.13271	9.7
163.14737	5.1
170.53831	2.6
173.13220	9.4
226.34634	2.6
243.21046	13.3
261.22110	43.5
335.25671	3.4
353.26804	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	354.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95319	2.7
55.01811	23.5
56.96498	6.9
57.03361	7.1
57.37594	2.6
58.34061	2.7
68.33797	2.9
69.03336	16.0
71.04910	3.5
73.02822	4.1
74.00577	98.5
78.96716	5.0
81.03321	4.8
84.04427	100.0
85.02822	20.7
85.03946	17.6
87.00739	3.7
87.04361	3.5
91.05402	3.2
92.10862	4.8
93.06984	5.4
98.97511	6.2
109.02833	4.0
111.08055	3.7
112.03941	24.2
113.03439	4.9
116.98615	3.6
122.00891	56.9
127.03903	5.1
130.04961	73.5
130.05836	4.7
131.04486	17.7
132.34749	2.9
134.99608	3.7
161.01268	3.5
164.71834	3.4
177.03261	56.5
184.97351	4.0
208.00952	18.6
225.03566	33.7
279.04614	4.0
293.03699	3.2
293.07965	3.3
353.71512	3.7
354.07651	5.8
377.19391	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	354.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	1.3
55.05431	0.9
56.96501	0.8
60.05572	1.1
61.81487	0.7
67.05431	4.3
67.45336	0.7
68.56150	0.8
69.03338	1.1
70.06511	9.9
71.04913	4.5
71.06856	0.9
72.05242	1.2
72.08064	1.3
73.86214	0.7
79.05411	0.9
81.03322	1.1
81.06967	1.3
84.04433	1.6
84.08080	3.8
91.05424	1.5
94.06504	8.7
96.08141	1.1
98.97538	0.8
106.06483	1.2
108.08078	1.1
110.05981	1.0
116.98578	1.0
118.06502	3.4
119.04906	1.1
120.08086	1.1
122.05985	13.2
123.06747	1.4
124.07578	6.3
130.06499	100.0
130.09744	16.3
131.10118	3.8
131.76920	0.8
132.08089	4.6
134.05986	46.2
134.99638	1.1
135.09183	1.1
136.06122	1.4
136.07527	15.4
136.08394	1.0
140.07095	3.6
144.08092	1.5
146.05992	7.7
147.04440	1.5
149.07094	4.7
150.05484	78.9
152.07047	66.2
152.08301	1.0
154.08617	3.7
157.07617	4.7
158.08377	8.0
159.09155	9.5
161.07065	11.2
162.07886	4.5
163.08630	48.3
164.07034	1.7
168.06607	4.2
169.07652	3.6
171.09290	0.8
172.26083	0.9
179.08134	1.1
180.08035	5.0
181.09677	8.6
188.07042	3.4
189.06590	1.2
206.08347	1.9
207.07622	10.9
220.09912	1.0
221.10643	1.2
225.08647	17.1
232.65773	1.0
247.12247	1.6
248.09387	5.6
249.07845	1.6
249.10185	25.1
252.39035	1.0
261.10181	1.6
263.11746	9.8
267.11237	7.9
275.11722	19.4
278.58475	0.9
279.11243	13.6
280.11926	2.1
281.12790	23.0
292.14465	10.6
293.12790	14.0
310.15469	14.6
326.96176	0.8
354.14426	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	354.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	5.1
55.01817	8.7
57.03373	8.5
61.02856	8.7
67.46748	0.6
68.99702	2.6
69.03352	43.5
69.06984	1.0
70.06519	1.0
71.04911	6.3
71.08539	0.7
73.02824	8.8
81.03342	20.9
81.06999	0.8
84.08036	0.7
85.02830	100.0
87.00755	50.8
87.01193	0.5
91.03864	1.4
92.10872	2.0
95.04893	1.0
97.02221	1.1
97.02825	30.3
97.03451	1.1
99.04388	13.3
100.83292	0.7
103.03853	1.0
105.01813	46.9
108.04439	1.1
109.02831	25.6
111.61693	0.7
114.09124	0.7
115.03944	0.9
117.01786	3.1
121.69916	0.5
127.03878	56.3
129.01790	3.3
145.04939	17.4
147.02887	1.0
147.04362	0.7
159.02859	10.5
174.93663	0.7
183.38286	0.7
189.03902	1.1
195.03024	0.7
213.03938	1.0
231.04930	11.1
249.05975	5.4
286.93436	0.7
377.06125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66379	1.0
53.03876	1.1
55.01800	2.8
55.35411	1.1
56.96497	2.7
57.03361	3.1
61.02848	25.0
64.33276	1.3
69.03340	6.4
69.07018	1.2
74.00569	11.2
79.05408	48.6
81.03342	2.4
83.06036	1.5
84.04408	14.9
85.02812	11.9
85.03941	1.6
86.09618	5.9
91.05399	2.6
93.06975	39.5
97.02827	3.0
97.06460	24.3
99.63242	1.5
104.03384	2.2
110.07108	15.1
111.08028	1.7
112.03918	1.9
116.98584	2.2
117.62656	1.3
120.08078	5.0
120.48721	1.4
121.06445	8.6
122.00919	2.9
127.03870	2.4
130.04980	8.9
134.72121	1.2
139.07513	100.0
141.23680	1.4
142.27888	1.4
157.08565	31.1
157.13403	2.1
160.05945	1.8
170.09248	6.9
175.09633	17.6
177.03299	5.9
177.20534	1.4
184.97397	1.6
185.40855	1.4
195.33197	1.5
225.03508	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27376	1.1
54.43066	1.3
55.05438	10.1
57.07015	1.9
67.05432	11.5
69.06980	9.1
71.08547	23.1
72.04427	24.4
72.44155	1.2
79.05402	9.1
80.75562	1.2
81.06979	14.0
83.08535	5.7
84.44776	1.2
84.89713	1.4
85.02839	2.8
85.06413	1.4
91.05412	2.3
93.06987	13.4
95.04897	1.8
95.08536	15.2
97.06433	1.7
97.10077	2.0
99.08011	8.4
105.06963	1.7
107.08531	7.0
109.06464	2.0
109.10098	6.5
114.09118	1.6
119.08511	2.8
121.10088	2.8
123.07953	1.7
128.10681	1.8
135.11555	1.6
142.12279	2.0
145.10147	1.7
148.99199	1.3
149.13200	2.0
163.14758	1.5
165.12698	7.8
182.15332	1.7
187.54411	1.5
193.15857	2.0
207.53462	1.6
238.21606	12.4
256.17160	1.4
267.42889	1.5
291.23145	8.9
296.54630	1.5
309.24161	2.6
336.28903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	2.8
53.03876	2.7
55.01804	2.1
55.05453	66.5
57.07012	40.2
67.05427	60.6
69.06990	100.0
71.08560	24.3
72.04429	2.3
72.08069	3.2
79.05401	14.2
81.06509	3.7
81.06973	82.8
83.04905	2.3
83.08540	66.2
83.54833	1.9
85.06485	2.1
85.10074	7.9
86.05996	2.4
91.05391	16.8
91.48671	2.3
93.06948	25.2
95.07963	3.5
95.08541	84.3
97.06450	12.2
97.10102	39.5
100.07558	3.9
105.06979	12.0
107.08520	10.6
109.10109	34.7
111.08022	3.6
111.11694	16.3
119.08521	14.2
120.16089	2.3
121.10060	11.7
123.11617	13.0
133.10115	12.7
135.11684	8.4
137.09636	3.5
137.13237	4.4
147.11650	9.4
158.76530	2.2
161.13235	4.6
163.14755	3.2
165.12796	2.2
175.14720	3.2
182.00687	2.3
189.16360	3.0
203.93835	2.3
228.19588	2.5
281.60324	2.4
301.28897	5.0
319.30118	24.1
336.32544	12.5
354.33658	5.4
354.40833	4.0
355.32193	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	354.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01800	0.7
55.05434	0.7
57.07012	10.5
69.06989	1.5
71.04919	0.9
71.08546	5.2
72.28877	0.6
74.05988	3.7
88.07553	11.1
88.11176	1.4
97.10094	0.7
100.59771	0.7
102.09123	6.7
116.10692	1.6
117.29677	0.9
158.15358	0.9
165.58600	0.7
284.29437	32.3
354.37231	100.0
355.37619	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	355.2265
Annotation	Guayulin B
Peak:m/z	Relative Intensity
51.28841	0.5
52.25637	0.6
52.73787	0.5
54.81829	0.7
57.07010	12.4
69.03342	0.7
79.05409	2.5
81.06962	1.0
91.05397	8.7
92.10233	1.4
93.06958	1.6
103.05388	0.8
105.06981	5.6
107.04939	0.9
107.08569	3.4
109.10150	1.2
117.06976	1.5
119.04920	3.5
119.08530	23.3
121.06464	25.8
121.10090	1.4
123.08018	1.4
133.10124	4.4
134.10887	1.5
135.04375	2.9
135.08011	8.5
135.11693	1.3
137.09604	18.3
144.09315	1.3
145.10097	1.2
147.04424	1.4
147.08018	5.5
147.09134	1.2
149.05939	1.4
149.09610	3.0
149.13251	6.3
161.09554	7.3
163.11171	1.2
165.05467	5.7
175.07501	38.2
175.09027	1.3
177.12711	81.3
178.13016	0.9
179.10623	1.2
191.10637	100.0
192.10966	2.7
206.13812	0.7
234.28470	0.7
235.34494	0.7
240.41063	0.7
285.75168	0.7
299.16318	13.5
355.22580	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	355.2475
Annotation	11,12,15-THETA
Peak:m/z	Relative Intensity
55.05443	18.8
55.92430	8.4
59.58427	9.3
67.05426	23.3
69.03352	10.6
69.06987	21.4
71.56400	9.1
76.56943	9.8
79.05421	12.3
81.06995	78.0
83.08533	14.8
92.10282	10.1
93.06952	61.9
95.04858	19.2
95.08536	77.2
97.06447	15.2
105.06951	40.8
107.08527	51.5
109.06458	100.0
109.10099	54.8
111.07994	13.9
119.08521	37.0
121.10078	21.4
123.08010	13.0
127.72839	8.4
133.10045	10.9
135.08046	9.5
147.11636	10.4
149.09557	14.6
242.04958	9.1
319.22528	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2837
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
51.50069	2.5
53.03881	2.5
55.05453	31.6
57.03365	4.4
57.06999	10.2
67.05430	85.9
69.06995	26.4
72.08525	2.4
79.05413	27.1
81.06510	4.0
81.06977	100.0
83.08546	24.4
87.10619	2.2
91.05426	18.1
93.06979	25.2
95.04850	2.4
95.08537	78.5
97.06461	3.9
97.10127	5.6
103.96677	2.5
104.96611	2.9
105.06944	5.6
105.90685	2.2
107.08524	14.5
109.10099	29.6
117.02792	2.6
119.08531	12.0
121.10065	17.4
123.11661	14.7
133.10121	11.2
135.11661	4.6
147.11674	6.0
161.13268	9.4
163.14832	4.3
175.14645	3.1
244.56496	2.5
245.22627	18.6
263.23633	23.4
337.27249	16.8
348.69534	2.5
355.28146	78.4
356.34991	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	355.2838
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
52.42817	2.3
55.05444	29.1
56.12563	2.1
57.03376	2.7
57.07010	6.2
57.18304	1.9
67.05425	81.3
69.06995	25.5
71.08526	2.6
79.05415	24.6
81.06972	100.0
83.08547	19.0
83.52657	2.3
91.05402	20.2
92.10252	3.2
93.06971	34.7
95.08533	86.3
97.06482	2.9
97.10090	11.2
99.08041	3.8
105.06981	15.8
107.08550	16.3
109.10105	30.9
111.08002	3.3
119.08508	5.5
121.10109	15.5
123.11652	17.1
133.10077	12.5
135.11671	6.6
137.13245	3.2
147.11624	4.7
149.13200	3.0
161.13220	4.5
163.14862	4.8
175.14818	3.0
204.86899	2.7
245.22617	22.4
263.23590	25.6
273.16138	3.0
337.27188	20.4
355.28119	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	5.5
55.05448	38.2
56.55646	4.5
57.03355	21.5
57.06784	4.2
57.07012	58.1
57.35564	4.5
62.29945	5.0
65.16356	4.6
67.05437	55.6
69.06984	51.2
69.07289	4.2
71.04893	4.6
71.08547	65.5
79.05402	7.9
81.06977	80.2
83.08526	24.8
85.10088	29.4
88.07554	7.3
91.05394	7.3
93.06973	10.2
95.08533	100.0
97.10041	7.4
105.06969	5.2
107.08544	8.9
109.10093	25.8
121.98882	5.2
123.11636	5.9
133.10060	6.5
155.14276	10.3
162.56847	4.9
181.08972	5.1
245.22595	6.4
251.98993	6.9
355.28278	63.9
355.33371	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	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12113	5.9
55.05437	35.0
57.06994	9.2
62.34602	5.8
67.05418	87.1
68.60429	6.2
69.06982	27.4
73.02822	6.2
74.45103	6.6
75.06468	5.9
79.05409	32.6
81.06976	100.0
85.92561	5.7
91.05404	9.6
92.64023	7.2
93.06954	29.5
95.08524	84.3
96.81316	6.5
105.06923	8.3
107.08510	13.9
109.10101	28.2
114.37315	8.0
119.08505	11.9
121.10103	12.7
134.99600	7.6
139.82867	7.6
155.48341	7.3
233.78914	7.2
245.22615	9.4
263.23547	10.2
355.33585	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	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24145	2.1
52.45294	2.2
53.03879	2.9
55.05454	34.2
57.03360	5.3
57.06994	12.3
64.32520	2.7
67.05428	88.3
69.06988	29.0
79.05404	30.8
81.06980	100.0
83.08526	16.8
91.05396	22.6
93.06976	34.7
93.53151	2.5
95.08543	76.3
95.32893	2.5
97.06490	4.1
97.10094	12.9
105.06944	13.8
105.90108	2.4
107.08515	12.8
109.10103	36.2
116.68290	2.3
119.08508	12.0
121.10109	13.7
123.11678	5.0
133.10089	12.3
135.11632	5.3
137.13219	4.1
147.11668	3.0
149.13243	5.8
161.13176	4.3
163.14749	4.5
175.14754	4.4
245.22646	19.8
263.23639	23.9
337.27319	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	355.2838
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05452	24.2
57.03375	6.9
57.07007	9.4
63.46115	1.7
65.03861	2.4
66.76321	1.7
67.05429	88.4
69.06983	25.9
71.08521	2.6
74.21214	1.7
79.05404	27.2
81.06974	100.0
83.08553	19.6
91.05399	21.0
93.06975	30.5
95.08532	78.6
97.06467	6.8
97.10112	13.8
99.08118	2.1
104.43613	1.8
105.06989	15.1
106.56145	2.4
107.08538	18.8
109.10099	34.3
111.07999	2.7
119.08546	9.6
121.10102	21.6
123.11679	14.0
133.10118	11.5
135.11661	10.5
137.13243	4.4
147.11667	9.2
149.13258	8.8
151.14841	2.5
161.13226	8.5
163.14806	3.3
165.16309	2.2
175.14833	2.5
189.16422	2.8
204.26964	2.0
245.22531	17.1
263.23688	25.1
337.27328	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	355.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33158	1.9
53.03897	2.3
55.05454	29.3
55.73281	2.1
57.03379	4.8
57.07009	12.5
58.23127	2.0
58.90546	2.1
59.65290	1.7
65.75290	2.0
67.05424	100.0
69.06978	30.0
71.04894	2.4
71.08562	2.5
78.50291	2.1
79.05408	30.1
81.06972	96.0
83.08538	18.6
85.06411	2.0
91.05380	21.3
92.10237	6.7
93.06965	28.8
95.08527	77.6
97.06465	8.8
97.10112	9.6
105.06964	15.0
107.08527	15.2
109.10088	27.1
116.98581	2.6
117.39239	2.2
119.08504	10.8
121.10089	15.8
123.11662	12.5
127.11033	2.4
133.10103	13.1
135.11641	2.7
137.13223	3.7
147.11621	3.7
149.13203	4.3
161.13214	5.1
163.14761	2.3
167.38156	2.9
172.95177	3.4
175.14807	4.4
199.02811	2.6
245.22598	14.6
263.23679	16.3
277.17871	2.7
298.95065	2.7
337.27246	12.5
355.28113	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	355.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	28.3
57.03379	2.2
57.07011	12.6
57.54861	1.4
67.05425	86.6
68.67818	1.6
69.06987	29.3
69.80177	1.5
71.08543	3.2
74.09106	1.8
79.05401	24.4
81.06974	100.0
83.08522	16.7
85.06477	2.5
85.10097	2.1
87.97653	1.8
91.05389	18.1
92.10201	3.3
92.72595	1.8
93.06965	24.8
95.07955	3.5
95.08528	72.3
97.06441	3.6
97.10102	9.2
99.08030	1.9
102.64988	1.7
104.90751	1.6
105.06948	14.8
107.08544	16.3
109.10098	28.0
111.08039	3.2
119.08523	10.1
121.10106	15.3
123.11659	15.3
133.10097	10.7
135.11633	6.7
137.13179	3.7
147.11674	9.4
149.13257	3.3
161.13203	3.9
163.14780	8.3
165.16429	3.3
175.14807	2.8
186.50830	1.7
208.69136	1.8
245.22557	20.3
262.66998	2.0
263.23679	23.0
273.03540	1.8
337.27298	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	355.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54156	7.5
53.47041	7.3
55.05451	88.2
55.94541	6.8
57.06999	58.7
62.01166	6.9
64.32924	8.6
66.17937	7.9
67.05431	71.6
69.06996	83.9
70.07277	14.5
71.08556	42.6
72.18964	8.8
72.19392	7.1
79.05363	11.0
79.76326	8.5
81.06969	93.4
83.08529	45.5
85.15947	8.0
86.05978	14.0
91.05423	13.5
93.06958	11.9
95.08541	100.0
97.10099	37.3
105.06969	13.5
107.08504	12.2
109.10088	18.2
111.11605	12.1
123.11577	9.3
202.87967	10.2
210.89804	9.9
219.09427	10.2
287.16245	11.6
310.27374	10.1
355.28149	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01822	4.1
55.05450	24.4
56.96490	4.0
57.03391	3.6
58.01754	3.5
58.99527	4.0
67.05429	20.2
67.07650	3.2
69.03359	5.4
69.06985	14.9
69.25343	3.1
70.06521	5.4
71.04916	3.5
72.08070	4.3
72.55573	3.1
79.05419	7.8
81.06978	32.1
83.04921	8.2
85.02868	3.9
85.06454	5.9
86.99009	4.6
91.05417	8.4
93.06995	18.6
95.04890	30.5
95.08532	18.8
97.06472	5.9
98.09604	3.7
99.04425	5.4
100.11193	23.2
105.06992	15.5
107.08533	8.4
109.06504	16.6
109.10109	8.5
111.04391	19.8
111.08044	6.5
114.09109	25.8
119.08511	7.5
121.10125	5.7
123.04404	15.3
123.11650	4.9
124.05187	15.8
125.09654	4.6
126.03690	5.7
127.02113	4.5
131.08559	4.0
133.10088	8.4
135.11641	5.7
137.09563	3.7
138.33836	4.0
139.03894	21.0
144.04733	7.2
147.04485	4.7
151.03876	42.7
152.05283	77.4
155.01634	20.1
157.47383	3.3
167.01604	15.3
170.06328	7.7
180.02335	4.7
182.15448	8.5
189.08928	4.9
191.06996	30.3
193.03265	4.5
198.05836	46.6
199.18063	4.0
200.07407	3.7
216.06866	100.0
217.08575	24.6
220.24664	3.7
221.06200	5.8
249.05768	15.4
267.06854	8.1
271.15704	4.3
287.03836	5.2
355.06873	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	356.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05171	0.4
53.03874	1.0
54.62716	0.4
55.01809	2.2
55.05439	2.6
57.03365	0.5
58.62929	0.4
58.99511	5.3
65.03851	3.0
67.00057	0.4
67.05077	0.7
67.05428	18.5
69.03331	2.5
69.06969	1.0
70.06487	2.0
70.55273	0.4
74.00578	1.8
76.02129	3.7
79.05409	3.9
81.03320	2.0
81.06955	1.1
82.06475	0.9
83.04909	4.0
84.08043	1.2
85.01044	0.9
85.02820	2.1
85.06430	0.5
86.00564	2.1
86.98986	4.0
88.03918	0.7
90.47988	0.5
91.05410	3.5
92.10876	1.0
93.03330	2.4
93.06985	0.8
94.04095	0.7
94.06512	3.8
95.04355	0.7
95.04902	14.4
96.08067	2.2
97.01025	2.4
97.06434	0.6
99.02599	6.3
103.05385	0.7
105.00066	4.3
105.00665	0.7
105.06959	1.0
106.06497	0.5
107.04882	1.1
109.01100	0.9
109.02834	0.8
109.06448	1.8
110.06045	0.8
111.02699	3.3
111.03652	1.0
111.04385	20.2
112.02171	0.5
112.03384	0.9
112.11211	0.7
114.65681	0.5
118.06479	6.2
119.04815	0.6
119.07309	3.5
119.08530	0.6
122.02676	5.7
123.04383	17.9
124.05169	17.8
124.07510	1.0
125.00528	2.8
125.04188	2.1
125.05935	2.2
126.03709	11.8
127.02090	11.0
128.06155	1.9
129.06963	3.9
129.67128	0.5
131.08575	0.6
132.01132	1.0
135.02597	1.1
135.08047	0.9
137.05957	4.1
138.60892	0.5
139.03886	24.7
141.05414	2.0
144.04752	9.3
145.06432	0.7
145.10123	0.6
146.07208	0.6
147.04378	2.3
147.08032	0.6
148.05193	0.9
149.05876	0.6
151.03882	47.3
152.05270	82.6
153.05550	0.7
154.06796	0.7
155.01598	16.7
157.06476	1.1
157.83997	0.4
158.07195	0.7
159.08057	0.5
159.55745	0.5
160.05154	0.6
161.05933	2.6
161.09566	2.0
163.07516	2.0
165.05380	0.6
167.01585	21.0
170.06294	7.7
170.07965	1.0
171.07997	0.6
172.04181	1.2
174.02182	2.3
174.06720	4.6
175.07480	2.8
176.04648	1.0
177.05396	0.9
179.07031	0.8
180.02376	3.2
183.04407	0.5
184.05072	1.0
184.55247	0.5
185.05887	0.7
187.07465	1.0
188.08273	2.7
189.09038	4.6
190.06329	0.6
191.07005	38.5
192.07367	0.9
193.03053	3.5
198.05811	46.8
199.07639	0.7
200.02982	0.7
200.07372	2.1
202.06198	2.1
207.04689	4.8
207.06491	1.4
215.07036	0.9
216.06853	100.0
217.08588	36.1
218.08450	1.2
221.06273	7.2
231.04822	1.1
234.08803	5.7
235.09601	5.8
249.05780	12.2
267.06787	14.7
356.11511	3.6
356.27731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89785	1.3
53.00232	2.5
55.16435	1.3
56.96482	1.7
57.03376	19.7
59.14275	1.0
66.08652	1.2
67.52219	1.1
68.76524	1.1
71.01260	1.4
71.04907	81.2
73.02824	6.0
75.04379	1.7
84.04427	3.2
85.02828	17.6
89.05952	19.8
92.64498	1.2
95.01258	14.1
97.02850	1.4
98.97503	1.8
101.42580	1.3
102.60094	1.4
106.37091	1.6
113.02317	2.9
116.98522	1.8
121.97729	1.2
131.03384	2.0
134.99612	6.5
141.01808	20.1
145.08574	100.0
152.07085	2.9
163.09616	39.0
177.58833	1.5
184.52357	1.3
185.74475	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46125	0.5
53.03898	0.8
53.54203	0.5
55.01799	1.2
55.05450	3.2
56.04959	0.5
56.96497	2.7
57.03377	12.6
57.07006	3.7
57.26537	0.6
61.02856	3.9
67.05421	4.1
69.03346	9.4
69.06995	1.4
70.06514	8.0
70.47515	0.7
71.04911	5.8
72.08067	1.6
73.02821	1.5
73.06503	0.6
81.03324	4.0
81.06955	0.9
83.04873	1.3
84.04444	2.9
84.08078	1.4
85.02340	1.3
85.02831	31.6
85.06469	3.4
85.10107	5.2
86.09624	3.3
93.06964	1.0
95.08537	55.2
97.01839	0.6
97.02819	9.6
98.97505	1.4
99.04372	1.2
99.08035	1.1
106.02872	3.2
109.02823	4.0
110.07130	0.8
113.09597	28.1
116.98550	0.6
117.03300	0.8
123.08041	1.3
124.03916	5.2
127.03867	3.6
130.09775	2.4
130.15895	2.8
131.10649	100.0
134.99615	0.9
137.09695	0.6
141.01778	1.1
141.09048	1.1
145.02795	1.2
145.04936	1.1
158.10297	0.7
159.10262	0.9
177.05426	1.5
177.11209	11.3
187.66795	0.7
206.07082	0.8
268.08133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00901	0.6
53.03888	1.5
55.01803	0.9
55.05439	3.7
56.04977	0.9
57.03374	15.1
57.07009	3.2
59.04903	0.7
61.02841	4.0
67.05433	6.2
69.03352	9.3
69.06981	2.7
70.06509	6.3
71.04896	4.1
72.08064	1.7
73.02827	1.4
79.05396	1.0
81.03324	4.4
81.06985	1.0
83.04881	1.7
84.04445	2.9
84.08066	1.1
85.02339	1.4
85.02832	34.8
85.06448	4.2
85.10107	11.3
87.04377	0.7
91.03870	1.3
91.05435	0.8
93.06962	1.1
95.04868	1.4
95.08537	100.0
97.02824	7.9
97.06445	1.0
98.97522	0.7
105.03344	16.7
106.03657	9.7
109.02837	1.3
110.07105	0.7
113.09598	91.4
114.09117	0.8
115.03905	0.8
116.98577	0.9
123.08028	13.9
126.87303	0.7
127.03865	3.1
130.06540	0.8
131.10654	86.8
134.03680	0.7
136.07567	1.0
141.09084	7.0
145.05014	2.8
152.67824	0.7
177.11201	24.9
179.06985	1.1
180.07294	1.1
191.60794	0.8
356.17688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64066	1.0
55.01805	6.4
55.05446	9.9
55.90293	1.0
56.96492	5.7
57.07008	6.5
67.05437	12.1
69.03337	2.4
69.06986	24.3
71.04901	2.3
79.05419	9.6
81.06982	22.4
83.04900	1.7
83.08541	13.5
85.06468	1.2
86.09633	2.3
91.05422	5.4
92.10342	2.3
93.06968	17.6
95.04897	4.8
95.08533	16.5
97.02837	14.3
97.06481	2.9
97.10104	1.6
98.97502	1.5
100.97667	1.1
104.10685	6.3
105.06973	7.9
107.08536	56.7
109.06445	7.4
109.10103	28.4
111.04383	14.8
111.08013	6.6
116.98546	6.1
117.06973	4.7
119.08527	5.5
121.06461	6.0
121.10091	7.5
123.04375	5.8
123.11655	6.5
125.05982	1.7
125.09605	12.8
131.08498	2.1
133.10115	2.8
134.99664	8.4
135.08014	40.3
135.11697	1.7
137.09596	20.3
137.13237	1.7
138.52927	12.8
143.08504	1.2
145.10132	6.2
147.07961	1.5
147.11603	1.2
147.53468	1.7
149.13237	6.2
153.09082	50.1
157.53673	2.2
158.01326	1.4
159.08063	5.2
159.11511	1.3
161.09570	1.6
163.07538	5.0
163.11160	2.6
173.09579	2.5
177.09094	1.6
179.10526	1.5
184.07300	2.3
188.08865	5.0
191.10686	9.4
191.12157	1.2
198.96645	1.5
199.09654	6.6
209.11772	1.8
211.02242	1.2
218.16325	1.3
228.97757	1.6
233.15533	1.4
254.42673	1.3
303.23267	9.8
310.95844	1.8
321.24194	100.0
322.24176	1.3
330.77243	1.3
356.25781	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	356.352
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
51.21167	0.4
53.27366	0.4
55.05454	17.5
57.07002	3.3
58.06526	0.8
67.05425	0.8
69.06989	12.9
70.06137	0.9
70.06509	22.0
71.08543	0.7
83.08544	5.8
84.09038	0.5
88.07552	21.6
90.42826	0.4
97.10118	2.0
102.09109	6.0
106.08618	11.6
109.10094	0.7
114.14304	0.5
154.26964	0.5
161.04367	0.5
203.12225	0.6
224.96034	0.5
312.32590	0.6
338.34113	9.7
356.35159	100.0
357.35446	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01823	32.2
55.02030	4.0
65.91738	3.8
67.05463	4.0
67.21595	3.2
79.05376	9.8
81.06949	9.3
82.01221	3.8
87.49537	3.7
91.05394	8.6
94.04095	5.8
95.04896	6.9
103.05395	5.7
105.06990	7.3
106.15943	4.0
108.16569	4.2
108.43095	3.8
109.06477	16.3
111.04330	7.0
114.37496	4.3
114.90116	4.2
115.05421	6.2
118.76139	3.6
122.03578	8.4
123.07924	5.0
137.05952	100.0
155.04855	5.9
161.05933	19.4
165.05447	32.5
165.06807	5.0
177.05429	7.3
179.08553	10.1
189.06931	16.3
190.07664	22.3
191.08484	22.0
202.07773	5.9
205.06259	7.2
207.08043	16.7
218.07268	37.4
219.07979	63.8
220.08554	5.0
221.05856	5.0
222.06651	4.8
229.06384	8.8
234.06696	8.9
235.07469	27.0
236.08217	9.5
246.06679	24.3
247.07468	47.5
249.09099	9.4
251.06963	6.1
251.10651	4.0
261.09113	32.9
263.06961	25.6
264.07660	24.3
265.08560	8.5
270.75153	4.6
274.06107	22.3
275.06955	24.1
276.07767	5.3
277.08569	24.0
278.09329	6.8
279.10031	8.7
289.08624	34.7
292.07202	6.0
292.57510	4.1
294.08594	5.7
305.07922	4.2
306.08853	8.0
307.09598	62.0
309.11053	9.1
320.84106	4.2
321.11139	47.4
327.12231	8.0
339.12268	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00258	1.2
55.01804	2.4
55.05443	6.9
57.03369	1.7
62.06019	1.8
67.05430	13.2
69.03349	2.2
69.06985	25.0
71.04895	1.9
71.08529	1.2
74.70020	1.1
78.44248	1.1
79.05392	9.8
81.06973	56.1
85.06471	2.5
91.05399	3.1
93.06979	9.8
95.04892	75.4
95.08529	14.3
97.06438	1.8
97.10123	1.5
98.97495	2.1
105.06975	5.7
107.08544	8.7
109.06467	100.0
109.10085	9.4
111.08017	2.9
111.96600	1.6
116.98547	1.9
118.62566	1.5
119.08524	5.0
121.06474	10.3
121.10089	10.0
123.11652	30.4
125.09563	2.0
127.07515	21.6
128.93611	1.2
133.10080	5.4
135.11618	2.0
137.09584	2.8
137.13255	1.5
139.11092	1.7
143.11937	1.3
145.10098	1.3
147.11661	2.3
149.13277	2.3
151.11136	2.3
159.11627	2.0
165.09085	5.3
175.11107	1.6
177.16388	1.6
189.16464	3.1
207.17401	9.0
225.18437	7.5
244.08794	1.3
247.16913	1.7
257.86746	1.3
265.17810	1.6
284.11121	1.3
303.23074	6.7
321.24115	10.2
322.89682	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	357.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82081	0.5
55.01814	1.2
55.05444	3.8
56.96505	2.1
57.03386	0.6
57.07023	2.2
59.04926	1.3
65.03873	2.4
67.05430	11.6
69.03345	2.5
69.06987	6.5
70.06512	4.1
71.04910	0.7
79.05407	4.1
81.06981	12.4
83.04927	2.0
83.08506	2.0
84.04427	0.7
84.08084	0.6
85.02847	1.0
85.06469	8.1
86.09649	0.9
87.04375	0.7
91.05409	4.2
93.06970	10.0
95.04898	100.0
95.08533	8.6
97.02832	0.8
97.06483	2.1
97.10076	0.7
98.97533	2.5
99.04417	0.7
99.08016	0.6
103.33943	0.5
105.06974	5.8
107.08541	7.5
108.42770	0.5
109.06471	7.1
109.10117	6.3
111.08015	2.0
112.08460	0.5
114.18053	0.6
116.98569	3.3
119.08538	3.4
120.08060	0.5
121.06464	0.7
121.10090	4.7
123.11691	2.4
123.32228	0.5
125.09613	0.7
129.06873	0.7
131.08499	1.0
133.06404	0.5
133.10072	3.9
134.99655	4.2
135.08046	1.0
135.11636	1.3
139.11183	1.1
143.08513	0.6
143.10626	0.5
145.02780	0.8
145.10110	2.8
147.11655	2.4
149.09573	0.6
149.13245	1.1
151.03903	0.7
151.11198	0.8
157.10124	1.1
157.12184	1.2
159.11685	0.7
161.13214	1.2
163.11128	1.1
166.92180	0.5
167.07132	0.6
169.10023	0.6
177.05487	0.8
201.16257	1.0
217.13808	0.6
222.63177	0.6
225.16614	0.5
256.96466	0.7
274.97403	0.7
292.98566	2.7
303.23187	2.7
321.24191	1.0
357.22363	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00247	2.6
53.03874	1.8
55.05452	79.2
56.05777	3.9
57.03363	8.6
57.07013	29.4
58.06520	1.6
67.05432	51.9
68.93657	1.4
69.06989	97.7
70.06512	22.6
70.07309	3.3
71.06882	1.6
71.08549	14.5
79.05415	30.9
81.06974	58.5
83.08539	50.4
84.08891	1.5
85.06478	1.9
85.10089	6.3
88.07551	26.0
89.07848	2.1
91.05399	6.1
93.06973	37.5
95.08528	50.8
97.06461	11.4
97.10107	28.8
99.08030	1.8
102.09083	3.8
106.08601	13.3
107.08506	19.8
109.10114	20.9
111.08008	3.0
111.11665	3.3
121.10101	40.2
123.11626	3.3
125.09615	2.3
126.05434	1.6
129.71791	1.8
135.11671	26.1
137.13264	2.2
139.11154	1.6
149.13235	8.9
151.14873	1.6
163.14806	2.2
216.93353	1.8
247.21909	2.2
247.24126	17.2
265.25153	24.3
273.69342	1.6
338.34131	2.2
339.28900	26.5
339.34506	8.5
356.35080	32.2
357.35477	100.0
358.36035	1.8
363.20493	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	357.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82867	1.4
53.03899	1.9
53.62169	1.5
54.82285	1.8
55.05186	3.2
55.05453	87.9
56.05795	2.5
57.03368	12.5
57.07013	34.5
60.09328	1.5
60.31790	1.7
65.03868	2.2
67.05429	76.5
69.06989	100.0
70.06506	8.1
71.08549	11.0
72.67055	1.8
75.04385	3.1
79.05412	40.4
81.06506	3.2
81.06978	79.0
83.04897	2.4
83.08541	68.3
85.06464	2.1
85.10122	2.9
86.42355	1.8
88.07548	15.8
91.05386	4.3
93.06976	50.7
95.04900	2.3
95.08531	73.1
97.06454	15.0
97.10110	31.8
99.08007	2.5
106.08646	2.7
107.08534	30.5
109.10108	32.3
111.08018	3.0
111.11669	7.9
121.10102	49.9
123.11670	4.5
124.94989	2.2
125.09634	2.5
135.11665	37.9
139.11069	2.4
149.13217	14.5
151.14865	2.7
159.47624	2.0
163.14656	2.6
247.24182	26.0
265.25235	31.4
331.39633	2.0
339.28870	29.6
339.34171	3.6
350.79272	1.9
356.35193	15.9
357.35550	45.3
359.63840	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	3.4
55.05452	87.2
56.96490	5.4
57.03365	13.3
57.06819	2.3
57.07010	36.3
60.10195	2.6
64.33347	3.0
67.05424	57.6
69.06649	4.4
69.06992	100.0
71.04887	3.2
71.08539	18.2
79.05408	46.1
81.06978	77.3
83.08530	57.6
85.10122	7.7
91.05406	3.7
93.06967	54.1
95.08533	66.8
95.35918	4.0
97.06477	18.1
97.10091	28.2
98.97505	20.7
107.08534	30.1
109.10083	24.7
111.08010	7.7
111.11675	4.8
111.81238	3.7
113.42323	3.5
116.98554	20.5
118.75643	3.3
121.10088	52.1
123.11624	4.7
132.93848	3.5
134.99583	30.0
135.11688	32.4
142.90834	3.3
146.24678	3.4
148.40887	3.4
149.13249	17.2
153.00662	4.6
153.52963	3.4
208.18617	3.8
247.24182	30.4
265.25189	39.1
272.57645	3.7
292.94943	4.6
310.95782	5.1
317.20776	28.4
322.38983	3.4
339.28915	40.8
346.27481	3.6
357.19867	4.0
357.25839	16.4
357.29941	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	357.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	2.5
55.05454	92.8
56.00103	2.3
57.03371	14.5
57.06811	2.4
57.07021	39.1
57.87909	2.6
58.79658	2.3
67.05431	96.7
68.94077	2.7
69.06989	100.0
70.06499	5.6
71.08553	18.2
79.05412	48.1
81.06979	95.5
83.04936	2.8
83.08538	74.6
88.07524	4.1
93.06976	53.0
95.08538	85.5
97.06458	14.6
97.10099	35.1
106.08613	2.9
107.08534	35.6
109.10101	32.5
111.08044	5.3
111.11658	5.4
121.10113	66.7
123.11652	7.3
135.11641	35.3
149.13260	15.3
150.33376	3.1
163.14825	3.9
201.54002	3.1
247.24190	32.0
265.25189	55.9
339.29001	43.9
357.35040	3.1
358.36942	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	357.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	94.6
57.03363	6.6
57.07018	47.7
59.44226	3.9
61.82405	3.1
67.05425	83.6
69.06987	100.0
70.06490	4.5
71.08533	25.8
72.08054	25.5
75.04348	3.6
76.56084	4.3
79.05407	46.8
81.06974	99.8
83.08544	57.0
87.27203	4.0
88.07524	6.2
93.06979	60.2
95.08536	71.0
97.06454	8.3
97.10088	36.8
107.08523	32.4
109.10094	32.3
115.60895	4.3
121.10106	51.8
123.11681	5.0
135.11671	38.1
137.05267	3.9
137.13107	6.0
138.93279	3.6
149.13194	15.8
165.16125	4.2
247.24115	23.9
265.25214	39.7
339.28867	34.4
342.33115	4.1
358.36694	34.8
376.96619	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	357.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63324	2.7
52.25310	2.5
54.28101	2.8
55.05452	89.1
56.22017	2.8
57.03362	16.8
57.07013	41.8
66.03241	3.0
67.05428	93.3
69.06647	5.5
69.06988	100.0
71.08534	23.0
78.99092	3.5
79.05408	43.4
81.06519	3.3
81.06971	78.5
83.08545	55.5
85.10117	5.3
88.35718	2.9
93.06969	54.5
95.08536	76.0
97.06438	16.0
97.10126	35.1
98.97488	6.7
107.08542	31.5
109.10105	27.7
111.11652	3.5
116.98540	15.9
121.10092	55.2
123.11648	5.8
123.15598	4.2
134.43126	3.2
134.99628	4.3
135.11641	35.3
139.11160	3.2
147.82941	3.3
149.13248	12.9
162.27995	3.3
163.14810	4.0
188.94727	3.3
247.24252	28.3
265.25241	62.8
336.97638	3.3
339.28867	41.9
373.75864	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	358.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12370	0.1
53.03887	0.1
53.99535	0.1
56.48870	0.1
56.96485	0.2
59.65701	0.1
69.03335	0.2
70.06508	1.1
79.05403	1.1
84.04405	0.3
85.02819	0.3
85.72497	0.2
86.09637	0.2
91.05409	0.6
91.52581	0.2
93.06975	1.4
95.04902	0.3
97.02840	0.2
103.05406	7.4
107.04903	1.9
109.02888	0.2
110.07058	0.2
120.08058	100.0
121.08397	1.5
127.04997	0.3
130.04999	0.2
131.04875	2.4
149.05978	1.3
166.08601	20.1
167.08896	0.3
188.45607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81467	0.2
58.06532	10.6
68.33469	0.2
70.00183	0.2
70.06506	3.0
72.08066	0.4
73.39146	0.2
73.65257	0.2
74.09605	0.3
76.84617	0.2
84.04421	0.3
84.08057	6.0
88.32955	0.2
98.09618	1.1
100.11241	0.2
118.08603	3.8
126.09064	0.2
128.07018	0.2
128.10674	3.6
129.81691	0.2
138.07622	0.4
144.10181	1.1
147.08119	0.4
149.78177	0.2
156.04201	0.3
168.10175	0.8
187.60980	0.3
196.09651	5.7
199.05928	0.2
213.15997	0.2
229.15421	0.4
241.15421	100.0
242.15834	1.9
358.19580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44749	2.9
54.82310	3.3
55.05444	17.5
57.03358	3.5
57.07006	3.9
62.06013	100.0
67.05419	26.0
68.61937	2.8
69.03322	3.1
69.06979	20.5
70.49213	2.5
71.08542	6.5
79.05397	15.7
81.06970	54.4
82.07314	4.0
83.08526	13.6
85.06477	5.5
91.05400	11.7
93.06966	22.6
95.04893	32.0
95.08533	32.1
96.05197	5.0
97.06439	4.1
105.06963	12.7
107.08528	12.5
109.06441	31.2
109.10112	6.2
110.06780	3.6
111.08050	3.6
116.98550	4.6
119.08508	5.4
121.10089	5.2
123.11669	7.5
125.07108	2.8
127.07529	4.5
129.06256	3.1
133.10083	4.7
145.10123	3.5
147.11647	5.2
168.15117	3.2
194.84360	2.8
305.24591	3.4
322.27374	40.0
340.28333	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	358.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35767	1.6
53.00253	1.5
55.05453	18.1
56.96499	2.5
57.03348	2.3
57.07002	11.2
57.47706	1.8
63.44765	1.6
67.05431	22.0
69.03349	2.7
69.06985	46.7
71.04904	3.9
71.08561	3.1
79.05414	9.7
81.06968	35.4
83.08541	25.1
84.97267	1.8
85.06474	3.5
87.23763	1.8
91.05389	4.4
93.06971	30.6
95.04877	13.8
95.08536	56.0
97.06506	2.8
97.10112	4.5
98.97520	15.4
102.54059	2.1
105.06977	9.6
107.08532	32.2
109.06458	9.8
109.10103	30.1
111.08041	10.1
116.98565	21.0
119.08533	12.8
121.10103	28.1
123.11633	11.1
133.10115	10.3
134.99631	20.6
135.11638	7.8
137.09586	53.6
145.10144	3.3
147.11638	8.2
149.13246	15.4
153.00735	6.7
159.11720	2.1
161.09610	9.8
165.09058	18.2
167.14333	4.4
175.11201	10.2
175.14743	2.5
179.10609	3.6
193.12228	12.5
209.19054	2.5
213.16272	2.6
269.22549	3.5
274.97385	4.7
287.23666	4.5
292.98450	7.7
305.24789	19.2
323.25729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81701	0.5
54.98170	0.4
55.91067	0.4
57.06768	0.7
57.07014	12.8
57.68182	0.4
58.06524	1.0
68.04960	0.5
70.06136	0.7
70.06516	19.5
71.08543	5.7
85.10110	1.2
88.07557	22.3
102.09115	6.1
106.08609	9.8
107.02713	0.5
114.94032	0.5
135.91087	0.5
148.31358	0.5
167.18987	0.6
230.77136	0.6
314.34085	0.8
340.35718	9.3
358.27173	30.2
358.36731	100.0
359.27423	3.0
359.37146	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	359.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01816	4.0
55.05450	8.6
56.96492	18.2
59.84110	3.2
63.30217	3.4
65.03880	3.7
66.20676	3.2
67.05427	7.4
69.03353	9.0
69.06996	19.0
70.06506	6.1
72.08051	5.1
72.16475	3.2
74.94695	3.4
78.57237	3.7
79.05408	6.7
81.06982	24.4
84.04433	6.4
84.08082	5.6
85.02828	25.5
85.06498	4.3
86.09625	27.2
91.05397	9.0
93.06992	27.9
95.04871	17.3
95.08545	21.8
97.02821	5.8
100.11268	4.7
103.05419	3.9
105.07001	8.4
107.08526	14.2
109.06430	4.9
109.10137	5.3
116.98579	16.4
119.08521	7.7
127.03892	4.8
131.23389	3.9
133.10114	17.2
134.99611	8.9
137.05984	5.5
147.11641	5.2
153.05428	5.2
167.06888	4.5
209.70377	3.7
313.09634	37.0
315.14273	7.0
359.13034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1337
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
51.56815	0.7
53.03883	1.3
54.81673	1.0
55.01802	4.6
55.05446	1.7
56.96493	2.0
57.03388	1.2
61.02839	3.8
61.26117	0.8
67.05437	1.4
69.03347	7.2
69.06994	1.1
70.06509	10.3
71.04896	1.4
72.08064	6.4
73.02827	22.4
76.82573	0.8
78.03376	2.1
81.03349	2.1
81.41724	0.9
83.04869	1.2
83.06020	1.5
84.04388	6.3
84.08064	3.8
85.02824	20.6
86.09608	8.2
89.29553	0.8
89.99940	0.9
91.03870	0.9
91.05408	4.9
92.72681	0.9
95.04875	1.8
96.04426	1.4
97.02848	6.7
98.09628	1.2
98.97506	1.1
101.07092	1.0
102.05508	1.3
106.02854	7.0
107.03214	1.1
109.02825	3.6
110.03640	2.0
110.07098	1.9
111.04382	4.0
113.05952	0.9
116.07042	1.4
116.98549	3.3
124.03894	13.8
125.04321	1.5
125.05946	16.8
127.03904	5.2
129.10124	1.0
134.99631	1.3
137.05911	1.0
141.05473	2.0
145.02890	1.0
145.04939	3.5
147.04294	1.5
149.05960	1.8
151.03883	100.0
151.04921	5.2
151.07538	3.9
160.46545	0.8
176.58292	0.9
179.07001	18.1
182.12888	1.2
197.08061	36.2
198.08385	1.4
216.12366	1.9
274.94705	0.9
359.12805	1.3
380.34494	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.00243	0.5
53.03885	1.0
55.01815	0.9
55.05450	1.1
56.88040	0.5
56.90119	0.5
56.94831	0.4
56.96493	2.4
57.03368	2.5
59.04936	1.2
59.64590	0.5
61.02862	2.0
65.03864	0.7
67.05407	1.0
69.03352	7.0
69.06996	1.3
70.06506	6.1
71.04893	0.9
72.08070	1.3
73.02834	0.8
75.52737	0.5
76.55951	0.5
79.05412	3.1
80.64426	0.5
81.03331	2.5
81.06977	3.4
84.04440	1.1
84.08067	0.8
85.02828	18.8
86.09624	8.6
87.35868	0.7
91.05396	9.2
93.06978	17.6
95.04894	4.9
95.08521	2.7
96.08889	0.5
97.02821	4.4
98.97545	1.0
99.04412	0.7
103.05421	0.7
105.03365	1.4
105.06973	13.9
107.08537	42.4
109.02851	1.1
109.06478	3.1
109.10094	4.2
116.98534	0.9
118.38418	0.6
119.04889	2.3
119.08514	4.4
120.08046	1.2
121.06454	4.6
123.04362	2.0
123.08025	0.9
123.11672	2.3
127.03885	3.1
130.05054	0.7
130.06573	0.6
131.00099	0.7
131.08530	1.4
131.10625	0.9
133.10097	43.4
134.05994	2.5
135.08031	0.7
135.10635	1.4
135.11658	36.7
137.05902	2.0
137.09604	3.7
145.04915	0.7
145.06567	0.7
151.11162	4.8
161.09578	22.3
162.05469	2.3
179.10631	61.1
197.11696	100.0
198.12070	1.0
359.10464	0.7
359.16678	1.0
359.23767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03889	2.1
55.05452	3.1
56.96500	4.7
61.15118	2.5
67.05417	5.0
69.03351	12.0
69.06988	4.1
70.06503	11.4
71.04885	3.6
72.08064	5.0
73.02829	3.5
73.79124	3.4
79.05413	4.0
81.03343	3.1
81.06976	10.6
83.59528	2.3
84.04448	3.5
84.08058	5.3
85.02824	24.2
86.09641	22.6
87.04399	2.5
91.05402	16.5
93.06985	19.0
95.04870	9.1
95.08530	3.0
97.02820	11.5
98.97512	2.9
99.04356	3.2
100.11186	4.4
105.06969	16.9
107.07858	4.4
107.08540	80.1
109.06484	4.2
109.10114	6.0
111.04412	2.7
116.98584	4.3
119.08525	12.9
119.67348	2.6
121.10120	11.3
124.03938	4.8
127.10466	2.8
133.10089	49.8
134.99634	5.2
135.11690	3.7
139.07494	4.3
141.66292	2.7
145.04985	10.0
151.11163	11.6
161.09636	10.2
167.10640	15.6
179.10616	23.9
197.11694	100.0
217.51231	2.6
237.39238	3.2
308.29391	2.5
359.76218	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	359.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	1.2
55.01798	3.8
55.05453	11.3
57.03366	1.2
57.07003	7.1
59.04918	0.8
65.03866	1.5
67.05431	21.7
67.53969	0.7
69.03343	5.4
69.06989	41.2
70.29810	0.7
71.04893	1.7
79.05405	13.9
81.06973	68.9
83.04909	6.4
83.05340	0.8
83.08528	5.2
85.02837	2.9
85.06470	6.6
91.05410	7.5
92.10892	1.1
93.06976	31.6
95.04895	100.0
95.08530	43.9
97.06470	9.5
97.10081	1.8
99.08016	1.8
100.05350	0.8
101.62183	0.9
105.06979	14.8
105.80450	0.9
107.07881	0.9
107.08542	20.6
108.08872	0.9
109.06464	33.4
109.10100	21.5
111.08064	7.2
111.11684	1.5
119.08546	9.6
121.06432	1.3
121.10098	24.0
123.08000	3.4
123.11665	41.3
123.57735	0.8
125.09583	4.0
127.07496	4.8
131.08524	1.3
133.10080	8.2
135.11673	9.8
137.09592	2.0
137.13248	10.3
139.11147	7.6
139.65320	0.8
141.09132	0.8
141.12704	5.4
145.04884	1.0
145.10080	6.8
147.11632	7.2
149.09596	4.9
149.13199	6.1
151.11136	1.3
155.10571	1.3
155.73958	0.8
157.10091	1.1
159.11598	4.4
161.13246	3.6
163.11148	3.6
165.12718	3.8
167.10619	5.1
171.11629	1.6
173.13165	3.2
175.14783	1.6
177.16347	0.9
183.13759	5.5
213.16379	1.3
269.22513	1.4
280.88654	1.1
287.23526	7.2
305.24710	11.1
323.25742	13.2
341.26721	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	359.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12713	2.1
55.05441	21.1
57.03374	2.4
57.07010	4.2
58.57401	2.1
59.04935	3.4
60.48353	2.0
65.03895	3.8
65.97852	2.7
67.05422	39.9
69.03344	5.3
69.06991	35.6
71.04906	4.4
76.56453	2.3
79.05399	15.3
81.06970	99.1
83.04900	13.6
83.08532	11.4
85.06470	28.3
91.05390	14.3
93.06973	45.6
95.04893	100.0
95.08533	64.1
97.06471	9.5
105.07010	18.3
107.08530	34.6
107.24738	2.9
109.06494	18.9
109.10090	39.3
109.91776	2.2
111.08022	15.5
119.08533	14.2
121.10099	24.4
123.08012	5.8
123.11671	24.2
125.09554	4.0
127.07504	9.5
131.08583	2.6
133.10074	5.8
135.11638	15.3
137.13275	5.2
137.23994	2.8
145.10080	3.8
147.11642	11.2
149.13235	5.4
153.12654	3.4
159.11694	4.1
161.13275	5.3
181.12224	3.1
189.16333	4.1
268.08246	3.1
287.23553	3.1
305.24728	17.6
323.25546	23.5
349.13364	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	359.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	5.1
55.05448	10.1
57.03376	7.9
57.07016	100.0
62.62754	4.1
64.42778	4.1
67.05430	12.6
69.03355	7.8
69.06988	9.9
71.08541	58.4
81.06969	36.1
81.61403	4.7
83.08541	20.7
85.02820	23.9
85.10088	20.6
95.08527	36.0
97.02830	7.0
97.10111	9.9
98.41537	5.1
107.04615	5.4
109.10131	18.9
127.03890	19.9
133.10156	4.8
145.04895	7.5
147.51891	5.7
183.63741	5.4
185.82166	5.1
193.95604	6.0
211.47121	5.0
232.34834	5.5
237.24106	4.8
341.30396	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	4.4
55.05454	28.7
67.05415	17.6
67.65408	3.2
69.06987	21.4
72.07714	6.2
72.08073	100.0
79.05386	3.9
81.06987	31.3
83.08535	7.9
85.02805	5.5
85.06480	4.1
93.06970	7.6
95.08515	27.9
98.06004	6.0
107.08556	6.2
109.10093	18.8
111.08015	20.9
114.69976	4.4
123.11686	4.8
127.03814	4.5
135.07977	4.0
135.11682	3.9
206.60741	3.9
241.12665	4.9
290.27728	4.1
306.28003	6.9
324.28989	67.6
341.31534	48.9
359.32678	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	1.1
54.81216	1.0
55.01811	12.7
57.03372	12.1
58.03677	0.7
61.02853	7.2
61.79362	0.7
69.03352	44.7
71.04897	3.2
73.02831	9.0
81.03343	6.1
81.83593	0.8
85.02827	100.0
87.04391	1.2
91.03891	1.3
97.02232	1.3
97.02826	35.0
97.24472	1.0
99.04390	8.7
101.02316	8.7
109.02833	7.9
115.03874	5.2
127.03877	65.6
140.47743	0.9
145.03854	1.6
145.04941	38.2
163.05968	10.5
180.08635	1.1
189.05743	0.9
239.78368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1916
Annotation	CHEMBL1807682
Peak:m/z	Relative Intensity
53.03890	0.7
54.81514	1.0
55.01797	1.6
55.05441	1.4
56.96500	3.7
57.03368	1.7
61.02862	1.8
65.92300	0.8
67.05397	0.9
68.70950	0.7
69.03348	11.6
70.06511	100.0
72.08066	11.4
73.02810	1.6
79.05404	1.3
81.03345	3.6
84.04437	3.1
84.08064	1.7
85.02831	30.7
86.09644	6.6
88.03899	0.8
91.05410	1.2
93.06970	1.7
95.04893	1.0
97.02824	8.9
98.05973	2.0
98.97475	1.2
99.04393	1.4
101.02364	1.0
103.05404	1.3
105.03339	4.9
105.06964	1.5
107.04920	1.2
107.08539	4.3
109.02813	2.1
110.07073	0.9
116.07034	11.9
116.98560	2.0
119.08542	1.3
120.08060	24.9
127.03860	15.4
133.10118	1.3
134.10419	1.4
134.99582	0.9
135.11688	1.0
139.37032	0.8
145.02763	1.2
145.04877	9.9
147.04396	1.1
163.06030	1.7
177.05408	1.2
179.10551	1.7
180.10957	0.9
181.04884	1.1
186.99295	0.9
197.11671	5.7
198.12022	1.4
213.12337	13.8
217.13330	7.8
237.02759	1.2
238.02954	1.0
245.12816	6.1
263.13794	1.7
315.14175	6.3
341.35919	0.9
360.18939	4.6
361.14694	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	360.2378
Annotation	Loxtidine
Peak:m/z	Relative Intensity
53.03876	1.0
55.01791	2.4
55.05452	12.4
56.96488	2.0
57.03377	8.4
67.05432	8.2
68.54298	0.9
69.03349	9.0
69.06979	10.8
70.06503	1.9
71.04905	18.9
72.08057	4.5
73.02810	1.2
73.67251	1.0
75.87090	0.9
75.99909	1.0
79.05402	19.6
81.03304	2.4
81.06968	18.8
83.04893	1.8
83.08527	4.8
84.08063	1.6
85.02830	22.2
85.06427	1.4
85.91663	1.0
86.09624	100.0
91.05398	17.7
93.06969	39.2
95.04863	4.8
95.08524	12.7
97.02808	6.1
97.06513	2.9
98.97519	1.2
99.04387	1.6
100.11183	19.8
105.06361	1.5
105.06990	28.6
106.45266	1.2
107.08539	9.1
109.06431	2.6
109.10077	2.3
111.04396	1.4
116.98557	2.1
117.06957	1.6
119.08517	15.5
121.10083	2.1
123.08067	9.9
125.05950	1.4
127.03855	8.6
131.08504	1.6
132.10179	28.5
133.06456	1.9
133.10092	25.4
134.99594	1.5
137.13374	1.2
145.04919	7.7
145.09975	1.2
147.11667	35.1
149.13190	1.6
151.11143	9.1
163.05959	1.5
165.12675	9.5
167.10541	1.3
175.11145	6.9
181.04921	4.6
182.15396	6.6
192.13817	1.2
193.12201	7.1
208.16887	1.9
209.16415	1.4
210.14835	5.2
254.17409	5.6
260.20065	6.3
278.21051	7.0
281.68881	1.1
306.20615	14.3
324.21478	9.6
342.22708	10.5
360.13339	1.9
360.25516	15.5
360.75537	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	360.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00232	1.1
55.01802	2.0
55.05446	1.5
55.16502	0.7
57.03364	1.8
57.07013	24.4
58.06523	5.5
61.02845	1.0
62.98991	1.7
65.56114	0.7
67.05422	3.5
68.99706	1.4
69.03357	10.1
69.06979	3.4
71.08552	12.9
73.02815	1.1
74.20583	0.8
75.02620	0.8
77.00523	4.1
81.06993	6.0
83.08539	3.3
85.02834	18.0
85.10117	7.1
87.02624	1.3
93.06942	0.8
95.08525	9.5
97.02825	5.6
97.10102	0.9
99.04393	1.4
101.02309	1.1
105.03677	67.8
109.02814	0.9
109.10088	4.6
115.03856	1.0
119.01594	0.8
122.06333	15.7
127.03883	13.4
129.01808	14.8
145.04947	7.4
146.21501	0.9
185.08061	3.2
195.35040	0.8
207.48083	0.8
296.29422	100.0
297.29776	4.0
342.30801	1.2
360.29300	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	360.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05464	0.4
57.07010	7.6
59.55865	0.3
60.95925	0.4
64.81845	0.3
67.05434	0.4
69.06977	0.5
71.08559	3.9
79.05405	4.5
81.06991	0.6
85.10121	1.6
88.07551	0.4
88.15826	0.3
95.04887	0.8
95.08534	1.9
101.33253	0.3
103.05408	3.2
105.06976	100.0
106.07322	0.5
114.21802	0.3
122.09612	14.4
144.43410	0.4
218.11942	0.4
256.26273	0.5
260.59686	0.4
359.37033	2.4
360.32541	24.1
360.37119	1.7
361.32898	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	361.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06880	2.1
54.28924	2.0
54.60366	1.9
55.05458	4.3
56.96495	9.8
57.03381	2.7
59.85480	2.1
61.02841	2.5
66.82933	2.1
67.05431	2.9
69.03343	15.9
69.30928	1.9
70.06136	3.7
70.06508	79.0
70.38564	2.1
71.06844	10.2
72.08057	13.6
73.36477	2.3
79.05428	2.5
81.03334	3.9
81.06944	4.8
84.04428	11.7
84.08054	8.9
84.79407	2.4
85.02819	25.2
85.87112	2.2
86.09618	10.0
91.05405	5.5
93.06924	2.8
93.50157	2.3
95.04874	3.1
95.08451	2.5
97.02805	4.2
98.97508	3.1
105.03336	3.2
105.06971	10.2
107.08507	4.9
110.07103	9.5
116.07050	5.7
116.98546	5.5
119.01660	2.9
119.08525	3.0
120.08067	23.0
120.08788	2.6
121.10132	2.4
123.08047	2.9
124.03877	2.3
124.37285	2.6
125.93522	2.4
127.03867	5.7
129.10188	2.4
130.08514	2.1
133.09996	2.7
135.11678	2.6
137.05981	2.5
145.04868	2.8
151.03886	2.8
169.96724	2.3
181.04959	4.4
197.11717	3.2
203.05228	8.9
213.12381	3.4
213.97775	2.7
299.14621	4.4
315.14053	63.9
349.05765	3.2
361.10385	4.8
361.14594	100.0
361.18875	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	361.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33860	0.9
69.03338	0.9
70.06503	1.0
72.08067	2.2
72.19956	0.8
74.05992	3.7
84.04405	1.8
85.02817	2.4
85.44250	0.9
86.03181	1.3
86.09618	7.3
98.58299	1.1
107.48180	1.0
118.06487	8.3
130.06488	100.0
131.06845	1.8
132.08043	2.3
140.04732	2.5
143.07303	2.1
144.08081	6.9
145.07529	1.2
146.05995	30.0
154.06526	2.2
156.06790	2.2
157.07584	56.8
158.08104	1.7
159.09222	2.3
169.07573	13.9
170.05971	3.6
188.07030	29.5
192.03394	1.0
203.08070	2.2
205.09758	6.9
215.08090	5.1
217.09102	1.1
218.23581	1.0
243.09007	9.7
244.09831	6.3
245.10616	5.2
254.09634	11.8
255.09016	3.8
256.09882	46.9
257.10629	23.0
258.11191	2.3
259.12183	1.9
267.09113	6.7
268.10016	1.7
269.10663	72.3
270.11337	21.9
271.12228	39.4
272.08746	1.4
272.11691	1.6
277.39978	1.2
279.06421	2.3
280.09921	18.4
281.10684	47.5
282.11465	59.6
283.12256	16.8
284.11740	5.4
285.10220	4.4
298.13202	7.0
299.11710	2.1
309.10126	9.2
315.36642	1.1
326.12946	1.2
327.11197	28.6
344.10019	1.6
344.13907	29.3
361.16925	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	361.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	0.4
55.40163	0.3
57.07012	8.3
68.99706	21.2
71.08538	0.4
75.43546	0.3
87.00772	4.3
105.03655	2.7
105.59856	0.4
111.00758	6.4
129.01793	100.0
130.02139	0.9
139.00229	8.1
150.97139	0.4
152.72072	0.4
157.01283	5.6
185.08046	21.6
224.54753	0.5
228.51881	0.4
251.06281	0.4
256.94815	0.4
259.15375	2.0
296.29422	2.3
297.29761	0.9
310.87128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57861	0.2
54.81956	0.4
54.82474	0.3
57.06739	0.4
57.07012	9.8
68.99712	18.4
71.18478	0.3
85.02823	0.6
87.00753	3.7
111.00745	5.4
129.01802	100.0
130.02165	0.4
139.00250	7.6
153.47331	0.3
154.70369	0.3
157.01306	6.2
185.08064	24.5
196.45248	0.3
259.15298	3.1
267.03757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09356	2.2
50.41069	2.2
55.01794	3.9
55.05448	38.8
57.07013	10.2
63.87881	3.0
67.05432	23.4
69.06970	29.7
71.04899	6.0
79.05408	19.5
81.06969	100.0
83.04896	12.3
84.48766	3.6
85.06443	4.2
91.05388	13.6
92.20191	2.5
93.06968	61.8
95.04906	4.3
95.08541	42.2
97.06458	4.1
99.08070	3.2
105.06971	23.3
107.08530	31.0
109.10104	19.6
119.08527	23.9
121.10081	20.2
123.11665	23.6
133.10068	13.6
135.11633	15.7
137.13237	5.5
139.11205	3.5
145.10110	3.9
147.11681	10.9
149.13255	11.7
159.11639	18.0
171.87650	2.7
173.13206	3.6
215.17886	6.8
233.18925	4.4
251.19997	5.6
271.24033	3.4
278.98453	3.0
289.24789	3.1
307.26053	4.6
376.16238	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	362.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.8
55.05451	16.6
57.03376	2.2
57.07013	15.0
61.34056	0.7
65.03848	1.3
66.57439	0.9
67.05430	54.8
69.06990	40.8
71.08544	10.7
79.05413	4.8
81.06976	86.9
83.08540	20.8
85.10110	5.7
91.05407	4.2
91.15079	0.9
93.06970	8.9
95.04877	1.2
95.08531	100.0
95.70416	0.9
97.10107	11.6
99.06323	0.8
105.06991	3.9
107.08546	4.4
109.10104	46.6
111.11683	6.0
119.08515	4.8
121.10098	8.3
123.11656	19.4
125.13214	2.0
133.10081	7.8
135.11676	6.1
137.09584	2.2
137.13260	7.3
147.11691	4.4
149.02336	1.7
149.93163	0.8
150.02438	1.1
151.11160	4.1
151.14815	3.9
155.14267	1.0
161.13252	4.5
164.02075	9.7
164.52200	1.9
169.01294	12.3
169.51378	1.4
170.01329	1.9
175.14798	0.9
182.02229	1.1
187.14465	1.0
191.02562	7.1
191.52721	3.3
192.02521	1.4
199.02315	1.1
207.21030	7.2
217.19493	12.7
229.17899	1.4
235.20572	10.7
253.21588	4.1
265.03418	1.8
327.25244	70.2
330.73270	0.9
352.53879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14127	0.6
55.05447	7.6
63.08464	0.6
67.05423	1.1
68.40643	0.6
69.06985	1.1
70.06498	4.1
71.07321	0.6
71.08537	5.9
72.08069	100.0
73.08399	1.0
81.06963	4.5
91.57973	0.8
92.79821	0.6
93.06961	3.0
94.13173	0.6
95.04861	0.8
95.08524	3.2
97.06430	0.7
98.05987	13.7
99.08026	1.3
107.08517	1.3
109.06464	2.8
109.52030	0.7
140.10680	1.0
144.74174	0.7
161.88040	0.6
165.12721	4.4
168.13803	0.8
185.74858	0.8
263.93869	0.7
264.23209	6.8
291.23090	2.6
334.86850	0.6
362.30453	38.7
363.30893	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81915	0.6
57.06772	0.7
57.07010	13.0
70.06507	28.5
71.08548	4.9
72.08052	0.6
84.08061	3.7
85.10140	0.7
86.09634	0.7
88.07548	26.6
97.10004	0.6
102.09087	4.3
114.09119	15.0
118.08579	1.7
127.96302	0.7
130.08522	0.6
132.10158	43.5
162.11180	1.2
176.12793	5.9
194.13799	8.8
202.61130	0.8
204.58652	0.7
242.24648	1.1
247.47981	0.7
256.26227	8.4
274.27295	6.9
318.29935	4.0
362.32550	100.0
363.24985	1.1
363.32886	1.2
365.52759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24012	0.6
57.06743	0.7
57.07013	14.8
58.06524	4.5
61.43902	0.7
67.05428	0.6
68.04940	1.1
70.06510	38.5
71.08541	5.6
72.08068	5.1
76.55685	0.7
82.69495	0.6
84.08064	3.8
85.10069	0.8
86.09646	7.0
88.07559	13.3
89.05973	1.0
90.85753	0.7
92.10903	1.0
102.09113	6.5
109.18340	0.6
114.09134	1.3
132.10175	14.4
146.11740	14.4
212.23738	3.9
223.28410	0.6
238.25322	1.0
256.26276	26.1
300.28903	63.2
318.90018	0.7
344.31393	0.9
362.32565	100.0
363.32883	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	363.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81291	1.9
56.04969	2.2
56.96496	4.9
57.03360	1.7
58.06513	2.5
60.05306	2.8
60.05581	43.5
69.00506	2.0
69.00831	12.5
69.03344	3.7
70.06504	9.8
71.04901	9.6
83.06005	2.4
83.10831	1.8
84.04414	8.2
84.08087	7.3
85.02834	9.4
86.03475	100.0
86.09641	12.5
88.03922	3.5
95.04881	2.6
97.02785	2.3
98.97542	2.3
102.05520	2.1
111.05510	10.9
113.07089	8.3
116.98553	2.9
120.04427	2.7
120.23347	2.3
132.08096	2.4
134.99614	3.7
137.05959	13.5
138.06358	3.3
141.06586	8.7
148.03905	9.5
150.05470	10.3
161.01163	4.9
172.95140	2.0
176.07079	3.3
177.00789	2.5
200.17168	2.2
201.12267	3.7
205.96120	2.1
207.01791	3.0
232.10747	7.8
237.02689	2.4
260.10303	3.7
276.85464	2.0
278.11304	67.3
299.56015	2.1
304.09167	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19929	1.3
53.22713	1.4
54.81603	2.1
56.66499	1.4
67.05412	2.4
71.04944	2.1
81.06959	3.2
93.06964	3.3
102.51722	1.7
105.97823	1.8
117.06875	1.7
119.80783	1.9
257.33148	2.1
276.33472	1.8
363.24982	100.0
364.25110	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	363.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83406	0.8
55.58598	0.7
56.96490	1.4
63.93560	0.8
76.31684	0.8
81.06953	1.2
86.05990	1.1
94.39180	1.0
98.97536	1.1
112.30898	0.9
129.62144	1.0
133.10194	0.9
233.20013	0.9
362.32535	1.7
363.21579	3.6
363.24985	100.0
364.25241	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	363.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27895	1.6
53.61797	1.4
55.05441	3.4
57.06741	3.8
57.07013	84.6
63.48462	1.5
69.06988	2.4
71.08549	48.1
79.18070	2.0
85.10101	19.9
89.05955	100.0
105.06852	1.7
107.06998	11.0
133.08534	23.4
142.43343	1.8
151.09668	3.1
160.96658	1.8
177.11189	7.4
195.12196	19.0
274.03702	1.9
363.30856	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	364.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	4.9
57.07004	0.9
66.54753	1.0
67.05422	8.8
69.03350	4.7
69.06986	4.4
79.05413	9.1
81.06984	10.5
86.05994	100.0
86.09641	1.1
87.04392	20.2
91.05425	4.6
93.06969	11.0
95.08541	6.4
104.07053	16.8
105.06976	4.0
107.08574	5.1
109.10099	1.5
114.88322	0.9
118.07478	1.0
121.10104	1.3
123.04373	1.2
131.08539	1.5
167.28293	1.2
251.38615	1.0
261.21936	1.4
272.81372	1.0
299.44507	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.6
55.05434	13.0
56.85608	1.8
57.07011	65.3
65.78943	2.1
67.05414	12.3
69.06980	15.4
71.04890	2.5
71.08537	21.2
74.09627	100.0
75.76039	2.5
79.05396	4.6
81.06966	15.8
89.05950	51.5
93.06952	14.8
94.30704	2.2
95.08543	14.6
97.06440	3.7
99.07983	4.1
107.08525	3.0
109.06464	10.5
109.10104	3.3
121.10104	3.2
123.11658	4.4
133.10103	2.7
151.09641	27.9
156.13832	2.8
165.12653	8.5
173.48703	2.5
258.00485	2.6
266.24716	15.3
291.23123	12.0
364.32025	79.3
365.10144	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	364.3208
Annotation	Terminaline
Peak:m/z	Relative Intensity
54.44892	0.7
54.82019	0.9
55.05452	5.0
57.07007	1.6
67.05417	3.4
69.06989	4.3
71.08548	10.6
72.04429	15.3
72.08060	1.7
74.09630	100.0
79.05407	4.1
81.06973	7.7
83.08543	1.4
85.06397	1.1
89.05949	12.0
91.05389	1.2
93.06972	5.7
95.04894	3.4
95.08550	7.8
95.46928	0.8
95.86875	0.8
99.08038	1.4
100.07538	19.7
103.30176	0.8
103.88039	0.8
104.07362	0.7
105.06982	1.6
107.08519	4.2
109.06465	4.1
109.10083	1.9
119.08584	1.0
121.10101	1.1
132.15002	0.8
135.93510	0.8
137.09537	1.0
142.12260	3.8
145.06007	0.9
151.09645	7.8
156.13849	1.1
165.12759	6.4
174.88020	0.8
182.88474	0.8
266.24744	9.3
291.23114	4.0
364.32019	47.5
365.10550	0.9
365.32233	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	365.1054
Annotation	Sucrose
Peak:m/z	Relative Intensity
52.62642	1.1
54.81684	1.3
55.60198	1.0
65.93024	0.8
66.94184	0.9
72.08092	1.0
73.04048	1.1
74.22849	0.8
152.99866	0.9
185.04182	16.4
203.05247	58.4
295.72427	1.0
359.25464	1.0
365.10495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	8.1
55.05449	30.3
57.03375	13.6
57.12749	6.1
67.05424	28.7
69.06980	5.9
70.48934	6.5
76.55956	5.3
79.05422	27.0
79.90331	6.5
81.03389	7.3
81.06985	49.3
91.05386	65.0
91.73818	7.3
92.10929	25.2
95.04912	12.3
97.10105	9.8
105.06991	26.6
107.04887	7.3
107.08548	12.5
117.06983	14.0
119.08555	50.1
128.06195	8.1
129.07018	8.7
131.08521	11.7
133.10059	7.4
134.12109	6.2
143.08540	9.2
145.10115	25.3
147.08047	23.4
157.30727	6.8
157.87775	7.1
161.09683	7.3
273.18393	50.8
343.61826	7.8
347.22174	12.4
365.26599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2661
Annotation	Sch 575948
Peak:m/z	Relative Intensity
55.01810	3.8
57.06999	2.8
62.42264	2.4
67.05417	5.6
69.06979	3.8
73.18479	2.8
73.93562	2.5
79.05402	3.7
81.03316	3.8
81.06973	10.9
83.19440	2.5
91.05383	3.3
93.06956	3.7
95.04888	5.7
95.08537	3.6
101.55775	2.7
105.06945	4.7
109.06483	6.0
115.60819	2.9
123.04395	4.3
133.06448	3.3
135.08075	2.7
137.05928	15.1
151.07530	5.0
179.06973	15.1
197.08134	21.7
239.31798	3.3
274.21594	2.9
297.62646	3.3
302.29565	3.9
364.33429	13.5
365.10284	5.1
365.22656	5.4
365.26529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2661
Annotation	16,16-dimethyl-PGE1
Peak:m/z	Relative Intensity
59.85855	2.6
92.10219	3.7
95.08556	2.5
115.91192	2.9
117.57067	3.0
180.75499	2.7
204.57870	2.8
291.51987	2.7
301.52728	3.4
304.00583	2.6
331.48877	2.8
365.26599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2684
Annotation	Vitetrifolin F
Peak:m/z	Relative Intensity
55.01813	3.4
55.05439	22.2
56.96497	3.8
57.07014	100.0
62.73000	3.4
67.05428	28.7
69.06993	50.7
79.05389	15.3
81.06965	23.3
83.04904	4.3
83.08522	6.1
85.06461	32.8
91.05408	6.9
93.06970	20.8
95.08523	23.2
97.06459	15.0
105.06945	4.7
107.08590	25.5
109.06465	30.4
109.10105	8.7
119.08520	8.8
121.10108	4.8
123.07973	5.6
133.06332	4.1
135.08041	40.0
135.11636	25.6
151.07549	5.3
153.12735	5.9
161.09615	4.9
166.65807	3.6
172.75414	3.7
177.12767	7.5
217.14275	4.8
261.67578	3.9
263.19998	28.7
347.25693	51.8
365.26648	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	365.2684
Annotation	Salvic acid acetate
Peak:m/z	Relative Intensity
54.81767	0.3
55.01800	0.5
55.05444	2.3
57.06736	0.7
57.07011	19.0
62.92184	0.4
63.57677	0.4
67.05423	2.2
69.06968	2.7
69.39965	0.4
71.08565	0.5
79.05394	2.1
81.06975	2.7
85.06465	7.2
93.06966	2.2
95.08513	3.4
105.06954	1.5
105.53990	0.4
107.08527	2.3
109.06468	20.9
109.10085	0.9
111.08013	0.8
119.08532	0.7
121.10081	0.7
123.07996	4.6
125.05964	0.6
127.67375	0.5
132.47044	0.5
133.10056	0.6
135.08015	1.0
136.25293	0.4
137.05962	2.8
137.09508	0.5
147.11687	0.8
151.07500	12.0
163.92473	0.4
165.09082	2.1
173.07373	0.4
185.03938	0.5
193.12236	0.8
203.05444	0.4
263.19998	100.0
264.20370	0.9
319.26102	0.5
321.41190	0.5
347.25705	4.6
365.10516	1.0
365.26813	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	365.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01806	0.8
55.05447	3.8
57.03374	0.3
57.07005	0.8
67.05420	4.9
69.06647	0.6
69.06985	10.8
71.04877	0.7
71.08546	0.9
79.05403	4.2
80.06194	2.1
81.06964	4.7
83.08519	2.3
85.06467	0.5
91.05385	1.3
93.06987	5.8
95.08514	3.5
97.06445	2.5
105.07005	0.5
107.08550	4.7
108.05725	0.4
109.06450	2.3
109.10106	1.4
111.08022	0.9
119.08530	0.7
121.10045	0.6
123.04399	0.8
123.07994	1.4
133.10103	0.4
135.11632	6.9
136.05174	2.1
137.05975	4.0
137.13239	0.8
145.10083	0.6
146.22026	0.4
151.07494	1.7
153.12726	1.7
163.11075	0.4
165.12671	0.4
167.14261	1.5
179.14268	4.2
193.12209	100.0
194.12543	0.7
195.13785	0.6
203.05270	0.4
205.15878	3.2
217.14310	4.4
221.15320	2.1
231.92917	0.4
235.16843	0.6
236.97649	0.4
319.26254	2.5
347.25726	28.5
348.26208	0.8
365.26657	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
52.48023	0.6
53.00246	0.7
55.01799	0.7
55.05453	8.3
55.97230	0.6
56.91132	0.6
57.07013	5.5
60.61620	0.5
65.10694	0.7
66.30140	0.6
67.05428	6.5
68.57961	0.6
69.07002	10.3
71.08544	1.6
79.05418	5.1
81.06984	10.3
83.04881	1.8
83.08536	3.0
85.06458	1.7
91.05389	4.1
93.06976	7.5
95.04877	0.8
95.08552	9.5
97.06471	3.1
100.31685	0.7
101.91474	0.7
105.06971	3.9
107.08544	7.5
109.06470	6.6
109.10088	1.7
111.04414	9.9
119.08527	2.8
121.10086	3.2
123.08020	9.1
123.11752	0.7
124.08794	0.8
125.05949	6.4
125.09576	0.8
133.10110	1.6
135.08028	5.8
135.11670	3.1
137.05963	4.5
137.09564	0.9
145.10120	1.5
147.11685	1.5
147.20937	0.8
149.09608	1.2
149.13144	0.7
151.07562	6.1
152.08281	6.9
163.11140	1.1
165.09082	26.7
165.12764	1.2
166.09877	1.3
177.09146	0.9
179.10715	2.8
179.14243	1.0
179.21857	0.7
181.12151	1.0
193.12210	1.2
195.13760	1.7
208.14507	1.6
221.15366	3.8
235.16885	1.0
249.18477	2.8
305.24704	8.9
319.26221	8.3
347.25748	69.8
348.26321	1.0
365.26797	100.0
366.27435	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2683
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.01800	0.9
55.05440	5.3
57.07011	9.4
58.74741	0.8
61.72816	0.9
62.96086	0.9
63.28886	0.9
67.05427	7.3
69.06976	8.1
72.06490	1.0
76.02148	1.2
79.05415	2.7
81.06966	7.4
91.05395	2.7
93.06963	6.4
95.08520	6.9
105.06982	1.6
107.08538	4.9
109.06471	5.7
109.10089	1.8
111.04404	2.2
111.07973	1.2
119.08569	1.4
121.10164	1.8
123.08031	11.1
123.14886	1.2
124.08817	1.8
125.05973	1.6
135.08003	4.8
135.11655	2.1
137.05956	1.9
151.07507	7.2
152.08304	9.2
165.09070	19.1
179.10579	4.8
179.14192	1.5
194.13019	5.7
207.13733	1.4
245.48592	1.1
263.19882	2.0
319.26404	5.0
347.25754	42.0
348.09540	1.4
365.13531	6.8
365.26764	100.0
387.03369	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00259	0.4
55.05233	0.3
55.05453	4.8
56.96501	0.6
57.03368	2.0
57.57638	0.4
61.02851	1.1
68.60672	0.5
69.03343	4.0
70.06524	3.9
70.06853	0.5
72.08068	100.0
72.99818	0.5
73.02856	0.8
76.56026	0.5
81.03334	1.9
81.06992	0.6
84.04436	2.8
84.08072	2.4
85.02834	6.7
86.09632	2.1
87.04391	7.8
91.05443	0.5
95.85178	0.4
97.02824	3.0
97.03376	0.5
98.05979	3.4
98.97507	0.8
99.04381	0.6
102.05483	1.0
107.21722	0.5
109.02803	0.6
110.07133	1.1
111.04846	0.5
116.01758	0.5
116.07031	4.7
116.98614	0.9
118.08602	23.9
120.08045	4.8
125.09573	0.5
127.03866	0.7
129.10263	0.8
140.10695	2.8
140.38551	0.5
142.62027	0.5
153.04100	0.5
158.11737	25.1
158.12965	0.9
168.10042	0.5
173.09329	0.5
186.11241	4.5
204.12263	24.7
221.75877	0.5
234.06226	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	366.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03870	0.4
55.05449	3.7
57.20081	0.4
67.05427	12.9
67.69775	0.4
68.04959	0.5
69.03345	4.7
69.06983	5.4
73.18137	0.4
78.14999	0.4
79.05415	3.3
81.06974	12.5
83.08542	0.9
83.74857	0.4
86.05987	100.0
87.04391	19.9
87.06322	0.4
87.81829	0.5
91.05418	1.1
93.06969	2.7
95.08527	8.4
97.10078	0.5
104.07037	15.3
105.06956	1.0
105.99776	0.4
107.08522	0.9
109.10098	2.5
119.08569	0.6
121.10114	0.5
123.11624	0.6
214.90166	0.5
263.23734	0.5
307.26303	2.0
366.29889	2.7
366.33762	2.8
371.45825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01810	2.8
56.96502	3.4
57.03376	3.4
60.04485	3.1
61.02846	2.6
69.03345	9.6
70.06519	7.4
73.02819	2.7
77.00559	2.0
84.04430	2.6
84.08114	2.2
85.02815	23.6
92.10312	2.7
97.02818	11.3
98.97514	2.1
109.02805	2.6
114.38763	1.7
116.98590	2.9
118.06480	19.8
120.08053	11.1
123.78342	1.9
127.03939	2.7
130.06480	7.6
132.08047	7.7
134.99663	2.5
142.06528	2.5
143.07292	4.4
144.08061	26.2
145.07536	2.4
146.05986	88.0
146.64677	1.9
156.08072	11.4
159.09103	3.3
160.07535	4.3
163.01801	2.4
168.08029	3.8
170.06004	7.2
184.07547	2.4
188.07030	100.0
188.26962	1.9
202.08615	2.0
205.09688	20.2
216.69611	1.9
230.08023	32.2
247.10831	3.7
350.12161	8.3
367.11002	3.0
367.15009	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55766	2.5
57.03387	2.8
64.17921	2.4
69.03354	3.5
73.02836	2.5
81.14793	2.6
82.02863	4.2
84.04437	5.8
85.02831	14.4
97.02813	5.3
98.02408	2.7
103.03938	2.7
104.58106	2.5
116.98563	4.8
117.05676	2.8
117.07006	2.7
118.06488	41.0
120.08063	5.6
127.03911	4.3
129.06943	5.4
130.06516	50.8
132.08034	18.5
132.71640	2.5
140.57352	2.5
142.06557	4.0
143.07298	5.3
144.08061	45.1
146.05984	100.0
153.30058	2.5
154.04913	3.6
156.08040	36.4
159.09166	3.1
160.07578	3.9
167.07211	3.6
168.08044	23.9
170.06015	15.3
182.06053	3.1
183.09142	13.5
184.07521	4.5
185.60542	2.4
188.07042	42.3
202.08640	3.9
229.09674	34.8
258.11102	4.3
276.12213	11.0
303.13397	3.8
331.12878	5.2
332.11115	22.9
334.66959	2.8
349.13980	30.1
367.10922	4.1
367.18524	3.3
369.99097	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	0.7
55.05443	6.6
56.04970	0.7
56.96501	2.3
57.03362	1.3
57.07001	3.7
59.09351	0.6
61.02845	2.3
64.33931	0.6
65.03855	0.5
67.05428	29.6
69.03336	3.5
69.06988	9.6
70.06507	18.1
71.04896	4.2
71.08533	0.8
72.08063	3.3
74.42036	0.6
79.05393	2.9
81.03331	0.9
81.06973	38.0
83.08527	4.9
84.04427	4.4
84.08057	2.4
85.02833	9.6
85.06464	49.1
85.10132	1.1
86.09631	1.3
91.05399	8.8
93.06982	2.2
95.04895	0.8
95.08531	100.0
96.08873	1.2
97.02817	1.4
99.08018	5.3
105.06925	0.7
106.02840	0.7
109.02823	0.7
109.10106	43.7
112.08684	2.4
113.09590	4.5
116.98562	1.2
117.05705	3.1
118.06493	8.5
119.04883	3.9
120.08044	0.7
123.11631	2.5
127.03824	0.7
130.06493	90.4
131.06821	4.3
132.04433	2.6
132.08044	2.6
133.04784	1.0
136.07553	10.3
141.12682	0.9
144.08061	2.8
146.05965	7.1
147.04378	3.5
151.14790	14.0
160.07573	4.4
163.03940	0.6
169.15836	26.8
170.05986	4.0
172.07626	0.8
184.07567	0.6
187.06261	6.3
187.16878	13.9
188.07033	9.2
205.17937	7.1
206.08018	5.4
248.09183	0.7
285.10049	0.7
302.95871	0.6
332.11316	0.7
367.19492	1.0
368.16034	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2455
Annotation	15(S)-15-methyl PGF2alpha
Peak:m/z	Relative Intensity
55.05449	1.5
57.07005	1.7
59.70132	1.1
67.05420	1.4
69.06991	2.0
81.06965	4.4
91.05383	1.2
92.10215	4.5
93.07005	2.1
95.08518	2.4
105.06968	1.2
107.08549	1.7
119.08511	1.9
121.10097	1.3
121.17348	1.3
123.08004	1.6
179.14264	2.6
271.24390	1.1
349.27240	5.6
367.24475	100.0
368.24753	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81493	5.0
55.01801	10.4
55.05230	3.8
55.05452	78.4
57.03368	17.0
57.07014	57.1
57.39786	3.8
59.50230	4.1
65.03856	5.2
67.05430	66.3
69.06973	18.7
71.04914	6.6
72.08063	4.3
79.05411	88.4
81.03324	17.0
81.06973	67.8
83.04921	5.8
83.08549	9.2
85.06445	29.2
90.90158	3.6
91.05410	75.9
92.10281	5.0
93.06965	53.0
95.04887	46.2
95.08512	27.0
97.10103	8.2
103.98195	3.7
105.06982	64.4
107.04890	99.3
107.08543	41.4
109.06448	5.3
109.10111	20.4
117.06954	32.6
119.08527	37.3
121.06480	9.5
121.10070	10.0
123.08020	5.2
125.09614	16.2
129.06979	4.2
131.08563	29.7
133.10088	18.7
135.08011	7.3
135.11705	8.2
137.09605	31.2
143.08502	4.4
145.10101	21.4
147.11638	25.1
149.09538	33.7
151.11339	4.3
163.11153	24.7
173.13213	17.0
175.11119	25.0
191.14259	20.6
192.85263	4.6
257.18869	7.7
275.19968	100.0
349.23615	26.4
367.24637	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	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25213	4.7
54.82371	4.9
55.05445	27.0
55.68834	3.8
55.89510	4.4
56.96500	4.9
57.03374	37.9
57.07007	4.9
62.36029	4.5
67.05424	51.0
69.06979	25.1
73.40263	5.3
73.61954	4.6
79.05409	36.0
81.06971	45.7
83.08540	6.8
84.45282	4.7
85.06473	5.8
91.05400	48.2
93.06980	61.7
95.04843	5.1
95.08530	32.0
105.06968	42.7
107.04866	6.2
107.08540	31.2
109.06441	5.7
109.10107	12.1
117.06975	25.9
119.08524	36.3
121.10096	10.9
131.08514	23.1
133.10060	12.1
135.11746	6.1
145.10143	5.7
147.11597	7.1
159.11639	8.4
206.64456	4.9
219.17404	100.0
242.18140	4.8
250.73308	5.5
275.19928	7.1
349.23587	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	367.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97985	2.6
55.34906	2.7
56.50965	2.5
58.15836	2.4
66.48147	2.4
70.87720	3.1
89.83739	2.9
93.91392	3.0
94.49476	2.5
94.69026	2.4
95.08527	3.5
99.59359	2.5
107.02063	2.6
137.57765	2.7
236.51016	2.8
243.21849	2.7
367.28165	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13205	1.0
55.05440	6.9
57.06995	2.0
64.00643	0.9
67.05429	8.4
69.06999	10.7
71.08547	22.3
72.04066	2.1
72.04434	46.4
78.99896	1.2
79.05415	5.7
80.51931	1.1
81.06974	15.4
81.17451	1.1
82.12534	1.1
83.04865	1.2
83.08544	2.5
91.05405	5.9
92.10954	2.7
93.06972	10.5
95.04893	2.8
95.08532	11.5
97.06465	1.5
97.10070	1.3
99.08024	7.5
100.07529	1.3
103.08627	2.1
105.06966	3.0
107.08524	6.7
109.06450	8.3
109.10105	8.6
114.09121	4.7
115.12191	1.3
119.08543	4.9
121.10078	1.5
133.10120	2.2
142.12271	2.4
149.13231	1.3
156.13818	4.9
165.12767	11.7
175.14825	2.1
177.12543	1.5
178.19022	1.3
187.24442	1.2
193.15721	1.2
212.16548	2.0
217.42744	1.2
238.21632	19.3
291.23154	12.8
336.28918	100.0
337.29108	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	367.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62013	0.2
55.05460	0.4
55.96400	0.2
56.04971	1.8
57.07021	2.2
65.02971	0.2
65.71602	0.2
67.05431	1.2
67.33987	0.2
69.06984	1.7
70.06511	0.6
71.08545	1.1
81.06965	0.5
84.08065	100.0
91.05402	0.4
92.10896	0.6
95.08545	0.6
101.10722	1.9
107.43534	0.3
111.09164	1.6
112.07552	1.8
129.10196	69.5
139.81584	0.3
171.88362	0.3
173.90367	0.3
349.31924	1.8
367.33157	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	368.2794
Annotation	(5Z,8Z)-tetradecadienoylcarnitine
Peak:m/z	Relative Intensity
54.81855	1.9
55.05440	7.4
57.07016	2.8
60.04455	100.0
62.30725	1.4
67.05426	29.9
68.67718	1.5
69.06977	8.8
79.05395	10.1
81.06973	24.8
83.08518	1.8
85.64445	1.5
88.03918	25.7
91.05402	15.7
93.06947	9.3
95.08524	21.6
96.60235	1.8
97.35365	1.8
105.06966	2.8
106.04966	71.3
107.08498	2.0
109.10144	2.9
120.20959	1.8
133.10098	2.9
142.03468	1.8
208.96469	1.9
376.05795	1.8
379.56653	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	369.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	17.8
55.20124	6.0
56.96498	15.3
57.03349	11.2
57.07001	14.2
61.89632	7.1
66.80597	7.0
67.05423	9.1
69.03345	15.6
70.06510	62.4
71.04885	8.4
72.08070	13.5
74.56159	7.9
79.05415	6.8
81.03304	9.8
83.04890	53.0
84.04406	17.1
84.08058	57.2
85.02818	33.4
85.06439	9.2
86.09628	17.7
91.05391	43.2
94.21671	7.8
95.04877	11.4
95.08557	11.4
97.02818	12.6
98.97525	7.1
99.13242	6.9
105.03267	8.2
110.07126	12.0
115.52032	8.3
116.98595	14.9
119.04893	46.4
120.08031	10.9
127.24360	7.2
129.10175	8.3
134.99570	9.6
146.99663	10.4
147.04362	46.2
154.22676	7.7
175.03799	54.9
177.00618	9.6
177.05457	10.9
181.05005	8.4
207.06479	57.0
208.96436	15.0
369.11334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01832	0.6
57.03373	8.4
61.02855	0.6
61.66027	0.3
64.33499	0.4
65.03868	0.8
66.37261	0.3
67.01785	0.3
67.05432	0.4
68.99709	0.6
69.03353	3.0
69.07025	0.3
70.06514	0.9
71.01281	7.1
72.08070	0.4
73.02831	10.9
74.73306	0.3
75.04394	0.8
81.06985	1.6
83.01250	0.9
83.04859	0.4
85.02827	19.8
90.27496	0.4
91.05407	100.0
92.05752	0.7
95.01257	5.4
95.08517	0.5
97.02817	4.7
99.00761	0.8
99.04398	1.7
101.02310	2.7
103.03882	0.9
103.92973	0.4
113.02310	6.3
116.98560	0.4
123.00745	0.5
131.03342	3.0
137.05997	2.4
141.01817	6.6
141.16037	0.4
159.02927	1.0
187.05975	0.7
193.08569	9.5
197.04539	0.5
206.05406	0.8
215.05505	0.9
235.09628	1.0
256.96973	0.4
296.87915	0.4
369.11542	3.0
369.22308	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49762	0.1
54.82142	0.2
55.05446	0.6
56.96491	0.2
57.03376	0.1
58.06533	4.9
59.07315	4.8
70.06491	0.3
83.04905	0.7
85.02818	0.2
92.10902	0.1
99.36691	0.1
101.05898	0.2
107.43800	0.1
117.05466	0.1
118.08600	100.0
119.08945	0.3
136.07602	0.2
160.07558	0.2
177.00673	0.1
201.65594	0.1
240.85391	0.1
293.76117	0.1
331.07343	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2618
Annotation	Cortol
Peak:m/z	Relative Intensity
50.32158	1.7
52.79381	1.8
53.00253	1.9
55.01804	3.5
55.05455	25.3
55.11560	1.6
56.96505	3.2
57.03359	5.0
57.07003	5.3
67.05418	34.5
69.06989	17.2
71.08538	32.0
79.05402	30.1
81.03338	4.1
81.06978	33.0
83.04871	8.9
83.08525	9.6
86.09598	4.6
91.05413	22.9
93.06966	32.2
95.04891	9.0
95.08521	21.0
97.06445	4.7
97.10079	2.3
99.08019	20.7
104.10682	2.1
105.06954	20.6
107.04868	2.6
107.08548	17.9
109.06463	9.9
109.10104	5.3
119.08524	14.2
121.06445	4.1
121.10084	4.6
125.00005	3.4
129.06921	3.7
129.99702	2.3
131.08545	2.9
133.10117	3.6
135.07973	3.5
135.11687	4.7
138.52943	4.7
139.11032	2.2
147.11653	4.7
149.13300	2.3
151.11148	14.6
159.11711	2.4
161.13197	8.3
163.11148	3.9
165.12753	12.3
179.14297	8.7
184.07188	3.9
202.58455	2.8
261.22009	3.9
277.21570	23.3
289.21588	4.1
333.24060	9.0
337.20358	2.7
351.25156	30.9
369.26004	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28703	2.0
53.00240	3.3
53.03885	3.5
54.82158	2.3
55.05454	36.0
57.03372	57.5
57.06997	2.6
59.04914	6.2
62.29836	2.2
64.28329	2.5
67.05429	98.4
69.06995	25.4
71.04916	26.3
72.37395	2.3
79.05411	77.5
81.06977	100.0
83.04896	4.2
83.08531	6.6
91.05400	45.0
93.06970	64.1
95.04890	16.5
95.08540	73.0
97.06428	3.8
99.07996	3.0
105.06988	33.4
107.08549	33.7
109.06429	3.3
109.10112	20.1
111.07963	3.6
117.06970	5.5
119.08530	22.7
121.10099	24.0
131.08559	12.4
133.10098	5.8
135.11646	12.2
143.08609	3.2
145.10114	11.8
147.11664	6.1
149.13298	4.7
159.11612	3.4
161.13232	3.4
171.11627	4.6
205.00053	2.7
205.15884	3.3
224.04536	2.9
277.21622	6.6
351.25317	4.4
369.26123	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	369.2618
Annotation	Cortol
Peak:m/z	Relative Intensity
50.32158	1.7
52.79381	1.8
53.00253	1.9
55.01804	3.5
55.05455	25.3
55.11560	1.6
56.96505	3.2
57.03359	5.0
57.07003	5.3
67.05418	34.5
69.06989	17.2
71.08538	32.0
79.05402	30.1
81.03338	4.1
81.06978	33.0
83.04871	8.9
83.08525	9.6
86.09598	4.6
91.05413	22.9
93.06966	32.2
95.04891	9.0
95.08521	21.0
97.06445	4.7
97.10079	2.3
99.08019	20.7
104.10682	2.1
105.06954	20.6
107.04868	2.6
107.08548	17.9
109.06463	9.9
109.10104	5.3
119.08524	14.2
121.06445	4.1
121.10084	4.6
125.00005	3.4
129.06921	3.7
129.99702	2.3
131.08545	2.9
133.10117	3.6
135.07973	3.5
135.11687	4.7
138.52943	4.7
139.11032	2.2
147.11653	4.7
149.13300	2.3
151.11148	14.6
159.11711	2.4
161.13197	8.3
163.11148	3.9
165.12753	12.3
179.14297	8.7
184.07188	3.9
202.58455	2.8
261.22009	3.9
277.21570	23.3
289.21588	4.1
333.24060	9.0
337.20358	2.7
351.25156	30.9
369.26004	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14051	2.0
51.97298	1.5
53.03889	28.9
54.01790	1.5
55.01805	10.4
55.05452	38.7
56.96497	3.8
57.03360	4.2
57.07001	8.7
59.17596	1.8
64.32915	2.0
65.03867	1.9
67.05428	68.4
69.03331	3.2
69.06654	3.1
69.06992	60.4
71.08557	2.2
75.67199	1.9
77.65956	1.8
79.05406	60.5
81.03334	100.0
81.06969	61.1
83.04906	24.2
83.08537	14.2
91.05402	32.4
93.06970	60.1
95.04890	51.6
95.08533	23.9
96.39792	2.0
97.06439	2.5
97.10115	8.1
105.06978	33.8
107.08531	24.8
109.06451	12.6
109.10103	11.0
111.99949	2.2
117.06979	3.4
119.08557	17.4
121.00429	8.5
121.06497	2.4
121.10099	10.0
123.11674	3.9
125.09564	11.8
129.06921	4.1
130.01004	3.3
131.08565	4.7
133.10091	22.4
135.08035	2.3
135.11633	4.6
143.01727	4.8
143.08554	2.2
145.10056	3.6
147.11650	14.3
149.13190	3.5
151.11174	29.8
160.86266	2.2
161.13222	11.9
163.14766	2.3
165.12744	3.6
167.99640	9.6
171.11586	2.9
172.00908	13.8
177.00177	54.7
177.50275	3.0
186.00813	3.8
190.00923	9.0
199.01483	37.2
199.51617	5.1
200.58801	2.2
217.02536	5.1
239.03731	2.7
241.19514	2.6
259.20416	2.8
277.21539	65.7
335.05893	3.5
351.25183	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2632
Annotation	Cortol
Peak:m/z	Relative Intensity
55.05439	19.3
67.05410	32.2
69.06979	33.5
71.08539	26.9
75.28413	13.5
79.05387	16.2
81.06959	27.6
91.05420	19.7
93.07040	19.7
95.08552	21.4
100.05361	13.8
102.47403	14.9
109.06463	34.9
119.08524	21.6
121.06458	20.4
165.12677	73.3
168.46243	16.5
178.80684	21.2
289.21643	36.0
306.55670	16.9
333.24222	23.4
351.25192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00242	6.6
53.03877	3.4
55.01803	8.1
55.05452	42.2
57.03378	11.1
57.07014	14.1
57.56355	1.3
57.57882	1.4
59.00937	1.6
59.04930	1.3
65.03844	1.6
67.05431	81.3
69.06994	30.0
71.04903	5.8
71.08549	65.8
75.04430	1.4
75.55991	1.4
79.04953	3.1
79.05408	81.3
81.03336	13.9
81.06503	3.1
81.06979	89.7
83.04902	38.4
83.08540	12.7
85.06461	6.4
85.44781	1.6
88.69776	1.7
91.04831	1.7
91.05412	59.4
93.06975	100.0
95.04901	21.2
95.08534	54.0
97.06456	17.6
97.10080	2.3
99.08026	28.7
105.06979	28.4
107.04912	11.8
107.08553	45.2
109.06490	3.8
109.10090	19.1
111.04353	3.3
111.08035	1.9
113.09597	2.4
117.06947	3.7
119.08550	26.2
121.06493	1.7
121.10102	33.9
123.08025	2.7
123.11658	2.3
125.09496	1.5
129.06975	2.1
131.08548	6.8
133.10092	18.7
135.11667	34.8
137.09578	6.0
138.75284	1.5
141.09090	3.6
143.08569	2.7
145.10107	6.8
147.11673	9.8
149.13246	7.3
151.11168	23.1
153.05408	1.7
159.11630	2.2
161.13234	14.8
163.11122	8.5
165.12709	2.4
167.10661	1.7
171.11693	1.7
172.95151	2.7
177.12672	2.0
179.14278	80.7
181.04890	2.9
185.13113	1.7
189.12712	2.1
191.10672	3.6
202.05904	1.5
209.11598	11.4
221.15355	1.9
225.21715	1.5
235.16962	3.3
237.11134	12.9
250.97498	1.6
259.20572	3.8
277.21579	44.1
288.62311	1.7
292.98819	1.7
293.17477	9.4
313.11914	6.3
351.21158	2.4
351.25238	53.5
355.12509	1.6
369.26239	2.6
378.79889	1.6
384.84067	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	369.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38675	5.3
55.05437	5.9
56.53321	6.0
57.07011	29.1
63.69253	6.4
64.33611	5.8
67.05447	8.7
71.08545	10.3
88.88776	7.4
95.08525	9.4
103.08654	100.0
193.35501	8.0
368.42413	7.9
369.29871	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03371	10.7
57.07013	100.0
57.26447	0.6
69.03345	1.1
70.06499	3.0
71.01270	1.2
73.02812	3.2
75.04386	1.2
84.04415	1.3
85.02828	8.5
85.06467	48.8
91.77473	0.7
95.01251	6.8
95.08525	0.8
97.02813	1.2
103.07526	13.1
106.74559	0.8
113.02366	1.3
118.82791	0.7
141.01810	9.7
145.02882	1.0
159.10138	60.4
159.11469	2.0
177.11185	22.9
178.05763	1.3
215.05254	0.9
247.53781	0.7
296.24176	0.7
335.13159	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	370.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00262	0.2
55.05442	2.4
57.07006	1.0
63.58691	0.2
63.62360	0.2
64.41302	0.2
65.03861	2.2
67.05419	2.2
69.06987	2.6
71.08569	0.3
79.05387	0.5
81.06979	2.1
83.08530	1.4
91.05403	100.0
92.05753	1.1
93.06962	0.5
95.00731	0.2
95.08540	1.9
97.06499	0.4
97.10114	0.9
105.06929	0.2
106.06493	1.1
107.08529	0.5
108.08067	4.9
109.10118	1.0
117.06944	0.3
119.08557	0.4
135.11668	0.2
145.10138	0.2
160.44807	0.2
167.06532	0.2
190.12349	0.2
204.13927	0.3
218.15489	0.3
246.18448	0.3
253.07768	0.2
290.08096	0.2
365.78537	0.3
370.30908	6.0
370.40585	0.4
374.52689	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	0.4
55.05450	3.8
55.89665	0.3
56.12093	0.3
57.07015	5.8
65.03859	1.4
67.05413	2.7
69.06989	8.7
69.98292	0.3
71.08549	3.2
79.05434	0.4
81.06972	3.5
83.08544	0.7
85.10108	0.8
86.09626	67.0
91.05404	100.0
92.05732	0.5
93.06971	0.5
95.08533	4.1
97.10104	0.3
105.06974	0.5
106.06524	0.6
107.08507	0.7
108.08079	4.6
109.10103	2.1
117.06950	0.6
120.89127	0.3
120.96933	0.3
131.08482	0.4
132.10168	17.5
190.12215	0.5
255.53900	0.3
292.68976	0.4
324.32404	0.7
370.30826	5.3
370.39960	0.4
386.00232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.3311
Annotation	Semiplenamide F
Peak:m/z	Relative Intensity
52.61393	0.4
52.92951	0.4
54.46048	0.4
55.05446	3.3
57.07010	7.7
60.88410	0.5
65.03856	1.1
67.05424	3.9
69.06989	8.7
71.08540	4.0
76.56072	0.7
79.05383	0.8
81.06969	3.8
83.08540	2.2
85.10119	1.0
86.09627	92.9
91.05405	100.0
92.10210	1.2
95.08543	4.8
106.06497	0.8
108.08051	3.1
109.10106	1.2
132.10172	25.7
190.12157	0.7
192.71727	0.6
259.59122	0.6
370.30670	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	371.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	2.4
54.21724	1.5
54.37630	1.5
54.82058	1.7
56.96502	1.7
60.54511	1.6
63.20199	1.8
67.05405	2.2
69.03345	8.2
70.06506	16.3
81.03333	4.6
83.04893	7.5
84.04427	14.2
84.08081	13.3
85.02850	14.2
86.09632	4.7
91.05421	2.6
92.64832	2.4
97.02804	3.0
109.02833	11.3
110.06006	9.8
110.07115	2.2
116.98569	2.7
118.29859	1.6
126.05460	3.3
127.03876	12.0
129.10245	7.7
136.07558	100.0
137.02322	15.0
138.38625	1.9
150.05482	2.0
154.05080	2.1
155.03394	4.6
162.05466	7.6
164.07027	84.2
166.05000	1.9
177.00662	2.0
182.08084	23.0
189.07794	2.4
192.06517	2.3
202.08578	2.2
216.10124	2.2
226.08759	2.8
230.08186	4.6
240.06468	3.8
244.09677	2.9
258.07513	8.5
272.09061	8.8
276.49585	1.9
300.08533	8.1
318.09650	15.9
336.10712	14.0
353.13571	8.8
354.11819	8.2
371.13931	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	371.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96474	1.1
58.74575	1.0
67.05413	1.8
69.06938	1.3
70.06485	5.7
72.07999	1.1
79.05398	2.0
81.06962	1.2
82.06450	1.4
84.04446	1.2
85.02808	1.8
89.95316	1.2
93.06947	1.1
94.06487	1.3
95.04890	2.5
96.04408	1.5
96.08049	2.3
109.35592	1.3
110.05990	12.0
110.07136	1.4
122.05984	2.2
124.03889	1.4
124.07565	2.7
126.05391	2.3
129.05362	1.6
136.07547	100.0
138.05453	16.9
140.07001	2.9
146.05934	1.9
152.07034	22.6
164.07024	74.1
168.06508	6.4
174.05443	2.7
180.06516	28.8
182.08076	19.5
198.07632	13.7
202.08441	1.4
290.10233	1.5
336.10550	1.5
352.92807	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23343	0.4
53.03865	0.5
55.05436	0.6
56.96485	0.7
58.06521	2.0
60.08094	40.9
67.05420	0.7
69.03337	0.7
69.06985	0.8
70.06496	2.2
72.08060	0.6
73.23473	0.5
79.05415	0.9
84.04427	0.8
84.08048	3.2
85.02811	0.7
86.09630	0.8
86.42959	0.5
91.05408	6.4
92.30072	0.5
93.06976	7.8
95.04871	2.3
98.97514	0.8
99.40067	0.5
103.05396	10.2
105.06965	1.8
107.04896	20.6
107.08516	0.5
109.10137	0.5
117.06933	0.5
119.04895	11.8
120.08058	31.4
120.08926	1.1
121.06460	38.1
128.04935	5.5
129.10161	0.7
130.06506	4.4
132.08043	9.1
137.09525	0.5
146.05986	100.0
147.04390	11.7
160.07526	3.4
162.05475	0.9
164.07039	1.1
166.08569	0.8
174.05473	0.7
191.07010	2.7
192.06522	4.6
193.10147	0.5
206.08096	8.0
221.09605	2.9
224.10703	2.1
238.12242	4.0
270.11179	3.4
284.12656	3.9
304.04901	0.6
312.12268	3.3
371.19592	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	371.1965
Annotation	Kopsiloscine I
Peak:m/z	Relative Intensity
57.07003	3.9
58.06273	0.6
58.06535	13.4
58.07319	0.5
59.07293	2.7
60.08095	34.3
61.26853	0.4
62.16715	0.4
70.06514	2.6
79.05386	0.9
84.08063	0.9
85.02823	1.1
85.06454	3.0
86.06816	0.6
86.09615	0.9
91.04893	0.9
91.05408	16.1
93.07002	0.6
95.04892	4.6
103.05402	26.2
105.06969	18.9
106.02863	0.7
107.04892	12.2
109.06474	0.6
118.06499	0.6
119.04892	14.7
120.08038	1.0
121.06510	0.6
121.40273	0.5
123.04377	14.5
124.03918	1.3
130.06497	0.8
131.04887	7.3
134.05966	3.3
136.07549	22.6
144.04422	7.9
144.74907	0.6
146.05997	3.4
147.04379	5.2
147.06761	2.0
159.10130	1.3
160.10498	1.1
162.05469	100.0
163.35573	0.5
165.05446	6.5
177.11229	0.6
182.08098	2.7
190.04955	0.7
208.05977	5.2
221.09567	2.6
238.12206	2.7
266.11743	3.2
270.11148	1.9
284.12805	2.6
312.12183	1.0
351.02246	0.5
371.19586	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
55.05447	11.4
56.00814	5.1
57.03371	6.9
61.02858	11.8
62.45345	6.3
67.05438	8.6
68.46830	5.9
69.03348	53.5
69.06992	16.0
70.08860	6.1
71.41951	7.0
81.03337	12.1
81.06972	35.9
85.02814	72.9
91.05408	9.9
91.32208	5.9
92.64732	6.3
93.06977	15.7
94.10152	6.3
95.04895	35.9
95.08534	27.0
97.02811	29.1
97.03497	5.7
97.06467	7.8
105.06984	13.6
107.08567	33.5
109.02866	9.2
109.06472	11.0
109.10100	13.7
114.02605	6.6
116.98607	9.8
119.08534	8.6
121.10095	15.4
123.08037	15.0
127.03912	8.6
133.10213	7.6
135.08034	9.3
137.05917	7.2
137.09616	13.4
149.09610	16.3
149.13217	8.2
151.11201	45.0
165.12695	73.0
167.07013	10.2
191.14275	14.5
209.15378	100.0
382.34528	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	371.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00238	2.0
53.03887	2.8
53.26407	0.9
55.01813	1.8
55.05453	44.7
55.92799	1.1
57.03374	27.6
57.07006	12.3
57.65762	1.0
59.61230	1.0
65.03858	1.4
67.05428	78.9
69.06988	26.6
71.04898	2.4
71.08547	25.1
76.55679	1.1
79.05412	35.5
81.06977	100.0
83.04897	6.1
83.08540	21.7
83.97781	1.0
84.19440	1.0
85.06447	4.5
85.10105	16.4
87.78962	1.0
91.05406	29.9
93.06975	35.8
95.04910	5.1
95.08534	70.9
97.06467	5.9
97.10104	4.9
99.08018	13.1
105.06984	21.1
107.08528	19.0
109.06460	2.4
109.10107	19.6
111.08018	1.6
113.09575	14.6
117.06998	2.2
119.08543	15.6
121.10098	11.8
123.08049	1.5
123.11694	8.6
131.08548	7.1
133.10123	14.8
135.11678	9.3
137.13245	5.4
138.27628	1.2
145.10092	5.0
147.11685	12.2
149.13210	7.4
151.14758	1.9
153.12715	1.5
159.11638	2.2
161.13237	4.9
163.14790	5.4
165.12762	2.0
167.14264	5.3
173.13200	2.5
177.16362	1.5
179.14209	2.1
194.38078	1.2
233.22417	1.9
243.20941	4.4
261.22092	7.8
279.23120	27.2
291.64441	1.5
335.25323	1.6
353.26828	13.8
362.46741	1.6
371.27924	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01802	4.5
55.05217	3.7
55.05450	61.6
57.03364	6.0
57.06987	4.9
58.04110	2.3
60.34045	2.2
61.46062	2.4
62.14597	3.0
67.05076	3.6
67.05428	100.0
69.03336	3.9
69.06983	60.0
71.04914	2.8
71.08558	5.9
74.90126	2.6
79.05405	48.0
81.06506	3.9
81.06973	94.7
83.04897	5.5
83.08522	26.2
91.05394	17.0
92.11019	2.8
93.06968	41.5
95.08531	54.1
96.80154	2.9
97.06445	4.8
97.10100	21.5
105.06979	11.2
107.08523	33.3
109.10110	36.6
109.80513	2.7
117.06986	4.3
119.08498	10.7
121.10080	15.5
123.11638	5.6
125.09558	11.7
131.08507	6.6
133.10065	5.7
135.11667	17.4
135.96230	2.7
145.10127	3.0
147.11639	6.0
149.13345	3.6
153.12753	4.3
173.13214	3.7
189.11212	2.9
245.13716	3.0
261.22031	13.4
279.23114	34.0
353.26843	40.1
371.27863	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84819	1.0
51.25830	0.9
53.00243	2.8
53.03895	1.4
55.01814	6.3
55.05453	27.1
57.03372	16.1
57.07015	7.5
67.05425	70.7
69.06987	23.7
71.04893	2.4
71.08546	100.0
77.89584	1.1
79.05402	37.0
81.06975	80.1
83.04904	6.6
83.08532	17.8
85.02799	1.3
85.06464	2.9
86.47598	1.1
86.99687	1.1
91.05399	28.6
92.10238	1.6
93.06974	35.6
95.04898	4.9
95.08530	59.3
97.02842	1.5
97.06480	7.2
97.10096	9.4
99.08021	51.2
105.06964	22.2
107.08532	20.7
107.99425	1.2
109.10103	16.8
111.07309	1.2
111.08022	2.3
117.06960	2.7
117.09042	1.8
118.54942	1.2
119.08524	17.7
121.10095	13.6
123.08009	2.2
123.11637	1.7
125.09572	3.0
127.11149	2.1
131.08499	9.6
133.10112	2.2
133.26505	1.2
135.11650	10.5
137.13240	5.7
145.10109	7.7
147.11655	34.2
149.09593	1.4
149.13290	2.8
153.12738	5.3
154.96837	1.2
159.11575	1.8
161.13205	2.0
163.11142	5.4
163.14748	9.5
165.12738	11.4
165.16632	1.2
167.14244	1.7
173.11711	4.8
173.13232	5.4
181.15773	2.5
203.48068	1.3
226.03699	1.2
243.21107	9.4
261.22061	12.9
279.23145	38.5
280.23395	2.1
353.26761	46.0
354.27057	1.9
371.27954	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	371.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	2.3
53.03887	1.5
55.01807	5.6
55.05450	32.5
57.03376	15.6
57.07011	8.0
65.03858	1.3
67.05428	69.2
69.03366	1.6
69.06642	1.8
69.06991	28.5
71.04900	4.9
71.08548	100.0
79.05412	39.6
81.06974	81.1
83.04909	7.7
83.08539	17.5
85.06472	5.3
85.10095	1.3
91.05407	25.6
93.06969	35.1
93.07522	2.1
95.04910	2.2
95.08537	56.0
95.09150	1.9
97.06470	9.0
97.10097	10.8
99.08023	57.6
99.31914	1.1
105.06973	26.4
107.08535	26.0
107.09208	1.8
109.06433	2.1
109.10111	19.4
111.08037	4.9
117.06954	5.5
117.09038	1.6
119.08538	21.9
121.10091	19.3
123.08055	1.7
123.11668	8.8
125.09576	4.3
127.11147	4.7
131.08569	11.1
133.10098	2.6
135.11656	12.9
137.13216	7.2
141.12633	1.3
145.10159	9.9
147.11664	42.2
149.13226	4.8
151.14821	1.9
153.12732	5.4
159.11693	4.6
161.13177	4.4
163.11118	6.7
163.14772	8.6
165.12729	13.8
167.14304	2.0
173.11676	5.2
173.13229	5.4
180.13460	1.1
181.15800	5.3
187.14722	1.8
229.14284	1.4
233.22508	1.3
243.21088	9.4
255.19437	2.7
261.22089	16.9
279.23117	41.5
303.26312	1.1
342.80536	1.2
353.26782	50.3
371.27664	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	372.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	1.9
56.04966	2.4
57.07003	2.2
58.06540	0.4
60.04438	0.4
61.01075	0.4
64.54118	0.3
67.05415	0.9
69.03354	0.6
69.06990	1.0
72.04432	50.9
72.99793	3.0
74.06020	0.4
77.89173	0.3
79.05400	0.5
81.06980	0.9
82.26656	0.3
85.02831	0.4
87.04358	0.5
88.02141	100.0
88.07568	3.6
91.05385	0.6
93.06958	0.6
95.08568	0.4
97.35246	0.4
100.54179	0.4
109.10165	0.5
118.08590	0.5
119.08562	0.6
121.06490	2.1
137.04192	2.1
137.09598	0.8
138.34731	0.4
138.61967	0.4
177.12741	2.5
180.08499	0.7
196.07901	1.6
199.72852	0.4
208.07935	3.9
232.22462	0.4
233.54475	0.4
283.26288	0.5
304.78809	0.4
316.13568	10.0
324.32541	2.2
371.25479	0.5
372.34732	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	372.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24755	0.3
55.05440	1.5
55.06374	0.4
57.07005	0.6
65.03858	2.2
67.05430	0.9
69.06986	0.9
81.06999	0.7
83.08583	0.4
85.02818	0.5
91.05407	100.0
92.05775	0.9
95.08543	0.7
108.08071	1.8
175.70180	0.4
303.32336	0.4
372.32501	16.1
373.32889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1129
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
51.02319	0.3
51.55549	0.1
53.03889	2.0
53.60183	0.2
54.98122	0.1
55.05436	0.2
56.96505	0.1
57.03379	1.9
59.58052	0.1
63.83387	0.1
67.85766	0.1
69.03344	0.2
70.06503	1.1
71.01260	0.2
72.08070	0.2
72.73080	0.1
73.02835	1.6
75.04356	0.1
77.03843	0.3
79.05407	2.6
81.03334	0.3
83.01244	0.2
84.08064	0.3
84.81785	0.2
85.02827	4.5
86.09612	1.0
95.01262	4.4
95.04894	6.3
95.08524	0.2
97.02815	0.3
99.00756	0.3
101.02331	0.2
103.03866	0.2
105.03336	100.0
106.02906	0.5
106.03673	1.1
109.02821	0.2
113.02305	1.5
123.04382	3.2
124.03928	0.7
127.03872	0.2
129.10300	0.2
131.03407	0.8
141.01813	4.4
158.05850	0.2
159.02786	0.2
179.06996	11.6
197.08038	6.5
231.13977	0.2
269.08316	0.2
331.23572	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1126
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
53.03886	1.6
55.05451	0.5
56.04977	0.5
56.96502	0.5
57.03372	4.1
67.05393	0.5
69.03340	2.3
69.07010	0.5
70.06509	7.6
72.08057	2.4
73.02821	1.7
77.18314	0.4
79.05402	8.5
81.06960	0.7
81.99190	0.5
84.04421	3.1
84.08064	2.7
85.02837	5.5
86.09624	2.4
91.05408	1.1
92.10879	0.5
93.06923	0.5
95.01257	2.8
95.04895	6.1
96.05245	0.4
97.02853	0.6
97.62490	0.4
98.97496	1.0
105.03332	100.0
105.06991	0.5
106.03670	1.6
110.07133	0.7
113.02295	0.5
116.98541	1.1
120.07988	0.5
123.04374	8.5
125.85162	0.4
129.10155	0.8
130.04964	0.7
131.03412	0.6
133.10088	0.6
134.99651	0.5
136.07536	0.4
141.01828	2.6
145.02821	2.1
147.04305	0.7
157.85191	0.5
177.05479	1.9
179.06990	21.4
185.08104	0.6
186.08319	0.6
197.08075	3.6
206.63573	0.5
246.88997	0.5
373.10443	0.8
373.14117	2.1
373.18417	1.0
384.03149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48164	1.4
63.07494	1.1
67.05411	1.8
73.47433	1.3
79.05385	1.8
81.06956	3.2
93.06998	2.3
94.04100	2.7
95.04878	2.8
98.69479	1.2
109.06480	3.1
109.10113	2.2
115.05404	19.5
117.06959	6.6
121.10163	1.8
122.03620	9.4
129.06952	1.4
132.05646	1.4
137.05948	100.0
143.04900	7.7
144.05656	5.6
145.06435	1.9
151.03903	9.8
159.04419	12.3
160.05154	30.3
170.48593	1.3
175.07510	35.6
187.03934	3.0
187.07515	10.9
196.05200	2.6
201.05434	8.4
211.07536	16.7
219.06468	16.0
231.06572	1.7
239.07002	10.9
271.09631	12.4
297.10913	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	373.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36057	4.2
52.13549	4.7
55.05443	11.5
67.05421	22.7
69.03349	8.9
69.06985	33.1
71.33082	4.3
79.05406	5.4
81.06980	74.1
83.04898	6.8
83.08525	7.2
93.06974	47.2
95.04904	100.0
95.08520	40.8
97.06454	7.3
97.10080	7.0
105.06977	13.1
107.08556	40.0
109.06468	28.1
109.10089	47.8
111.07949	7.3
119.08559	10.6
121.10088	28.3
123.11668	12.0
125.09612	7.0
133.10104	24.9
137.09546	7.2
137.13260	9.3
144.75237	5.6
145.10155	7.6
147.11681	8.3
151.11133	12.5
163.11136	9.8
165.12781	6.1
250.59132	5.2
299.75815	5.2
319.22736	9.1
348.90497	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	373.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43687	5.4
52.19093	6.0
54.82148	6.2
55.05450	11.4
67.05415	35.4
69.03336	9.2
69.06992	12.3
79.05409	15.3
81.06963	82.4
83.04877	6.9
85.06448	8.7
91.05386	13.5
92.10938	6.4
93.06962	62.7
95.04897	100.0
95.08536	43.4
97.06457	5.8
105.07028	19.5
107.08535	57.4
109.06447	27.2
109.10081	48.9
111.07990	10.9
119.08511	13.5
121.10122	31.9
123.08033	7.9
123.11659	15.7
127.07555	10.3
127.51410	6.8
133.10069	14.7
135.08029	7.0
147.11623	8.1
151.11131	8.1
159.11588	10.8
234.86349	6.4
301.21475	9.0
319.22604	24.4
337.23593	11.7
378.46393	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	373.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00233	3.6
54.08346	2.8
54.82237	3.1
55.05446	31.9
57.03366	4.2
57.06742	3.4
57.07011	94.7
60.09060	3.0
67.05432	43.5
68.19772	3.3
68.49027	3.1
69.06989	36.9
71.08184	5.2
71.08549	100.0
76.56921	5.3
79.05400	20.7
81.06967	84.6
83.08535	37.5
91.05394	4.9
92.04319	4.0
93.06940	5.4
95.08521	38.5
97.10074	16.1
104.90608	3.7
105.06998	5.2
107.08535	8.9
109.10101	20.2
111.11687	4.1
121.10052	6.2
123.11620	17.9
133.10054	3.5
141.12691	19.1
155.58121	3.7
161.13249	3.8
213.54509	3.7
263.23645	5.0
299.25577	15.4
355.28452	57.7
374.36270	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	373.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48097	1.1
55.05454	25.0
56.04959	1.1
57.07000	4.7
64.32127	1.0
64.32996	1.4
67.05432	21.4
68.99689	1.2
69.06995	23.9
71.08524	1.7
75.95495	1.3
81.06977	10.3
83.08552	12.8
88.07549	2.4
95.04897	4.8
95.08530	6.8
97.10131	8.6
109.10141	1.5
111.11712	1.3
123.04388	100.0
137.05965	9.0
149.05959	7.8
163.07498	13.3
175.48843	1.5
177.09204	1.9
373.26340	1.5
373.30942	7.0
373.35025	1.8
374.13428	1.3
374.30249	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	374.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61681	1.2
52.87260	1.1
53.03880	2.7
55.05435	2.0
57.03367	6.2
57.07001	5.5
61.02843	2.0
65.03864	1.5
65.38284	1.2
67.05401	2.2
69.03355	10.6
69.06977	1.9
70.06508	17.9
71.04889	2.1
72.08060	7.1
79.05386	3.5
81.03336	3.0
82.06483	1.7
83.04907	1.4
84.04436	3.3
84.08073	11.1
85.02812	21.4
86.09631	8.1
87.04411	1.6
88.03874	1.6
89.03828	2.0
89.45972	1.3
91.05393	6.3
95.01254	1.4
95.03645	7.4
95.04896	33.1
97.02821	7.9
105.03340	39.0
105.06971	1.5
106.03661	15.7
107.03670	5.5
109.02818	1.9
110.05987	56.5
110.06771	2.0
110.07113	2.8
114.28764	1.4
116.06960	1.4
116.98540	2.4
117.03317	8.5
122.05978	12.0
123.04365	14.8
125.21400	1.5
127.03912	3.1
129.10191	3.2
133.10115	3.5
134.99596	1.7
136.07553	1.9
138.05453	10.2
145.02820	28.9
149.04703	14.3
149.05908	5.8
150.01848	1.8
151.02618	9.8
165.04230	1.9
166.04958	100.0
177.05432	37.6
179.07051	7.9
180.07320	2.1
194.04446	82.1
195.04913	2.0
195.06480	11.6
212.05507	7.1
287.72363	1.4
375.12451	17.4
391.31296	1.7
391.69385	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	374.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81999	0.3
57.03365	2.6
65.01241	0.3
71.01272	3.6
73.02830	5.8
76.97864	0.3
78.03380	4.4
80.04923	3.4
83.01233	0.6
85.02827	9.8
86.60664	0.3
95.00658	0.5
95.01250	6.2
96.04422	4.0
97.02852	0.5
99.00749	0.6
101.02318	1.8
103.03909	1.2
104.70908	0.3
106.02857	19.0
113.02306	4.1
124.03909	100.0
125.04239	0.8
131.03369	2.0
140.03372	0.3
141.01814	8.4
159.02867	0.6
167.49243	0.4
180.06532	6.8
198.07574	41.0
199.07869	0.6
256.12820	0.4
374.10693	5.6
397.82748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30069	1.3
56.96491	4.2
57.03370	2.0
61.02859	1.9
63.24011	1.7
63.24356	1.5
65.20784	1.7
68.99705	7.2
69.03346	7.0
69.53817	1.4
70.06495	2.1
73.47059	1.5
79.05416	2.0
81.03331	2.5
83.01261	2.9
84.04443	2.3
84.08068	3.7
85.02831	25.5
86.09615	3.4
92.10981	2.7
93.06955	3.5
97.02831	3.5
98.97496	2.9
99.41108	1.6
99.50908	1.9
103.05388	3.7
105.06997	3.5
106.02874	3.2
108.98815	1.9
109.02815	2.1
116.98570	3.5
121.06435	14.3
124.03899	3.4
124.81110	1.7
127.03879	9.0
131.04926	2.4
133.06483	9.0
145.02855	2.5
145.04947	1.7
149.05989	17.6
151.07544	4.2
153.05447	7.9
159.04416	10.5
175.92648	1.7
177.05443	100.0
195.06496	51.2
278.74899	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	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	3.0
54.82101	0.6
55.01815	4.3
55.05445	0.8
56.96494	0.6
57.03366	3.7
61.02854	3.6
65.03858	1.4
67.05402	0.7
68.99692	1.1
69.03350	19.3
70.06501	2.7
71.04906	3.2
72.08047	1.2
73.02839	3.2
81.03336	13.0
81.06986	0.6
83.01254	0.6
83.04903	0.7
83.06006	0.5
84.04425	3.5
84.08072	0.7
85.02827	43.5
86.09136	1.0
86.09623	13.6
87.00751	20.1
87.04373	0.7
87.09976	0.8
90.51730	0.6
90.77740	0.6
91.05405	100.0
92.05727	0.6
95.04906	1.1
95.08551	0.5
97.02823	14.7
99.04393	6.1
103.03862	0.7
105.01801	16.6
105.06965	1.0
108.04401	0.9
109.02825	10.5
109.69136	0.6
110.53979	0.5
116.98562	0.7
117.01801	0.8
117.06953	1.0
123.61530	0.5
124.03944	0.7
125.77129	0.6
127.03873	21.4
129.01802	1.2
129.06989	0.9
131.11758	0.6
145.04944	9.1
145.06447	1.0
147.02846	0.6
159.02914	5.2
175.07547	0.6
175.96358	0.6
177.05516	0.6
189.03944	0.9
213.03929	0.9
215.22743	0.7
217.08401	0.6
231.05037	5.0
249.05914	2.5
260.16443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07656	0.9
55.05439	1.1
56.04956	1.9
56.12552	0.8
56.45689	0.8
56.96500	2.1
57.03362	2.0
57.06101	0.9
60.04449	0.9
69.03345	4.2
69.06991	15.8
70.06512	8.6
71.01266	1.3
71.04894	1.3
72.08065	4.2
73.02818	2.3
75.05482	1.8
80.04935	2.3
80.39360	1.0
83.06027	4.1
84.03940	1.7
84.04429	44.8
84.08064	3.8
85.02843	11.2
85.03971	1.5
86.09630	100.0
87.05531	11.9
87.76753	1.0
88.03938	8.9
90.05447	1.3
95.01256	2.4
96.04413	5.5
96.08052	5.5
97.02800	2.2
98.02342	5.2
98.97499	1.6
101.02321	1.5
101.07080	10.4
102.05462	6.3
106.02857	12.3
110.09598	3.6
113.02310	1.6
113.10734	1.7
114.05516	1.0
114.09203	1.0
115.04998	6.6
116.07051	2.3
116.98593	1.9
118.08605	29.3
124.03913	72.5
127.03851	1.3
128.04575	1.3
129.06557	2.2
129.10228	1.7
130.04970	68.0
131.03389	1.3
134.01181	1.2
134.99588	2.1
138.09091	6.2
141.01813	5.8
141.10207	15.0
147.07632	36.9
155.11763	17.1
161.01199	1.6
170.04457	11.3
171.11279	1.7
180.06523	5.3
183.11256	6.7
187.07133	6.4
198.07571	24.3
200.13884	22.5
204.09782	8.7
218.03252	1.2
219.01801	1.4
228.13428	8.2
228.39879	1.2
244.09343	1.4
253.11905	1.2
261.11938	7.5
270.14484	4.8
374.10596	4.8
374.20224	7.6
375.23657	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	374.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81620	0.8
55.05457	1.0
64.45959	0.7
69.06973	1.0
70.06500	1.0
78.65811	0.8
81.06985	1.7
83.08518	1.3
88.07547	1.7
92.10963	1.0
95.08533	1.1
105.50407	0.8
123.04387	3.5
178.12907	0.8
192.01143	0.8
216.40004	0.9
311.05759	0.9
312.32523	1.8
370.77936	1.0
374.30243	100.0
375.29922	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	374.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73854	0.2
55.05444	0.3
55.51286	0.2
56.69320	0.2
57.07005	1.4
65.03864	2.3
69.06986	0.3
71.08546	1.0
79.64690	0.2
81.06978	0.5
82.94754	0.2
85.10087	0.3
89.22879	0.3
91.05407	100.0
92.05754	0.6
93.26045	0.2
95.08553	0.5
103.54185	0.2
165.64394	0.3
177.57510	0.3
183.50256	0.3
183.52078	0.3
188.53397	0.2
220.08830	0.3
241.91699	0.3
362.57660	0.2
373.88480	0.3
374.34082	20.0
375.34122	0.7
393.63666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04176	0.7
55.05455	1.4
57.07014	19.0
58.06520	3.7
70.06139	1.7
70.06506	35.0
71.08537	6.9
85.10116	1.7
88.07554	44.7
89.66653	0.8
95.08511	1.0
102.09126	26.6
132.10129	1.2
146.11674	1.2
150.11299	0.9
220.22379	0.8
228.83354	0.9
268.29871	1.2
312.32562	61.5
313.33008	1.0
356.35190	5.0
374.36215	100.0
375.36465	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	375.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	0.6
53.03880	1.1
54.81738	0.5
55.01817	2.1
55.05451	6.1
56.96498	0.6
57.03360	2.7
57.07001	2.9
59.04927	3.1
61.02862	0.5
65.03860	2.4
67.05432	12.9
69.03358	5.8
69.06610	0.6
69.06990	18.2
70.06521	4.2
71.04913	2.5
72.08062	2.8
73.02831	0.5
79.05415	5.9
81.03335	3.0
81.06504	1.2
81.06975	30.6
83.04903	4.3
83.08525	2.3
84.04423	0.7
84.08054	1.0
85.02825	6.6
85.06467	17.9
86.03152	1.0
86.09632	2.3
87.00750	1.0
87.04400	0.7
87.09967	0.6
91.05408	8.7
92.05760	4.6
92.10269	0.6
93.06979	19.4
95.04899	100.0
95.08537	17.2
97.02837	2.4
97.06477	5.6
97.10117	1.1
98.97516	0.7
99.04382	2.6
99.07990	3.7
105.01778	0.6
105.06979	8.7
107.08542	15.8
108.08128	0.6
109.06480	14.1
109.10104	12.9
110.03188	0.8
111.04377	0.5
111.08022	5.7
111.11674	1.2
116.98555	1.0
117.06992	0.9
119.08527	6.6
120.08086	2.9
121.06452	0.9
121.10101	16.3
123.08034	1.9
123.11665	5.4
125.09552	4.1
127.03893	2.0
127.07519	2.7
127.11139	0.7
131.08543	2.4
133.10107	5.6
134.99661	1.0
135.08014	2.0
135.11679	4.1
137.05940	0.8
137.09624	1.1
137.13254	1.0
138.09111	2.8
139.11131	7.9
143.08618	0.9
143.10637	2.2
143.11687	0.7
145.02878	1.9
145.04948	0.6
145.10097	5.2
147.11687	6.0
149.09616	2.1
149.13226	2.3
151.03908	7.3
151.04988	0.9
151.11209	2.1
153.12752	0.7
155.10640	0.9
157.10147	2.0
157.12225	6.3
159.11702	4.6
161.13251	2.3
163.11162	2.2
163.14798	0.6
165.12727	0.8
167.10646	2.0
169.12231	1.0
171.11678	1.0
173.13261	1.0
175.14789	0.9
177.05482	1.0
177.16452	0.8
181.12254	1.0
183.13829	1.7
185.13283	0.7
188.07101	1.0
189.16359	0.8
201.16403	1.9
203.14160	0.7
203.17868	0.6
211.14816	1.0
213.16446	0.7
221.19107	0.5
257.33890	0.5
261.22104	0.6
267.20847	0.6
284.78372	0.5
285.22137	2.8
303.23077	5.2
321.24234	9.8
339.25284	2.0
357.26135	1.9
375.15265	0.6
375.27194	0.6
376.05069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34157	2.8
56.96504	98.6
57.07017	7.2
70.06513	15.5
71.08540	7.1
77.99365	3.5
83.08512	3.4
88.07539	7.9
88.11177	8.6
101.52816	3.8
102.09145	7.8
104.46743	3.4
109.10001	4.0
119.01849	3.2
128.98570	6.5
140.45644	3.8
141.02289	4.1
155.03603	3.9
165.12738	18.0
189.07883	4.5
231.08995	7.8
239.09453	16.1
242.78767	3.5
245.10368	4.1
253.11009	14.8
257.10535	21.6
259.12054	8.0
269.10519	14.2
271.12146	19.1
287.11523	5.1
308.02676	3.6
313.32800	15.7
314.33139	5.0
323.18851	7.5
335.18768	22.0
353.16034	6.0
353.19940	100.0
371.20917	21.7
375.36624	34.6
376.21280	7.4
376.32166	8.5
376.36725	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	376.259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96513	0.5
57.07011	90.8
62.06009	1.4
63.18491	0.5
76.59023	0.7
92.64551	0.6
108.04452	0.8
125.07083	10.8
126.05465	9.3
134.73575	0.7
175.10616	0.6
183.22304	0.6
191.11752	2.8
208.14459	5.1
209.12817	21.2
210.11234	2.2
218.12788	8.9
219.11203	5.4
260.15137	2.8
265.16461	1.1
274.19162	0.8
275.04697	0.7
275.17441	14.1
288.92209	0.9
292.20166	17.5
293.18457	10.9
293.21173	0.8
293.66843	0.7
302.15186	1.0
302.18573	24.6
343.22549	1.3
353.22385	0.6
358.24768	1.5
376.25873	100.0
377.26089	3.0
394.26883	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	376.305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13438	1.0
53.03884	1.4
55.05450	5.6
57.06994	2.0
67.05432	6.5
68.33958	1.2
69.06985	12.8
69.45888	1.4
70.82825	1.4
72.08036	1.9
79.05389	12.1
81.06977	37.0
83.08529	6.5
91.05370	2.3
93.06965	10.5
95.04891	27.9
95.08545	5.8
97.06461	2.8
105.06929	2.4
107.08559	7.3
108.04760	1.5
109.06470	100.0
109.10123	3.0
111.04372	1.9
111.08026	2.3
113.98533	1.5
121.10067	6.3
123.11673	1.7
125.05939	2.3
133.32179	1.2
135.11649	1.5
137.09550	1.3
138.06442	1.4
163.82536	1.5
165.59190	1.4
180.17813	1.5
209.18982	2.4
305.24719	13.1
323.25717	9.5
359.26840	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	376.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81667	2.5
55.05441	11.3
56.04960	8.7
57.03363	2.0
57.06988	4.2
58.06515	2.8
60.04434	9.9
67.05431	8.8
68.04955	10.8
69.06975	12.9
71.08526	2.8
72.04427	100.0
74.05984	16.7
76.03919	11.2
81.06954	9.0
83.08526	5.2
86.05990	3.0
88.03925	9.8
88.31377	2.0
88.31941	2.3
95.08516	10.1
102.05474	3.4
109.10067	3.9
110.34045	2.2
114.05474	5.4
118.04961	71.0
282.27808	11.4
310.27350	8.2
312.28769	2.7
340.28311	5.0
358.29407	13.6
376.30475	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90741	0.8
57.07004	1.5
60.10819	0.8
65.36980	0.7
66.45220	0.8
69.95830	0.9
71.08567	1.0
85.10087	1.0
88.07563	2.2
89.05923	1.0
193.29498	1.0
257.85092	1.3
313.32962	1.4
375.36523	1.8
376.31787	100.0
377.32230	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	376.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	1.0
55.05455	0.6
55.96164	0.4
57.06815	0.4
57.07018	5.8
67.05417	1.0
71.08534	2.7
81.06973	2.6
85.10112	1.8
86.17663	0.5
91.05414	5.4
93.06970	11.2
94.36193	0.5
95.04900	3.7
95.08536	2.0
103.05407	7.2
109.10089	0.7
121.06459	100.0
138.09117	11.8
321.84033	0.5
335.16608	0.8
375.36627	0.9
376.31860	32.3
377.32425	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	376.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00242	0.4
54.28092	0.2
55.01819	0.3
55.05455	1.8
57.07016	0.5
67.05426	2.6
69.06990	11.3
70.03894	0.2
70.06503	0.4
71.04907	0.2
71.08550	4.7
79.05412	1.3
81.06973	3.5
83.08543	1.0
84.08073	4.0
86.09633	100.0
87.09974	0.5
90.69654	0.2
91.05404	1.0
92.10313	0.5
92.62182	0.2
93.06983	2.4
95.04899	0.5
95.08539	3.3
97.06472	0.8
97.61749	0.2
99.08041	2.1
105.06986	1.0
107.08544	1.5
109.06473	2.3
109.10134	1.1
112.07558	7.8
119.08500	0.4
120.08063	0.2
121.10076	0.4
123.07986	0.2
123.11676	0.3
133.10219	0.3
135.11658	0.3
140.10649	0.5
147.11691	0.3
149.13228	0.3
151.11214	0.3
154.12244	1.6
160.80023	0.2
161.13170	0.3
165.12729	3.5
168.13815	1.0
179.14304	0.4
182.15433	0.5
196.16872	0.3
210.18501	0.3
234.45355	0.3
235.16930	0.4
278.24762	4.6
278.40317	0.2
282.47400	0.3
291.23328	1.7
332.89096	0.3
350.82465	0.2
368.41519	0.2
376.32043	31.9
377.32346	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1453
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
51.71964	0.5
53.00229	1.3
53.03880	3.0
55.01798	1.3
55.05434	0.6
56.04972	0.9
56.96491	2.9
57.03376	15.3
57.20778	0.5
59.04923	0.7
61.02851	5.3
69.03351	25.2
69.06991	0.6
70.06515	12.2
71.01291	2.0
71.04910	6.2
72.08063	0.8
73.02827	4.2
75.04401	6.1
81.03339	6.9
81.06975	1.2
84.04418	1.0
84.08057	2.4
85.02826	0.8
86.09635	2.4
87.04394	0.8
91.05402	1.2
93.06969	0.6
96.08055	1.0
98.97508	1.1
99.04379	7.4
100.86772	0.6
103.05357	0.7
109.10149	0.7
116.98532	1.1
117.03348	0.7
119.08525	0.7
120.08076	4.3
124.03935	0.9
124.07526	3.0
129.10156	0.6
130.06471	1.0
133.02797	0.7
137.05963	1.1
142.08603	0.9
145.07587	6.0
146.09644	3.6
147.09999	0.9
155.70656	0.6
170.07109	3.4
172.08669	57.9
174.10181	1.1
175.08655	1.4
177.00720	0.7
179.10915	0.6
179.76401	0.6
183.09323	0.7
186.10191	0.8
190.09743	3.3
197.08081	0.7
198.06567	10.6
198.10306	0.7
200.08156	5.4
214.09743	1.1
216.07671	34.6
218.09256	2.6
219.01802	0.6
226.09828	0.6
229.15477	0.8
243.08730	100.0
244.09084	1.4
359.13419	4.4
376.22256	3.8
377.14471	87.4
377.22449	4.2
378.14960	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2658
Annotation	2-(14,15-Epoxyeicosatrienoyl) Glycerol
Peak:m/z	Relative Intensity
51.81918	0.9
51.87958	1.2
53.03259	0.9
54.68658	1.2
57.22997	0.9
60.17431	1.2
65.58784	1.1
68.25819	1.1
71.08571	1.0
74.94275	1.0
85.17542	1.1
89.05939	6.9
91.80550	1.2
92.10891	2.3
97.58376	1.0
101.45406	1.3
102.39515	1.3
166.97653	1.1
377.26556	100.0
378.26813	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	377.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52762	3.9
55.05438	24.7
56.65075	3.9
57.08529	4.2
57.12977	4.4
57.22048	3.6
58.92209	5.3
60.33736	4.3
64.33972	4.9
67.05429	47.9
69.06979	35.0
72.08060	65.5
79.05417	60.6
81.06963	58.6
83.08513	4.5
91.05398	21.3
93.06979	52.8
95.04876	47.1
95.08526	21.8
96.05219	7.5
97.06432	6.6
105.06954	21.9
107.08518	24.3
109.06464	100.0
109.10096	19.6
110.06787	31.2
117.06968	20.5
119.08506	9.1
121.10066	8.5
123.08008	7.4
128.06197	5.0
131.08543	9.3
135.08075	5.8
135.11662	8.2
143.08499	5.1
145.06441	5.5
145.10023	6.5
147.08017	22.4
159.08058	8.3
161.09523	7.8
175.07387	7.1
175.11024	5.4
183.11670	5.6
187.11192	6.1
210.85670	5.0
215.10600	5.9
240.96449	5.1
243.17206	5.7
247.86711	5.2
271.16919	10.1
306.25015	8.4
342.24176	21.4
359.26810	72.0
377.23505	6.2
377.27783	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	5.3
55.01812	3.5
55.05455	40.6
56.96502	3.8
57.03359	3.2
57.07012	6.0
59.04925	4.9
64.33665	2.7
67.05431	38.1
69.03352	10.6
69.06986	41.8
70.06507	16.6
71.04900	11.7
75.36707	2.7
79.05416	30.5
81.06977	100.0
83.04896	25.5
83.08578	2.9
84.04427	5.6
85.06451	41.3
86.09621	11.3
88.39973	2.8
91.05408	24.2
93.06972	87.5
95.04890	22.0
95.08530	54.1
97.06460	5.4
98.97529	3.8
99.08026	3.9
102.28999	2.9
105.06981	39.8
107.08529	45.4
107.51176	3.0
109.06470	15.2
109.10122	37.2
111.08036	4.6
117.06933	3.2
118.05121	2.6
119.08534	32.0
119.13280	2.6
121.10098	36.0
123.08033	3.9
123.11672	23.9
124.03932	3.3
131.08528	6.5
133.10106	15.4
135.11658	11.5
139.11160	13.7
145.10107	10.8
147.04434	3.4
147.11653	16.3
149.13237	4.0
151.11201	3.8
151.87485	3.0
153.12730	5.1
157.10175	4.3
157.12228	5.9
159.11609	12.4
161.13187	3.3
189.16476	4.6
287.23648	3.6
305.24716	14.7
306.09100	3.0
321.66138	3.4
323.25742	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	377.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10680	0.7
50.37899	0.7
52.58923	0.6
53.00237	1.6
53.03889	1.9
55.01798	2.0
55.05451	26.8
57.03380	1.4
57.07010	9.0
59.04937	0.8
65.03853	2.1
67.05425	29.3
69.03348	6.0
69.06991	35.2
70.06520	1.5
71.04904	7.5
71.08538	1.0
79.05408	20.9
81.03333	1.2
81.06975	88.6
83.04899	9.8
83.08527	7.4
84.16672	0.7
85.02812	1.3
85.06468	19.3
86.09641	1.2
91.05405	13.5
93.06976	51.5
95.04895	100.0
95.08533	49.9
95.09146	1.7
97.06475	8.8
97.10092	3.7
99.04360	1.4
99.08027	8.0
101.05965	1.7
105.06979	19.1
107.08539	31.3
109.06470	19.6
109.10107	31.1
111.08029	5.4
111.11640	1.1
114.09116	1.7
115.07490	0.7
117.06979	1.6
119.08536	17.2
120.08094	0.9
121.06483	2.0
121.10096	26.7
123.08012	4.1
123.11655	22.4
125.05933	1.0
125.09570	5.3
127.07520	8.5
131.08551	4.8
133.10091	8.6
135.08084	0.8
135.11659	13.0
137.09595	1.3
137.13228	5.0
139.11142	6.5
143.08487	1.1
145.10110	8.8
147.11691	8.4
149.09619	1.8
149.13248	6.8
151.11096	1.5
157.10077	3.3
159.11690	7.0
161.13235	7.7
163.11156	5.4
163.14716	1.0
171.11621	1.7
173.13251	4.0
175.08640	1.5
175.14735	1.3
179.14209	1.0
181.12157	1.7
187.14825	1.7
189.16406	1.9
199.14793	1.3
213.16377	3.9
217.19447	4.4
227.18062	1.1
229.09583	1.5
235.20451	1.9
253.21571	1.9
257.10129	1.3
260.07886	1.3
269.22546	1.6
287.23645	4.7
305.24741	8.0
323.25690	3.6
341.26785	1.4
360.11856	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	0.8
55.01801	1.9
55.05453	14.5
56.96507	1.0
57.03370	1.3
57.07005	4.5
59.04919	1.2
59.26833	1.1
61.07993	0.8
65.03855	1.4
67.05431	24.1
69.03365	3.1
69.06988	42.3
70.06506	1.5
71.04911	7.8
72.08056	1.2
73.26431	0.8
76.44064	0.9
79.05409	13.2
81.06974	79.8
83.04904	5.5
83.08535	6.7
84.04435	1.0
85.06467	6.8
86.09639	1.1
91.05404	11.9
93.06974	39.4
95.04894	100.0
95.08531	37.6
97.06445	7.1
97.10091	4.5
99.04392	2.1
99.08040	1.7
99.71085	1.0
101.05933	3.6
105.06972	18.9
107.08536	25.1
109.06467	33.5
109.10101	36.6
110.83796	0.9
111.08054	7.1
111.11617	1.2
117.06944	1.0
119.08510	12.9
120.08053	1.2
121.06480	1.9
121.10104	18.9
123.08032	4.5
123.11656	29.8
125.09657	1.2
127.07536	10.0
131.08545	4.7
133.10132	7.9
134.99644	1.3
135.08052	1.6
135.11630	10.2
137.09601	4.3
137.13211	7.5
139.11153	4.7
142.07770	1.1
143.08498	1.9
145.10123	9.7
147.11656	9.1
148.48447	0.9
149.09607	4.8
149.13260	5.2
151.11177	1.2
155.10625	1.2
157.10078	2.2
159.11600	7.0
161.13214	7.4
163.11154	5.4
167.10640	2.2
171.11667	1.8
173.13231	1.3
175.14783	3.6
177.12680	1.1
185.13072	1.2
187.14795	1.6
191.17935	1.7
213.16397	4.5
217.19464	1.6
247.85573	0.9
253.21622	1.2
267.19583	1.4
269.22577	4.4
287.23593	5.2
305.24789	4.8
323.25943	7.4
377.14291	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07013	84.3
58.07357	1.8
71.08549	55.8
83.08521	2.2
85.10108	28.6
89.05953	100.0
92.10225	2.7
107.07023	8.7
119.08522	2.1
127.20950	1.9
133.08548	23.8
150.08499	1.6
151.09572	3.8
177.11224	7.3
195.12248	33.1
210.68326	1.9
242.16086	2.0
271.77301	2.0
278.61487	1.8
377.26459	24.7
377.32068	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	378.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00547	0.8
53.03878	1.7
55.01810	1.7
56.96490	2.0
57.03376	1.4
61.02858	1.2
69.03348	5.1
70.06528	1.5
72.08071	1.0
73.02826	1.2
74.97520	1.1
81.03322	2.2
82.33191	0.8
84.04447	1.0
85.02831	16.5
86.09599	1.0
95.04903	24.2
97.02818	6.7
98.97512	1.3
116.98583	2.2
121.02842	1.4
123.04398	17.4
125.02309	5.0
127.03857	2.3
140.04663	100.0
141.05057	1.1
155.07007	23.5
159.58635	1.1
167.03363	1.5
173.08107	6.7
180.08600	1.1
181.04915	9.0
193.03773	1.0
199.06013	34.7
211.04764	1.3
217.03789	2.1
220.09012	1.3
235.04785	1.9
301.25229	1.3
333.38559	1.0
337.07938	3.8
369.92871	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	0.7
56.96489	1.0
62.80285	0.6
69.03336	3.1
70.06513	5.4
70.88103	0.8
73.02784	1.0
80.57298	0.6
80.74195	0.6
81.03344	1.2
81.35922	0.8
84.04420	2.8
84.08065	1.5
85.02831	9.6
86.09638	0.7
91.05393	0.6
97.02802	3.5
97.06488	0.7
98.97527	1.0
100.11153	0.8
109.02868	0.7
110.07112	0.9
116.98493	0.7
119.04887	0.8
120.02010	0.8
122.03602	1.4
127.03866	1.2
137.05956	100.0
138.06387	2.2
140.04614	1.4
151.07503	0.9
152.56354	0.7
155.07051	0.8
160.23093	0.6
163.07455	0.9
180.11383	0.7
181.08595	8.0
189.07167	0.8
203.78056	0.8
223.04048	1.5
227.17473	0.8
249.15776	0.8
301.14279	1.0
387.47546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61671	0.2
55.98902	0.3
57.07014	6.8
68.99709	12.5
73.84304	0.3
87.00749	3.4
92.10954	0.4
98.72814	0.3
111.00768	3.6
116.66246	0.3
120.88207	0.3
129.01794	100.0
130.02142	0.4
139.00227	6.5
157.01318	5.5
160.39842	0.3
178.28239	0.3
185.08046	24.3
213.07587	0.4
236.21378	0.3
259.15314	7.8
283.23453	0.4
361.22162	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2996
Annotation	Madangolide
Peak:m/z	Relative Intensity
51.44260	0.8
53.03876	0.9
55.05453	10.9
57.05759	1.1
57.07013	1.6
59.48296	1.0
67.05430	5.9
67.17079	0.9
69.06975	1.0
72.08070	100.0
74.09616	0.9
79.05408	5.5
81.06981	5.8
91.05380	3.5
92.75745	1.1
93.06966	7.1
95.08525	4.8
103.16822	1.0
107.08548	1.9
118.08610	21.7
121.10065	1.5
131.14618	1.0
133.10023	1.1
135.18909	1.2
153.03653	0.9
178.62105	1.0
281.43582	1.1
353.20322	1.1
378.33063	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	378.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52117	1.1
56.04984	4.5
57.07005	8.4
58.06539	16.5
67.05443	1.7
68.04947	1.9
70.06527	2.7
71.08553	3.2
72.04416	1.4
72.08072	26.9
74.06023	1.2
76.34151	1.3
86.05984	3.3
87.04398	5.2
89.05930	1.4
93.48252	1.4
100.07534	2.9
102.60431	1.3
104.10669	1.6
109.51278	1.5
118.08605	5.5
132.10168	87.4
153.00836	1.5
206.13979	1.9
210.22316	1.7
252.59186	1.6
255.67905	1.4
272.25668	1.7
286.27371	74.6
360.30844	1.5
378.32056	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	8.5
57.06992	2.4
63.46743	1.7
67.05418	7.7
69.06976	11.8
71.08546	51.7
79.05394	3.4
81.06988	15.2
88.11192	100.0
88.43832	1.6
91.05383	3.2
93.06980	4.8
95.08508	8.8
97.06464	3.3
98.05336	2.1
99.08041	3.3
105.06985	3.4
107.08532	3.5
109.06451	8.6
109.10139	2.8
119.08545	3.4
155.19588	2.0
165.12741	8.9
202.66843	1.9
268.01785	2.1
270.05716	2.0
280.26358	9.0
291.23083	8.6
378.33588	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87119	0.8
53.03880	1.6
55.05434	1.6
56.26823	0.9
56.73895	1.2
57.03368	0.9
67.05418	2.1
69.03339	2.3
70.06503	16.1
72.08058	5.5
73.02406	1.0
79.05431	1.4
81.06991	1.0
84.04428	5.2
84.08064	5.8
85.02818	2.5
86.09646	8.3
86.32208	0.9
90.36370	1.2
91.05376	1.6
93.06936	1.5
97.02786	1.8
98.97510	1.8
109.06489	1.1
110.07110	4.3
116.98535	1.6
120.08049	2.2
121.06436	4.6
124.03934	1.7
124.04979	1.4
129.10213	2.6
130.04883	1.7
131.00180	1.2
135.07980	2.2
147.04428	1.3
160.33891	1.2
166.07259	1.6
177.05530	1.3
186.27081	1.2
189.65334	1.1
202.07257	4.5
203.07985	5.2
204.08781	12.3
211.28633	1.1
215.08054	1.0
216.08781	100.0
217.09483	8.3
218.10321	12.3
224.60875	1.0
225.06433	5.8
226.07196	2.4
227.07872	1.6
228.08708	1.8
229.09616	1.3
230.10335	13.6
240.08752	28.8
242.10294	6.6
246.09792	17.1
258.09808	5.3
263.18417	1.3
283.09427	1.9
286.09314	26.7
315.11957	1.6
361.12482	1.8
379.09457	1.3
379.13614	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71506	2.0
53.03880	14.5
55.01788	2.6
55.05452	44.6
56.96492	2.9
57.03365	5.2
61.02855	2.5
69.03352	39.4
70.06516	19.5
71.04900	9.4
72.08043	2.1
73.02821	2.1
73.06464	87.7
79.05429	2.3
81.03336	48.3
83.04899	2.4
84.04416	4.9
84.08067	11.3
85.02829	100.0
86.05991	2.6
86.09620	8.7
91.05396	2.4
97.02820	48.3
99.04382	69.6
101.05955	50.5
103.03873	66.6
109.02831	33.0
110.07124	5.0
110.98979	10.5
121.23446	2.3
127.03881	76.8
129.10249	3.7
144.08026	3.8
145.04964	11.9
157.08591	3.9
167.84816	2.3
199.09622	10.8
259.11765	23.4
271.07959	2.8
375.47647	2.3
379.26846	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	379.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81885	1.0
70.06511	1.1
72.08070	1.6
74.02354	2.2
84.04453	1.4
94.02814	1.1
103.05444	1.6
112.72559	0.9
115.05379	1.4
117.06954	1.4
118.06494	28.3
120.08025	1.6
130.06494	78.4
130.77470	0.9
131.06874	4.3
132.04451	3.3
132.08109	9.8
140.04688	2.1
141.04979	2.3
142.06516	1.9
143.07361	3.7
144.08066	20.9
146.05988	100.0
150.03423	1.2
157.07576	4.0
158.05986	34.8
158.07278	1.4
159.06372	1.7
159.09157	13.0
160.07550	1.3
169.07520	1.2
170.05928	6.6
175.08655	4.7
187.74335	1.1
188.07031	97.4
189.07375	1.1
205.09691	21.4
206.62740	1.0
229.71021	1.0
234.98865	1.5
245.08817	1.5
261.08069	7.6
270.11041	1.9
272.08969	1.6
287.11377	1.1
289.07349	7.8
307.08630	4.2
393.53378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05434	1.2
56.04973	0.6
56.96490	0.8
58.06531	12.3
69.06983	1.0
70.06507	5.4
72.04424	1.2
72.08068	12.1
75.09113	0.6
76.50742	0.4
84.04417	2.7
84.08062	52.1
84.89779	0.5
85.02818	2.6
86.09628	7.6
88.03904	0.7
88.11189	2.3
89.03815	0.6
91.05390	2.0
91.16811	0.6
92.10249	1.0
93.06972	0.5
95.08508	0.6
95.17809	0.4
97.02802	0.6
98.09619	15.2
98.97541	1.0
100.07546	19.8
100.79368	0.6
101.07124	0.5
110.09612	4.3
112.11184	100.0
113.07066	12.7
113.11478	0.7
116.07008	0.7
116.98569	0.9
117.03329	4.9
119.04916	0.8
120.08069	9.3
129.10234	0.9
129.13834	46.0
137.05946	10.7
145.02817	30.4
147.04391	0.8
149.05965	3.0
151.03876	1.0
151.07500	0.6
155.11758	43.6
169.13354	5.4
171.14912	2.6
172.13202	0.7
177.05424	58.6
178.05809	0.7
210.21432	0.6
212.17529	1.2
214.19151	2.5
218.13853	1.1
229.20213	2.0
233.12781	0.7
234.08817	1.2
234.11185	38.9
235.11511	0.7
254.85039	0.5
284.11130	0.5
299.78278	0.5
305.18527	14.6
361.25836	0.9
365.95447	0.6
379.26950	54.8
380.27374	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	379.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	5.5
55.05459	15.6
57.07018	2.1
62.61370	1.2
65.03857	1.7
67.05428	59.8
67.05785	2.7
69.06992	17.2
70.06507	5.2
71.61427	1.2
72.08069	80.3
79.05400	16.6
79.89545	1.2
81.03323	1.3
81.06976	48.7
83.08555	1.6
91.05394	17.5
93.06956	11.2
93.41846	1.2
95.04873	1.8
95.08517	7.2
97.06471	5.2
98.05927	1.5
105.06974	16.9
107.04885	6.7
107.08549	3.1
109.10094	11.2
117.06989	11.8
119.04903	2.6
119.08558	12.6
121.06475	8.5
121.10082	2.1
123.04373	2.1
123.08015	6.4
123.11647	7.7
128.06126	1.8
129.06947	18.2
131.08493	9.2
133.06476	13.2
133.10110	5.9
135.08028	14.2
141.06946	1.3
143.08536	13.3
145.06451	2.9
145.10123	2.7
147.08025	34.5
147.11670	2.1
149.05956	2.3
149.09581	2.8
151.07497	10.7
157.06482	2.6
157.10118	8.0
158.79430	1.2
159.08034	1.8
161.05904	2.0
161.09608	9.0
163.07491	16.0
163.11066	2.2
164.07063	4.9
165.09117	4.9
167.08580	1.4
169.10136	1.5
171.08020	4.9
171.11662	7.3
173.09613	1.6
175.07516	17.7
175.11084	11.3
177.09138	1.6
178.08609	1.9
184.46472	1.2
185.09601	9.3
185.13246	6.2
187.11122	1.9
189.09106	6.1
189.12672	5.0
194.11835	1.8
199.11154	5.4
203.10706	2.9
204.18477	1.3
206.11749	2.4
213.12599	1.3
217.35181	1.2
218.11745	3.0
227.17908	6.5
231.17056	1.6
232.94843	1.7
245.18932	12.9
255.17421	2.6
273.18417	11.8
290.21140	5.6
292.11978	1.3
302.20990	1.6
344.25757	30.6
361.28412	100.0
362.28568	2.6
379.29495	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81104	0.5
55.05454	13.6
56.17516	0.7
61.15321	0.6
66.29424	0.6
67.05430	10.4
69.06986	1.2
72.08073	100.0
73.08384	0.6
73.10417	0.6
74.87122	0.7
79.05408	2.9
81.06972	9.8
89.05956	4.2
91.05415	0.9
92.63637	0.7
93.06979	1.4
95.08523	6.8
105.07012	1.2
107.08580	0.9
114.96597	0.7
118.08604	25.5
119.08515	0.9
121.10178	0.8
123.11678	0.8
171.05138	0.8
195.12291	1.4
215.70702	0.8
224.07108	0.7
334.31067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40643	1.9
55.05449	2.5
57.07008	57.8
59.06063	19.0
60.05571	9.3
69.06974	3.8
71.08549	28.8
72.86997	1.9
79.56052	2.0
85.10091	13.0
89.05957	100.0
91.74727	2.2
96.87957	2.6
107.07009	5.4
112.59052	2.2
120.65865	2.3
133.08577	22.3
139.86301	1.9
151.09616	2.3
177.11179	4.4
181.54147	2.5
195.12282	25.8
198.93127	2.7
204.04901	2.3
363.30972	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0789
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
51.57237	3.1
53.05542	3.4
55.54348	3.6
66.35859	4.1
78.69813	5.3
104.58913	4.3
118.08616	6.3
140.97006	4.8
243.71204	4.3
339.52594	4.6
381.07867	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77097	2.3
53.98622	1.8
55.05435	3.3
55.05950	1.9
56.96504	4.7
61.02900	2.1
67.05422	3.8
69.03335	2.5
70.06505	22.5
71.04894	2.6
71.95109	2.1
72.08067	3.8
74.90497	2.2
79.05428	4.2
81.03307	2.2
81.06971	5.0
83.04919	2.8
84.04416	4.7
84.08049	12.7
85.02834	4.4
86.09638	11.9
91.05422	5.9
92.10309	3.2
93.06966	3.8
95.08517	5.7
97.02812	3.7
98.97560	2.8
106.36150	2.4
107.08519	3.9
110.07127	2.9
112.36912	2.5
116.98555	2.7
119.08547	3.5
120.08080	3.9
128.98541	3.5
134.99651	4.4
145.02786	2.9
147.04419	3.5
152.64966	2.4
177.05417	3.5
185.37590	2.4
189.00719	2.8
219.01787	3.3
237.03000	2.9
272.54544	2.5
381.11435	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26382	3.6
72.08060	9.4
72.21816	3.8
83.32987	4.9
87.20132	4.3
92.10865	5.2
121.58218	3.8
145.05132	4.5
381.25955	100.0
394.17255	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	381.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04184	9.2
55.05462	21.0
55.14354	10.9
56.84051	8.9
65.27858	9.1
67.05412	13.5
69.06981	44.1
72.08062	43.5
79.05415	21.2
81.06977	39.4
83.08489	16.1
87.98273	10.0
91.05395	14.2
92.65079	10.6
93.06967	48.2
95.08524	16.3
107.08532	24.0
109.06475	16.0
109.54219	10.3
114.37704	13.1
121.10061	11.9
123.08036	13.0
141.10172	12.4
149.13182	10.2
210.12445	11.8
267.69196	11.6
271.80026	11.0
292.91061	14.8
346.03738	11.0
363.25262	16.5
381.26306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	9.1
55.05455	21.5
57.07006	9.4
61.99502	1.2
67.05449	10.2
69.06989	61.1
71.04919	1.6
71.08566	1.3
72.08073	74.1
79.05414	11.6
81.06963	11.0
82.02018	1.2
83.08546	22.0
91.05436	11.0
91.05874	1.3
93.06977	12.0
95.04902	2.1
95.08527	6.6
97.06438	1.9
105.06971	16.7
107.04882	8.1
107.08521	7.2
109.06429	6.2
109.10114	2.8
110.61059	1.4
111.08049	2.1
117.06966	11.7
119.08530	7.7
121.06452	5.6
121.10101	2.2
123.04374	2.2
123.08006	16.0
129.06975	1.4
131.08524	9.3
133.06439	3.1
133.10092	5.9
135.08029	27.4
135.11678	2.4
137.09637	1.7
145.10114	11.0
147.08034	6.3
149.09624	9.9
151.07503	30.3
159.11674	2.9
161.09613	5.0
163.03941	1.4
163.07497	26.8
163.11142	5.7
164.07014	5.7
165.09143	9.8
175.11087	10.5
177.09155	2.4
178.08537	2.9
187.11163	1.8
191.10680	3.2
206.11736	1.7
226.59593	1.5
229.19331	2.5
247.20480	6.8
248.20752	1.4
249.18298	2.5
257.18915	3.2
275.19983	12.0
276.22989	2.2
292.22729	13.6
320.00220	1.6
346.27353	34.3
363.29980	100.0
364.30258	2.4
381.25964	38.6
381.31000	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	381.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44383	2.0
55.05439	4.3
57.07028	3.4
58.17012	1.8
59.41635	1.8
62.06538	1.9
67.05426	7.6
69.06974	8.6
70.73650	1.9
71.08564	14.4
72.04443	31.9
79.05408	3.3
81.06989	16.7
81.12388	1.9
88.91643	1.9
89.05975	2.8
91.05368	2.8
92.63756	2.3
93.06975	12.1
95.08524	15.9
99.08006	8.5
105.06973	10.9
107.08539	4.7
109.06425	4.8
109.10119	4.3
113.05966	2.1
114.09061	3.2
121.03718	2.3
121.10044	2.5
133.10097	3.1
135.11699	2.2
138.64496	1.9
153.54601	1.9
165.12727	8.9
182.15306	2.7
210.59875	2.1
238.21648	14.6
259.27304	2.2
279.57782	2.1
282.48438	2.2
287.30823	2.0
291.23087	15.2
318.27872	3.1
336.28879	100.0
337.29123	3.6
376.13321	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	381.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	8.0
57.07007	3.0
66.73048	1.2
67.05441	9.6
69.06991	11.6
71.08549	16.8
72.04433	35.3
79.05398	5.5
81.06979	19.4
83.08531	5.6
85.06471	1.5
89.05939	1.9
91.05384	2.6
92.10836	1.5
93.06967	8.1
95.04893	2.6
95.08517	13.4
97.10088	1.2
97.51879	1.2
99.08022	6.8
105.06990	5.5
107.08513	9.1
109.06471	7.3
109.10111	7.2
111.08002	1.6
114.09129	5.7
119.08537	3.3
121.10100	1.7
123.08068	1.7
123.11603	1.7
128.10706	1.9
128.41020	1.2
131.08508	1.6
133.10153	2.8
142.12201	1.8
145.10115	5.9
145.24098	1.3
147.11717	1.9
159.11629	2.3
161.13277	1.5
165.12746	11.6
168.13782	1.6
175.14758	1.3
181.89496	1.4
182.15356	2.1
238.21675	17.2
291.23059	11.5
336.28915	100.0
337.29187	5.8
381.35175	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	382.1706
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
54.63072	0.7
55.01803	1.4
57.03353	0.9
57.07009	4.9
59.04934	5.8
61.02855	0.9
67.05424	5.4
69.03343	2.2
69.06983	5.2
70.02870	6.6
72.04430	15.2
73.02824	5.0
81.09513	1.0
81.16528	0.9
85.02835	9.3
85.06458	9.4
87.08032	1.8
90.05476	100.0
95.04877	6.5
96.08053	1.0
97.02814	1.3
98.02335	17.3
100.03927	1.7
103.07520	4.7
108.25052	0.9
113.05929	2.1
116.03421	13.7
124.07543	19.8
130.06528	0.9
142.08606	8.9
160.09703	1.5
161.76170	0.9
166.08640	2.2
174.11227	1.2
184.09633	14.7
202.10718	27.9
210.39091	1.1
220.11754	82.9
334.05020	1.0
383.09317	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.8
54.81589	0.7
55.05463	5.7
57.07005	1.5
57.99964	0.6
58.76752	0.7
67.05435	10.9
68.28819	0.7
69.06987	13.4
79.05390	9.7
81.06978	100.0
82.07317	1.0
83.08522	2.9
91.05410	3.2
93.06974	17.6
95.04872	1.3
95.07964	1.3
95.08543	27.6
97.10137	1.0
105.07020	1.2
106.49883	0.7
107.08550	9.2
109.10113	8.8
119.08475	1.0
121.10104	19.4
123.11642	3.3
131.64093	0.9
135.11653	3.9
137.13199	5.6
149.13243	8.5
157.03685	0.9
162.78247	0.8
169.27628	0.7
205.19432	3.2
341.19839	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24192	0.7
54.80085	0.6
55.05439	4.5
56.04977	45.3
57.03369	3.4
57.07014	0.8
67.05429	20.8
69.06986	6.3
71.12563	0.7
74.05991	100.0
76.55607	0.8
79.05407	6.0
81.06975	18.2
83.08527	1.4
84.04414	4.7
91.05389	3.5
93.06963	4.1
95.04856	0.8
95.08542	14.5
102.05481	49.5
105.07000	1.7
107.08549	1.5
109.10090	4.1
119.08573	0.9
120.06537	73.2
121.05486	0.8
121.10098	1.4
123.11656	1.1
133.10115	0.9
137.13307	0.9
184.31288	0.8
216.12555	0.8
316.31177	0.7
331.75003	0.8
334.73276	0.8
342.27744	0.9
364.28336	1.4
382.29300	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	382.3313
Annotation	Besarhanamide A
Peak:m/z	Relative Intensity
55.05453	13.6
57.07000	1.2
57.87714	0.5
62.79934	0.6
64.33330	0.5
67.05426	5.4
69.06985	5.5
72.08070	100.0
76.37636	0.5
79.05428	1.2
81.06965	5.1
83.08530	2.9
86.09618	5.6
91.05418	0.9
93.07017	0.9
95.08536	2.4
97.10106	0.5
105.06961	1.3
107.08556	1.0
109.10129	0.7
111.11669	0.6
118.08608	25.2
121.10084	1.2
132.09875	0.6
336.32623	0.7
359.44110	0.6
382.44089	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	2.6
55.30370	2.4
57.03353	4.3
61.02842	7.4
69.03331	19.4
73.02813	3.6
74.02338	4.3
81.03329	16.6
85.02823	45.8
97.02805	19.6
99.04374	3.6
103.03863	4.9
110.07153	4.8
118.06494	6.4
120.08039	4.5
127.03866	5.3
130.06490	100.0
132.04420	24.8
132.08070	7.4
143.07187	3.3
144.08073	37.7
145.07556	26.6
146.05974	18.1
148.07596	6.9
154.06419	6.3
156.08063	5.2
157.07584	95.3
158.04767	3.8
158.05989	78.7
159.09067	7.0
161.32837	3.5
169.07552	13.7
171.09145	17.6
172.07532	21.2
174.05463	12.7
175.08638	67.8
176.07057	3.8
181.07651	6.0
182.08322	6.0
183.09117	23.4
184.07573	3.7
185.07057	17.6
199.08621	12.7
200.07077	21.7
203.08105	89.0
209.07051	13.0
215.08098	3.6
216.08908	3.8
217.09631	30.0
221.09177	31.7
227.08124	6.1
231.07770	4.5
237.10133	3.8
245.09183	18.2
263.10199	34.7
347.12247	4.4
348.10757	3.9
365.13361	24.8
383.14304	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75646	1.9
53.03873	4.6
59.93235	1.9
61.29571	1.9
61.78898	1.6
69.03340	21.8
69.06965	1.9
69.67693	1.6
71.04897	9.3
81.03333	17.8
85.02335	4.2
85.02824	81.3
87.04358	2.2
97.02819	31.7
99.04399	58.7
103.03875	97.8
109.02829	22.7
123.65665	2.0
127.03872	100.0
145.04942	32.3
151.03839	2.2
163.05997	22.3
189.74557	1.9
217.91542	2.3
311.88715	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24483	2.4
53.03883	7.1
55.71354	2.6
57.03360	4.5
65.56171	2.5
69.03353	21.7
71.04919	4.9
73.02811	4.2
74.16129	2.5
75.66972	3.0
79.10435	2.9
81.03365	26.3
85.02831	99.7
87.04398	3.3
94.32529	3.4
97.02824	36.2
99.04389	71.5
103.03883	100.0
103.18111	2.9
103.46325	3.2
109.02834	28.9
127.03879	95.7
132.51672	2.8
139.89925	2.7
145.04933	34.4
163.05954	26.6
259.95825	3.2
281.76462	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40860	5.3
56.96500	7.3
57.03367	6.3
59.65345	4.8
68.78463	6.2
69.03340	27.4
70.06506	7.7
71.04914	8.2
79.65427	5.5
80.27211	5.4
81.03339	30.6
85.02824	100.0
97.02816	39.1
99.04377	73.3
103.03867	100.0
109.02807	29.3
113.65207	5.8
127.03874	93.9
145.04962	24.2
163.05989	14.0
202.44055	6.9
298.51727	6.2
321.03107	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	383.2039
Annotation	His Ile Asn
Peak:m/z	Relative Intensity
63.75806	0.7
69.06969	1.0
81.06978	4.4
85.87449	0.9
119.11230	0.8
147.18599	0.9
179.91017	0.9
193.57884	0.9
233.99219	0.9
267.11981	1.7
301.14178	5.5
327.14206	4.4
383.20319	100.0
384.20621	3.7
395.28119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2061
Annotation	Cinncassiol A
Peak:m/z	Relative Intensity
53.03897	5.0
55.01801	4.1
55.05452	5.2
56.96500	9.6
57.03371	7.2
57.07007	18.7
60.03538	4.2
67.05428	10.0
67.17676	3.8
67.98253	4.6
69.03339	19.1
69.06968	4.1
70.06507	100.0
71.04913	7.4
72.08059	9.7
75.09489	4.0
79.05406	27.9
80.25524	5.4
81.03325	8.2
81.06981	36.9
84.04421	9.5
84.08076	40.9
85.02816	34.1
85.06461	20.3
86.09612	36.3
91.05418	39.1
93.06966	38.4
95.04903	20.4
95.08533	24.6
97.02818	6.8
98.97501	7.2
103.32529	4.3
105.01836	4.5
105.03339	64.4
105.06952	32.8
106.02879	9.0
107.04901	5.9
107.08527	44.8
109.06520	7.6
109.10110	45.1
110.07132	23.2
112.08650	5.4
116.98561	9.2
117.06956	6.9
119.04895	10.6
119.08550	37.9
120.08051	10.0
121.06487	8.1
121.10101	11.2
124.03901	9.4
125.09605	6.2
129.07051	5.0
129.10194	19.8
131.08546	11.1
134.99620	7.5
135.08018	23.1
136.07622	7.6
137.09628	7.2
142.07875	5.2
143.08560	9.4
145.10100	18.7
147.07991	6.4
147.11635	7.5
149.09581	9.2
149.81125	4.7
153.09082	29.0
155.07108	5.5
155.08417	5.4
157.10124	5.9
159.10196	8.0
159.11609	10.9
165.09056	45.3
171.11656	5.1
171.33928	4.6
177.00616	7.5
178.98900	4.4
179.07030	4.6
181.10080	5.2
183.11795	6.4
195.11642	11.5
197.13162	5.9
199.14847	4.8
213.12630	4.6
215.14333	6.7
227.17984	7.3
237.16312	9.8
239.17943	27.5
255.17326	11.5
257.19025	5.4
261.14697	10.4
265.15762	6.7
273.18243	4.6
283.16895	28.6
301.17804	25.1
311.16391	19.6
319.18997	8.0
329.17355	17.7
337.19803	6.4
347.18521	36.5
365.19324	28.5
383.20465	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39536	1.0
55.01788	1.4
55.05441	4.9
55.76923	1.0
57.03377	2.1
57.07015	20.7
59.81966	1.3
60.04448	1.5
65.03864	6.0
67.01786	6.1
67.05427	100.0
69.03337	5.3
70.06506	26.5
71.04912	18.0
72.08060	1.5
75.09408	1.0
83.04898	1.8
84.04404	1.8
84.08062	2.7
85.02828	5.4
85.06464	47.1
95.04889	33.8
96.33572	1.2
97.02802	1.6
98.05980	8.8
111.08102	1.2
112.07547	17.3
113.05951	80.9
115.08672	2.8
116.98581	2.6
120.07964	1.8
124.08696	1.6
125.07063	4.9
129.10210	5.5
130.06485	8.0
134.99635	2.8
136.06169	7.1
158.05952	1.7
167.11786	7.8
176.07053	7.2
177.10182	6.1
194.12892	3.1
195.11263	40.6
213.12074	1.3
221.11951	1.7
236.13989	1.6
238.11815	1.8
253.16566	38.8
254.14955	30.7
258.02844	1.8
271.17606	25.8
297.15521	4.8
365.21878	5.2
383.12933	7.1
383.17780	2.5
383.22751	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	26.1
57.03376	5.6
57.07022	8.6
67.05420	27.4
69.06984	20.5
70.26192	3.9
71.08558	19.8
71.40067	4.3
73.56454	4.6
75.03750	4.7
79.05412	24.6
81.06984	43.2
83.08527	5.2
87.46765	4.6
87.55685	4.5
93.06958	33.9
95.04900	7.1
95.08535	38.8
97.06457	30.9
100.30560	5.0
105.07006	8.2
107.08531	11.4
109.06478	100.0
121.10176	5.2
123.08008	8.3
123.11660	6.6
131.08554	5.7
154.76959	4.8
165.12733	75.1
199.76624	4.4
226.92352	5.2
235.16887	8.1
291.23071	93.5
307.53033	4.7
321.93307	4.9
351.48355	5.2
383.27719	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	18.0
57.03363	4.5
57.07001	2.9
67.05432	23.8
69.06986	19.4
71.02990	2.1
71.08535	15.9
78.49155	2.7
79.05400	16.9
81.06982	34.3
83.04899	4.1
83.08556	4.8
91.05415	10.2
93.06963	25.9
95.04877	11.1
95.08530	29.0
97.06440	6.0
97.10088	3.3
97.88790	2.5
99.08031	10.9
100.62064	2.9
105.06960	13.6
107.08519	16.0
109.06468	46.2
109.10109	4.3
119.08529	11.1
121.10072	3.8
123.07999	3.5
133.10109	3.8
165.12683	49.6
179.14346	2.8
221.59679	2.7
222.67188	2.5
235.16899	5.7
245.36606	2.6
291.23111	100.0
300.76846	2.6
307.52939	2.6
309.24255	9.7
326.65146	2.9
383.27853	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81966	1.7
55.05455	13.2
56.81085	1.3
57.06975	1.4
62.95931	1.4
64.33617	2.0
67.05418	21.6
69.06980	8.0
70.06506	10.3
72.08070	100.0
73.06471	1.9
73.25827	1.5
79.05420	11.6
80.15568	1.4
81.06982	17.4
91.05389	8.2
93.06971	14.4
95.08536	16.4
98.05985	2.3
105.06937	2.7
107.08530	8.2
109.10090	6.6
117.07020	1.6
119.08553	2.5
121.10069	2.6
133.10071	3.2
135.11678	1.7
168.92783	1.9
209.17166	1.8
261.10193	1.9
299.28546	1.8
304.61414	1.7
348.28909	26.5
365.31558	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	2.7
57.07010	1.3
67.05408	1.3
69.06982	6.2
69.55589	1.2
71.08543	1.6
72.08068	16.2
81.06992	2.3
82.08289	1.2
85.02814	1.3
86.09631	100.0
93.99435	1.1
95.08511	2.1
118.08620	5.3
129.06010	1.1
135.11694	1.4
171.32301	1.1
201.93430	1.2
324.32413	6.3
352.32013	2.2
379.02844	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54101	0.3
51.57200	0.3
55.05452	13.5
57.05749	0.5
57.07005	2.0
57.83205	0.3
58.18902	0.4
62.23955	0.4
64.47269	0.4
67.05445	0.5
68.65496	0.4
69.06989	0.5
71.08532	1.5
72.08071	100.0
73.08401	0.6
81.06978	0.4
95.08566	0.9
105.06975	3.0
119.08615	0.5
176.90289	0.5
190.64821	0.4
204.58591	0.4
226.33405	0.4
310.30972	3.5
338.30609	3.2
384.32562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1148
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
51.21206	0.5
55.01812	2.3
56.96504	0.9
57.03367	3.4
69.03348	2.7
70.02860	0.6
70.06516	0.9
71.01263	0.6
73.02850	1.2
75.28235	0.7
81.03349	0.7
85.02839	2.9
89.50261	0.6
90.05482	1.1
94.04002	0.8
97.02800	1.2
99.00742	1.4
104.17238	0.6
105.01849	0.6
119.03471	0.8
119.52128	0.6
121.05045	3.0
122.39867	0.6
135.06664	3.2
136.06161	35.3
137.04520	1.0
148.06169	12.7
155.05658	0.9
160.06107	2.4
162.07718	71.3
164.05608	0.8
188.05635	26.4
192.05121	35.3
206.06705	11.0
216.05177	0.7
234.06171	15.9
252.07216	100.0
253.07623	0.8
332.90106	0.6
384.11426	22.1
388.07538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1149
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
51.64950	0.6
55.01809	0.7
57.03373	4.0
59.99861	0.6
61.02874	0.6
61.59498	0.6
69.03349	1.3
70.06505	1.1
73.02832	1.2
78.51440	0.6
85.02834	3.3
87.04417	0.6
97.02836	1.4
98.97522	0.7
99.00750	1.0
107.38191	0.6
119.03518	1.0
121.05092	3.8
127.03902	0.7
135.06635	3.2
136.06161	39.8
137.04576	1.4
148.06146	13.8
160.06152	0.7
162.07721	74.6
170.57271	0.7
188.05635	26.4
192.05135	33.7
206.06679	10.6
216.05154	1.2
234.06195	14.8
252.07224	100.0
253.07408	1.0
384.11429	18.4
392.51614	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	1.1
55.01810	0.6
55.05445	2.4
56.96509	0.5
57.02901	0.5
57.03381	7.1
57.07008	0.7
61.02843	0.8
66.65614	0.5
67.05425	2.7
69.03349	1.7
69.07005	0.8
70.06506	1.0
71.01285	0.9
71.04929	0.5
71.08549	100.0
72.08883	0.4
73.02818	4.0
75.04405	0.5
81.03333	0.6
81.06982	7.0
83.08556	0.8
84.08061	0.9
85.02826	14.8
85.06486	0.5
85.59933	0.4
87.04375	0.5
87.07081	0.4
88.33878	0.4
91.05415	0.5
92.27924	0.4
94.03987	0.4
95.01259	11.8
95.08533	9.9
97.02830	1.9
98.97533	0.4
99.00780	1.9
99.08028	67.1
101.09814	0.4
103.03889	0.6
107.04893	0.5
109.02824	0.5
109.10128	3.0
113.02318	3.2
117.09072	6.2
121.06443	0.6
127.03870	0.7
131.03371	3.8
131.04913	0.7
141.01808	18.6
151.14830	2.7
159.02881	0.7
169.15923	2.6
173.11702	50.1
173.36494	0.5
187.16907	0.9
191.12758	28.6
205.18025	0.6
282.73541	0.5
328.50177	0.5
349.15085	0.8
352.80765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	2.1
57.06739	0.6
57.07011	16.6
67.05408	1.0
69.06951	0.8
71.91886	0.5
72.29227	0.5
79.05399	0.8
91.05392	3.6
93.06985	2.2
95.04795	0.5
97.06307	0.5
105.06979	12.7
107.04883	0.6
107.08515	3.3
117.06989	0.6
119.08527	20.4
121.06475	4.3
121.10091	38.8
122.10369	0.6
133.06386	1.9
133.10106	22.9
138.85046	0.5
139.51704	0.6
142.07710	0.7
144.94029	0.6
145.06430	0.7
145.10081	1.3
147.08051	2.1
147.11661	34.9
157.10083	2.6
160.08730	1.4
163.11127	2.3
163.95972	0.6
175.11157	18.1
283.16864	100.0
284.17126	2.6
339.23120	46.4
340.23499	1.3
365.88657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	0.3
53.03888	0.8
55.05454	7.8
57.07000	1.4
65.03849	0.2
67.05071	0.4
67.05422	7.0
69.01093	0.2
69.06992	6.4
70.06460	0.2
71.08541	0.4
72.04377	0.2
76.24535	0.2
79.05406	6.4
81.06977	7.3
81.66228	0.2
83.04910	0.3
83.08529	2.5
85.10137	0.2
91.05411	1.2
93.06990	1.7
95.04889	1.3
95.08533	6.2
97.06445	0.5
97.10104	1.5
103.05396	3.3
105.06975	100.0
106.07317	1.9
107.08528	1.0
109.10110	1.7
119.08537	0.5
120.08056	1.3
121.10088	0.9
122.09616	17.1
123.09950	0.4
123.11664	0.4
130.06541	0.4
133.10114	0.4
148.07556	2.2
190.12292	0.3
204.13872	0.5
218.15392	0.4
246.18298	0.4
266.75021	0.2
275.84012	0.2
384.32559	12.5
384.37720	0.5
385.32709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81210	0.7
54.96378	0.8
55.01803	0.7
55.05458	6.8
57.07022	1.8
60.29401	0.8
64.14560	0.7
65.98060	0.6
67.05424	5.4
69.06987	6.6
72.08069	2.0
73.95139	0.8
79.05400	5.9
80.09756	0.7
81.06987	7.2
83.08530	1.8
91.05397	1.4
93.06954	1.0
95.04925	0.9
95.08535	6.4
97.88730	0.8
103.05377	1.2
105.06979	100.0
106.07264	0.8
109.10102	1.8
122.09612	14.4
150.93423	0.8
204.13737	1.2
366.37234	0.9
384.32443	13.4
384.38168	4.0
385.28772	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	1.6
55.01801	1.5
56.96498	2.2
67.05437	1.2
69.03334	1.1
69.06989	1.2
70.06499	14.7
72.08078	5.5
81.03320	1.3
81.80312	1.2
84.04416	2.6
84.08060	6.6
85.02819	5.6
86.09627	5.6
91.05392	2.0
92.64503	1.2
93.06960	1.3
95.04848	1.3
97.02821	1.2
102.05521	1.4
103.05431	1.5
107.04944	1.4
110.03625	7.0
110.07124	3.0
111.04399	5.9
116.98590	1.5
120.08029	1.4
122.24226	1.3
125.05933	13.9
129.10211	2.8
131.04880	2.4
137.04695	6.9
137.05936	11.2
139.22285	1.4
145.06476	1.3
149.09595	1.2
151.03870	4.6
152.07030	52.3
160.05130	2.9
161.05968	1.7
173.05975	1.5
175.07491	6.7
177.05548	1.7
177.06969	4.6
189.05424	1.6
194.07191	9.7
201.05447	8.1
205.06403	20.3
206.08223	1.5
209.63478	1.3
219.08142	5.4
220.05168	2.9
221.05931	4.9
222.06705	31.1
223.50586	1.2
225.07225	1.4
233.05905	13.8
234.06729	8.7
235.07494	8.0
237.09045	100.0
239.07004	2.0
244.06029	5.8
247.07549	6.0
248.04582	12.5
249.05383	4.8
250.06129	18.4
251.07013	5.3
263.06992	13.4
264.07626	1.8
265.04977	8.7
265.08527	82.9
266.09219	2.9
267.06387	2.9
276.04126	26.4
280.07227	1.3
282.08804	23.6
291.06448	48.0
292.06927	2.6
293.04443	6.2
293.07913	2.3
295.09576	1.5
297.11151	38.3
307.09668	1.5
308.06577	16.2
308.09653	1.4
323.08957	14.5
325.10568	6.4
338.89355	1.5
340.11688	42.4
342.13260	1.3
351.08652	17.5
368.11154	14.3
369.09695	2.2
385.14520	6.7
385.23242	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	385.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74386	0.5
53.49329	0.6
55.01788	0.9
57.03365	1.4
61.02848	3.4
69.03365	4.8
73.02806	1.1
81.03319	4.5
85.02332	1.0
85.02827	18.2
97.02831	6.8
99.04370	0.7
105.56113	0.8
109.02811	1.0
115.05389	1.1
117.05720	1.4
118.06490	81.2
127.03882	3.1
130.06490	56.8
131.07245	3.6
132.08055	20.4
133.46523	0.6
141.84471	0.7
142.06508	4.3
143.07268	4.2
144.08058	16.4
145.04924	0.7
146.05988	50.5
154.16925	0.7
156.08099	1.1
160.07542	63.1
161.07887	0.6
170.05966	31.9
172.07513	1.3
184.07536	1.5
188.07022	60.8
189.07280	0.7
192.01633	0.6
206.08090	100.0
207.08514	1.2
248.09129	0.8
258.59174	0.7
267.64429	0.6
314.16238	0.6
321.68628	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73149	0.1
53.65878	0.1
54.03786	0.1
54.73508	0.1
54.81387	0.1
58.06534	5.8
59.07315	5.6
64.23701	0.1
67.03747	0.1
70.06515	0.1
87.58791	0.1
88.02151	1.3
104.20126	0.1
118.08603	100.0
119.08954	1.1
122.07106	0.7
123.07420	0.2
124.07531	0.1
134.02663	0.9
136.06154	2.4
146.04414	0.1
156.04175	0.3
168.69965	0.1
224.79826	0.1
263.19943	0.1
385.08066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14866	0.1
54.42783	0.1
58.06535	5.5
59.07315	5.7
65.37063	0.1
69.03372	0.1
70.06503	0.7
88.02145	0.1
89.05585	0.1
91.01830	0.1
118.08605	100.0
119.08957	1.1
130.13863	0.1
136.06151	0.5
286.43069	0.2
328.99500	0.1
346.42096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61074	0.5
52.95099	0.6
54.81958	0.6
55.01802	1.1
55.05451	0.6
57.07005	5.1
59.04931	4.4
60.04453	0.9
67.05416	5.8
69.03347	1.0
69.06992	5.3
70.02858	4.1
70.06496	3.6
72.04427	14.5
73.02825	4.4
74.02340	0.9
76.56455	0.9
78.81590	0.7
83.04892	1.2
84.04418	1.3
84.08070	1.1
85.02848	1.2
85.06461	13.7
86.09620	2.8
87.08029	1.6
88.02142	0.8
89.00516	0.8
89.87076	0.7
90.05479	100.0
95.04899	8.0
96.08057	0.8
97.02827	0.8
98.02345	13.4
100.03922	1.3
103.05383	2.7
103.07507	8.3
112.07554	0.7
113.05939	1.7
114.09068	0.7
116.03405	18.4
118.08615	2.8
120.08057	43.6
121.08391	6.5
124.07557	17.3
131.04904	0.8
131.07021	1.7
132.10185	0.9
136.06161	2.8
142.08598	7.1
160.09697	3.0
161.99959	0.7
166.08562	8.7
169.19647	0.7
174.11241	1.6
176.01529	0.7
184.09654	16.2
199.99161	0.6
202.10719	26.7
220.11758	89.9
221.12018	0.9
303.07959	0.8
408.48752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50417	0.8
54.81827	1.0
55.05443	1.6
55.79643	0.7
56.04960	4.3
57.07008	13.6
63.40601	0.8
67.05426	5.2
67.71672	0.8
69.06983	3.9
71.08539	7.6
77.76824	1.0
81.06969	5.9
81.47143	0.9
83.06023	27.5
83.08541	1.0
84.04428	100.0
85.02820	1.1
85.10075	4.3
86.05974	3.4
92.66948	0.8
93.86810	0.8
95.08513	6.8
101.07082	8.0
102.05482	2.0
105.03680	1.0
107.08527	1.3
109.10132	1.7
110.63689	0.8
114.05482	1.0
114.15318	0.8
118.59933	0.9
126.28830	0.8
129.06552	23.4
130.04967	90.0
147.07619	18.1
239.23648	1.7
256.26245	8.0
267.09277	0.9
287.09094	0.9
298.18378	1.0
323.01187	0.9
385.29443	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	385.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03373	2.5
61.95996	2.6
65.54659	2.8
67.05444	3.6
69.06978	2.9
79.05413	12.7
81.06974	20.0
83.04875	4.5
83.55710	2.5
93.06971	5.6
95.08565	5.4
95.94989	2.6
97.06458	89.3
105.06961	3.5
107.08521	12.3
107.66640	2.6
108.29498	3.2
109.06471	100.0
109.10088	5.3
121.10123	3.2
123.08011	5.9
133.08696	2.8
133.10062	5.4
147.11729	3.6
152.50481	3.3
242.57181	2.9
350.01486	3.2
385.31061	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74269	0.6
53.03880	1.1
54.81465	1.0
55.01804	0.7
55.05451	25.0
57.03365	0.8
57.06768	1.0
57.07013	15.9
58.24183	0.7
67.05425	4.8
67.14296	0.6
69.06981	1.2
71.99879	0.6
79.05409	4.8
81.06559	0.7
81.06944	5.6
83.04901	100.0
83.08533	1.1
91.05379	5.5
93.06982	5.5
95.04899	1.2
95.08545	4.3
95.96301	0.7
105.06985	3.7
107.08525	4.7
109.10094	3.1
119.08524	3.9
121.10078	1.5
125.09511	0.7
128.06161	1.2
129.06984	3.1
131.08546	1.7
133.58418	0.9
135.11584	1.2
137.05959	1.0
143.83139	0.7
147.08029	1.0
147.11668	6.8
157.53827	0.9
175.01535	11.4
180.53857	0.8
227.04665	5.1
257.05582	8.9
292.89511	0.9
299.58536	0.8
313.11938	40.9
369.18231	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08845	3.4
55.05453	29.0
57.03366	3.9
57.07007	7.1
58.99004	3.3
60.06595	3.3
67.05421	56.8
69.06978	21.1
73.33442	3.9
78.43701	4.1
79.05403	97.0
81.06979	46.3
83.08513	5.5
91.05390	81.3
91.05862	5.1
93.06966	100.0
95.04900	9.2
95.08533	43.2
97.06475	5.2
99.04342	3.7
105.06961	87.1
107.08515	39.2
109.10102	15.7
117.06959	25.3
119.08527	65.3
120.08835	4.7
121.10081	29.4
123.08079	5.6
129.06975	6.1
131.08551	24.5
133.10101	60.5
135.11647	25.1
140.75267	4.1
143.08519	5.5
145.10089	20.5
147.11681	42.6
148.11955	5.1
149.13237	8.8
156.62082	3.7
157.10074	6.9
159.11670	16.6
161.13202	18.0
163.11214	4.4
171.11682	5.8
172.44379	4.7
175.14626	4.2
177.92192	4.1
241.19528	17.0
259.20526	68.8
265.76215	4.2
351.25131	33.6
363.78455	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	386.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81519	3.3
54.98346	3.7
55.05447	24.2
56.65139	3.4
57.07005	3.3
67.05431	47.9
67.43976	2.9
68.05701	3.1
69.06984	23.7
70.06515	6.3
71.04913	4.1
75.31739	2.9
79.05401	77.1
79.27123	3.1
81.06973	42.2
83.08565	3.5
85.06471	4.2
91.05406	78.1
93.06976	100.0
93.07528	6.7
95.04910	5.4
95.08525	35.0
101.60648	4.1
105.06960	66.1
106.07274	3.6
107.08533	39.4
109.10136	19.2
112.62648	3.3
117.06966	8.7
119.08521	58.9
121.10115	24.6
121.65647	4.0
123.11725	5.0
129.06903	5.6
130.09261	4.2
131.08511	26.8
133.10092	46.0
135.11678	19.8
143.08557	7.9
145.10057	7.9
147.11661	34.0
149.13225	4.7
156.10738	3.1
159.11697	20.3
161.13194	25.8
171.11638	8.8
173.13278	5.4
175.14835	6.0
185.13255	6.5
199.14786	5.1
237.38570	3.3
241.19469	17.1
259.20538	62.9
325.44543	4.4
351.25302	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	2.2
55.01812	2.1
55.05452	37.2
57.03374	42.9
57.07010	3.9
57.26076	2.1
58.64213	2.1
62.15595	2.1
65.03860	3.8
67.05077	3.0
67.05434	84.2
69.06994	24.7
79.05414	83.6
81.06980	88.9
83.08537	12.1
84.56257	2.7
85.06451	5.1
91.05410	80.2
91.46620	2.4
93.06979	100.0
95.04913	11.3
95.08537	62.1
97.06458	5.5
97.10114	3.1
105.06975	81.9
107.08546	71.9
109.06476	3.7
109.10105	21.7
117.06959	20.8
119.08546	55.0
121.06429	2.4
121.10114	43.3
122.82669	2.4
123.08061	3.5
123.11649	3.1
129.06984	11.5
131.08553	37.6
133.10104	46.6
135.11685	24.5
143.08543	12.7
145.10112	33.1
145.96555	2.2
147.11694	27.8
149.13237	24.3
157.10083	5.4
159.11633	22.2
161.13292	18.4
171.11694	14.6
173.13239	10.0
175.14842	4.8
177.12758	4.3
179.36185	2.8
185.13211	5.1
187.14833	15.7
201.16273	3.1
213.16444	2.6
241.19542	14.3
259.20517	35.9
277.21658	12.4
294.89883	3.1
351.25275	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	2.5
56.04966	2.9
56.12982	1.4
57.07010	15.4
64.55249	1.3
67.05424	7.8
69.06982	2.1
71.08546	8.5
81.06980	7.5
84.04428	100.0
85.02861	1.8
85.10159	2.4
91.05405	2.5
92.11016	2.5
93.24392	1.5
95.08537	7.8
100.28621	1.5
102.05474	23.1
105.60334	1.5
109.10109	5.6
116.87561	1.4
130.04961	53.0
148.06021	33.5
158.81735	1.5
184.17918	1.6
256.48807	1.6
386.29626	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05420	1.6
59.05528	1.8
63.77076	1.5
71.08524	1.6
76.60578	1.5
77.00666	1.7
102.80026	2.0
126.67435	1.8
198.80576	1.9
207.80162	2.0
386.30261	100.0
387.30624	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	386.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27703	0.9
55.05453	4.8
57.07000	1.9
60.34509	0.9
67.05428	1.5
68.98650	0.7
69.06983	5.1
71.92983	0.8
79.05399	5.0
81.06957	1.4
83.08541	1.9
87.62439	0.9
92.10314	1.8
93.06978	3.5
94.37359	1.0
95.04884	0.9
95.08521	1.1
97.10084	1.2
103.05420	3.5
105.06976	100.0
115.15291	1.0
122.09624	11.1
141.94252	0.9
194.79483	0.9
257.35013	1.0
268.76218	0.9
345.13235	1.1
386.34149	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	387.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01811	2.5
56.96502	2.6
57.03378	10.5
60.08093	3.6
61.01079	92.4
69.03333	15.8
70.06490	4.9
71.04887	2.3
72.08087	3.1
72.37519	2.3
73.01050	13.3
75.02621	10.6
77.42972	2.1
85.02827	11.3
89.00534	17.1
89.99926	2.3
91.02092	11.9
91.05386	2.5
97.02229	4.7
97.02822	100.0
103.02108	6.2
103.03887	26.3
107.04867	3.6
113.00569	3.3
117.03647	4.8
119.01578	10.8
119.04967	2.9
120.04427	16.6
131.01614	10.9
136.07504	4.0
137.04570	22.2
149.02638	5.7
160.11143	3.6
162.05486	10.2
165.05522	2.7
177.67870	2.5
178.12314	3.3
179.84547	2.5
251.05743	26.1
335.70108	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35824	0.4
58.06519	2.1
60.08095	46.2
62.59978	0.5
70.06516	3.6
76.50366	0.5
84.04429	0.7
84.08086	0.5
85.02798	0.8
91.05403	12.9
93.06947	4.2
95.04917	3.8
103.05379	3.1
107.04897	34.8
116.04941	0.5
119.04903	21.0
121.06455	28.1
122.05967	1.1
123.04378	8.4
130.78873	0.4
133.09581	0.5
134.05969	3.3
136.07558	20.7
144.04417	6.9
145.06433	1.0
146.06009	2.2
147.04396	12.0
148.07541	11.3
162.05469	100.0
163.05884	0.6
165.05447	1.1
176.07034	2.8
178.50896	0.6
180.01024	0.7
180.06535	0.7
190.04987	0.8
194.08134	0.6
208.05974	8.0
219.07979	0.8
222.07562	11.0
231.82785	0.5
237.09048	3.0
240.10190	0.9
254.11696	3.0
286.10712	2.9
300.12213	3.7
328.11658	4.8
387.19070	43.0
388.19077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37713	1.1
52.85136	1.2
53.03897	2.6
54.08611	1.2
54.81695	1.3
55.05449	7.7
55.35924	1.5
57.07008	24.5
58.65403	1.3
61.68595	1.4
62.58473	1.3
67.05428	5.4
69.07014	1.9
71.04907	16.4
72.08076	2.0
72.08825	1.5
79.05402	1.8
81.06962	1.7
83.04885	23.6
91.05395	6.0
92.10377	1.7
93.06955	6.1
95.04903	7.1
95.08525	2.9
101.05972	9.0
105.06985	7.1
107.08524	2.0
108.87697	1.2
113.96371	1.3
117.06908	1.6
118.04623	1.6
119.08553	1.5
121.10138	1.8
129.06946	3.2
129.60127	1.5
131.08566	1.6
132.34192	1.5
133.10085	2.3
147.11655	7.3
159.11713	1.8
175.01518	100.0
184.65054	1.5
193.02516	3.1
208.02144	1.7
227.04599	3.3
231.07742	6.1
275.06726	8.6
293.04648	1.6
331.12961	52.3
332.52405	1.6
352.32077	3.2
387.19330	16.6
387.23889	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2002
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03898	6.1
55.05429	8.1
56.96497	9.2
57.03372	7.1
67.05415	16.2
69.03334	36.3
69.06973	10.3
70.06507	86.5
72.08054	10.6
79.05406	6.8
81.06975	14.6
83.04888	11.5
84.04425	29.9
84.08060	17.1
85.02831	13.9
86.09634	16.9
89.31672	8.5
91.05417	10.4
93.06940	12.4
95.04877	13.3
95.08533	12.1
97.02811	9.1
98.45610	6.3
105.06978	27.0
106.02850	9.2
107.08492	15.6
109.06466	12.3
109.10081	8.2
119.04921	6.7
119.08539	29.3
121.10077	31.9
123.04404	8.5
123.08025	9.6
124.03890	27.9
133.10101	31.3
135.11661	7.3
137.09596	29.9
147.04393	10.5
147.11615	13.9
149.09599	14.8
155.11902	6.8
157.01575	6.4
163.11122	13.7
175.03854	7.3
189.12772	16.0
196.74283	6.0
204.35603	6.2
207.13773	35.0
212.54552	6.2
225.14859	11.4
237.03044	8.2
266.40717	7.5
315.46078	7.0
387.19815	100.0
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
53.00239	0.3
53.03880	0.3
55.01810	1.2
55.05449	4.3
57.03366	0.6
57.07009	4.1
57.72000	0.2
59.04927	1.3
61.02858	0.4
61.55253	0.2
65.03871	0.4
67.05428	23.1
69.03355	3.0
69.06989	1.7
70.06501	1.7
71.04900	1.3
72.08073	0.6
79.05412	2.5
81.03334	1.4
81.06972	3.8
83.04898	2.1
83.08529	0.4
84.04416	0.4
84.08087	0.3
85.02827	4.9
85.05982	0.5
85.06470	9.7
86.09634	1.2
91.05392	3.6
92.78455	0.3
93.06982	7.9
95.04911	3.3
95.08535	100.0
96.08878	1.6
97.02811	1.3
97.06463	1.2
99.04352	0.3
105.03340	0.5
105.06973	6.4
107.04903	0.3
107.08534	9.1
109.02825	0.4
109.06458	3.0
109.10129	2.0
111.07984	0.5
113.05970	5.4
113.45206	0.3
117.06960	0.3
119.04871	0.6
119.08534	15.5
120.08085	0.6
121.06456	2.2
121.08369	0.4
121.10099	6.5
121.10924	0.4
123.08022	25.4
123.11636	2.5
125.05908	0.3
127.03893	0.7
131.08519	2.2
133.06511	0.5
133.10123	2.5
135.07996	0.4
135.11667	9.4
137.09586	2.7
137.13240	0.4
139.07460	0.3
141.09056	0.4
145.10095	0.7
147.04448	0.4
147.08041	1.6
147.11667	5.3
149.09599	21.6
150.09955	0.4
151.07495	2.2
151.14815	1.7
156.09325	0.6
159.08002	0.4
161.13220	7.4
163.03923	0.3
163.11150	3.0
165.09140	0.5
165.12715	4.2
171.11676	1.3
174.10408	1.5
175.04053	0.3
179.14264	1.6
189.12720	8.0
190.13100	0.3
207.06566	0.4
207.13774	24.7
208.14224	0.4
225.14806	0.3
246.44823	0.3
362.27209	0.3
387.15991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2013
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
53.03877	0.5
55.01805	0.9
55.05454	4.1
56.96494	0.2
57.03371	0.5
57.07013	4.2
59.04928	1.4
60.49240	0.2
61.02831	0.4
65.03859	0.6
67.05428	22.6
69.03345	3.7
69.06995	2.1
70.06499	1.3
71.04906	1.2
72.08074	0.5
73.02824	0.2
77.90424	0.2
79.05412	2.3
81.03332	0.9
81.06976	3.7
83.04894	1.7
83.08526	0.4
84.04432	0.3
84.08061	0.5
85.02824	4.0
85.05977	0.5
85.06467	10.6
86.09635	0.5
86.80402	0.2
91.05402	2.9
92.10341	0.2
93.06973	8.8
95.04905	3.1
95.08533	100.0
96.08874	1.3
97.02821	1.5
97.06448	0.9
99.04411	0.3
103.05385	0.3
105.03362	0.4
105.06983	5.9
107.04926	0.3
107.08537	9.2
108.05692	0.3
109.02808	0.3
109.06470	2.5
109.10133	2.1
110.07104	0.4
111.04397	0.3
111.08051	1.1
113.05950	5.3
117.07006	0.3
119.04893	0.4
119.08533	15.2
120.08054	0.5
121.06470	1.7
121.10097	6.8
123.08021	26.9
123.11636	2.8
124.08315	0.3
125.09600	0.5
131.08516	2.2
133.06456	0.5
133.10109	3.0
135.07991	0.9
135.11667	10.6
137.07364	0.3
137.09576	2.6
137.13225	1.1
139.07509	0.5
139.20395	0.3
141.09074	0.5
145.10094	0.4
147.08025	2.0
147.11664	4.8
149.09596	23.7
151.07555	1.5
151.14781	1.7
153.09024	0.3
156.09369	1.0
159.08011	0.4
160.08846	0.4
161.09573	0.4
161.13228	7.7
163.11137	3.3
165.09059	0.5
165.12704	5.6
171.11710	0.9
174.10422	1.4
179.14322	2.1
189.12706	9.4
207.06570	0.3
207.13771	29.9
208.14087	0.5
225.14917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	2.4
53.03882	5.0
55.01810	4.8
55.05452	37.3
57.03372	29.7
57.07001	5.6
63.72812	1.1
65.03867	1.7
65.94076	1.1
67.05428	83.1
69.03350	2.5
69.06646	1.8
69.06986	31.2
71.04903	29.9
79.05408	87.0
81.06974	99.7
83.04890	6.1
83.08541	16.1
85.06469	7.8
89.05946	1.3
91.05405	60.6
93.06969	100.0
95.04894	12.3
95.08531	75.4
97.06455	11.4
97.10099	7.5
98.97519	1.4
99.08042	6.9
105.04494	1.7
105.06974	52.7
107.08533	63.0
109.06472	8.1
109.10098	23.9
111.08012	9.4
113.09618	1.8
115.05425	1.3
117.06971	17.0
119.08524	43.4
121.06390	1.9
121.10091	40.5
123.08012	7.1
123.11655	5.6
125.09589	2.6
129.06960	6.3
131.08533	26.4
133.08536	1.2
133.10094	28.7
135.08031	1.6
135.11633	25.3
137.09595	6.6
139.11177	1.6
140.43787	1.1
142.16272	1.1
143.08542	4.9
145.10103	20.3
147.11658	20.4
149.09573	1.6
149.13225	12.9
151.11241	1.5
151.49323	1.1
157.10112	6.2
159.11627	14.5
161.13245	11.2
163.11156	2.0
163.14877	2.3
165.12709	1.8
171.11664	2.9
173.13228	15.6
175.14738	2.8
177.12761	1.2
185.13245	6.8
187.14737	11.0
189.12767	1.8
189.16360	1.7
191.14282	6.8
195.13770	1.2
199.14841	1.9
201.16287	2.1
205.15900	4.7
207.17462	4.7
221.18890	1.7
241.19452	5.9
259.20422	15.7
262.83212	1.4
277.21552	24.6
277.24301	1.6
283.18924	2.4
298.21286	1.4
333.16016	1.2
351.25272	19.0
369.26242	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	387.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38912	2.0
55.05439	14.8
57.07001	5.8
57.68273	3.0
57.75053	2.8
67.05428	38.1
69.06995	28.8
79.05419	19.5
81.06503	4.0
81.06973	100.0
83.01264	38.5
83.08531	9.5
85.02811	10.2
91.05413	17.3
93.06969	45.4
95.07959	4.8
95.08533	93.5
97.10136	4.1
101.02352	3.0
105.06966	16.0
107.08537	46.4
109.06470	4.2
109.10105	64.6
113.02292	18.7
114.37073	2.5
115.06085	2.3
119.08513	14.1
121.06449	11.1
121.10104	34.1
123.08015	3.8
123.11650	23.9
125.05919	2.9
127.03871	26.2
131.08522	10.3
132.08073	3.9
133.06371	2.5
133.10103	11.0
135.11681	23.8
137.05942	6.1
137.09587	3.1
137.13234	17.8
145.10121	3.3
147.11661	6.0
149.09561	10.0
149.13220	18.9
161.13319	2.8
163.14665	3.5
165.09032	10.8
177.09045	16.6
177.16365	2.7
183.10204	10.0
189.09012	2.5
191.17949	2.9
195.10072	9.8
209.11632	4.4
214.55528	2.3
233.15315	3.2
234.98659	2.7
235.13278	3.9
237.14746	3.5
251.16357	3.9
305.21030	3.3
310.07748	2.6
368.31393	2.9
387.28680	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	387.3254
Annotation	11Z,14Z,17Z,20Z,23Z-hexacosapentaenoic acid
Peak:m/z	Relative Intensity
53.11139	4.1
54.63940	4.8
54.81768	4.4
55.05452	10.0
57.07007	26.0
58.54098	4.3
63.55666	4.5
67.05433	22.2
69.06988	28.7
71.08544	23.6
71.18603	5.6
73.59211	4.5
79.05417	24.9
81.06976	68.3
83.08545	20.9
85.10120	9.8
93.06979	39.6
95.08556	51.3
97.10110	11.0
107.08542	47.1
109.10120	26.8
111.13181	4.8
121.10091	39.9
133.10083	9.0
135.11671	82.2
137.31163	4.8
149.13232	9.8
163.14799	27.9
163.17787	5.4
261.25674	43.4
306.26785	6.6
387.32434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	0.5
57.03364	1.0
59.57636	0.5
60.04455	0.7
63.28257	0.5
65.03848	1.3
66.33723	0.4
69.03349	1.0
70.06513	5.8
72.08061	2.8
73.02834	2.0
74.05966	0.6
77.28693	0.5
84.04410	3.3
84.08044	3.0
85.02828	6.8
86.09613	2.6
88.03886	0.7
89.03785	0.5
92.04932	9.1
95.01241	3.4
97.02853	0.9
101.02322	0.6
113.02281	0.9
116.98563	0.6
120.04417	100.0
121.04740	1.0
121.10040	0.5
130.06470	0.7
131.03345	0.9
132.04411	1.1
134.05983	2.8
141.01811	5.1
141.52718	0.7
142.79143	0.5
145.02887	0.8
146.06041	0.5
146.45322	0.5
148.03992	0.5
150.05537	0.5
157.80562	0.5
159.09123	0.6
167.06984	0.9
170.05992	0.9
177.05321	2.1
192.75899	0.6
194.08136	6.9
198.05495	1.3
212.09129	5.7
391.27835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48820	0.6
53.03895	5.8
53.75955	0.6
55.01809	9.1
55.05455	1.1
57.03378	8.0
61.02853	7.2
61.29135	0.6
67.05445	0.9
68.99705	3.3
69.03346	41.5
70.06486	1.2
71.01282	0.8
71.04908	6.9
73.02827	8.3
79.05401	1.1
81.03336	29.7
81.06994	1.3
85.02824	100.0
86.09642	0.8
86.68845	0.7
87.00752	48.7
89.30227	0.8
91.03888	2.8
92.10220	1.0
93.06980	0.8
95.04913	1.2
97.02820	31.0
99.04387	14.9
101.02320	1.0
105.01808	42.4
105.06966	15.0
108.04401	1.4
109.02824	28.8
115.03834	0.9
117.01833	3.2
126.05540	0.9
127.03873	53.5
129.01813	4.5
133.10083	1.7
137.09616	1.2
145.04930	19.5
147.02844	1.3
159.02847	13.3
171.34610	0.7
189.04066	1.0
193.98973	0.7
213.03940	1.6
231.04938	14.7
249.05995	7.1
264.71533	1.0
350.25119	0.7
388.15738	3.0
401.55441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	18.0
57.03357	6.0
57.07013	6.6
62.16036	5.0
67.05422	89.8
79.05405	77.0
81.06973	91.6
91.05383	44.9
93.06969	100.0
93.72641	4.6
95.04851	7.8
95.08531	81.4
97.06474	4.4
99.08005	5.1
105.06970	21.1
107.08534	49.2
109.10075	18.4
117.06911	5.6
119.08521	18.9
121.10133	37.6
131.08521	30.0
133.10091	5.7
135.11664	20.4
144.90729	4.9
145.10085	22.7
147.11653	5.9
149.13214	10.4
159.11638	8.3
161.13235	5.9
163.14740	11.2
173.13248	10.6
177.16464	6.0
243.20998	29.2
261.22064	58.3
326.34784	5.3
353.26834	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	388.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24565	2.0
52.99755	1.6
53.03887	3.3
53.84530	1.7
55.01818	2.1
55.05449	25.6
57.03368	11.8
57.06998	10.0
61.02560	3.3
61.02855	59.0
61.84100	1.9
62.65847	1.9
66.43832	1.7
67.05077	3.3
67.05428	100.0
69.03339	13.4
69.06989	20.1
71.08533	2.4
73.02849	21.4
79.05412	71.7
81.03307	3.0
81.06979	93.5
81.49176	1.9
82.07320	3.7
83.08521	10.3
85.02829	38.4
85.06450	3.2
91.03876	25.0
91.05412	35.6
92.05685	2.3
93.06976	93.0
95.04910	4.8
95.08533	74.1
95.86775	2.4
97.02831	29.6
97.10101	3.9
99.08044	3.3
102.96915	2.6
105.06982	28.0
107.08539	46.7
109.10113	19.1
113.09600	2.6
115.03838	2.3
116.98432	4.9
117.06950	13.2
119.08540	15.2
121.10094	32.1
123.08032	2.5
123.11617	8.3
127.03826	3.2
130.99979	10.5
131.08528	31.5
133.10095	15.3
135.11638	22.6
137.13205	3.9
140.98409	4.7
142.99980	4.4
145.10120	17.7
147.11649	9.0
148.97388	3.0
149.13216	16.8
149.67572	2.2
149.94571	2.8
155.00011	3.9
157.01558	7.3
159.11668	10.4
160.97467	3.4
161.13211	9.5
161.98233	2.5
163.14775	12.8
166.98489	8.2
169.01558	3.6
173.13168	9.8
174.98975	4.0
176.96878	13.4
177.16322	2.2
178.98430	4.5
181.05223	2.4
187.14749	5.1
189.00510	8.8
190.98276	2.8
191.03554	2.7
201.00543	2.7
201.16212	2.5
203.02121	5.0
208.99524	2.8
215.02019	3.2
235.00644	2.3
236.99139	2.3
243.01532	2.4
243.21031	21.9
261.22092	53.8
311.02679	3.5
353.26935	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	388.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00253	1.5
54.82148	1.3
55.05452	15.1
57.03380	2.0
57.07011	5.7
67.05425	17.7
69.03346	1.8
69.06991	14.9
71.04902	1.6
71.08548	33.1
75.40197	1.3
76.56882	1.7
79.05392	10.4
80.50223	1.2
81.06975	34.5
83.04906	1.5
83.08534	3.6
85.06464	2.4
91.05409	5.9
93.06966	21.2
95.04877	2.7
95.08528	23.8
97.06419	3.4
97.10111	1.9
99.08029	18.5
105.06956	8.6
107.08522	15.6
109.06473	10.2
109.10118	11.8
119.08512	8.6
121.10094	9.8
123.08025	3.3
123.11656	2.7
131.08525	2.7
133.10097	2.5
135.11658	3.0
149.13240	5.9
153.12694	2.9
161.13203	2.3
163.14737	2.1
165.12726	16.7
193.15828	8.7
235.16928	3.1
291.23129	42.4
309.24182	68.5
353.26801	100.0
354.27103	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	388.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07006	15.2
57.65845	1.9
62.98999	3.0
67.05418	4.1
71.08546	14.4
77.00548	3.9
78.81409	2.2
82.04958	2.2
85.10102	4.9
92.11032	3.7
95.08540	3.2
105.03675	68.7
109.10023	2.3
111.94565	2.4
122.06307	12.5
318.78149	2.4
324.32571	100.0
388.32214	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	388.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	0.8
57.07014	8.6
71.08530	3.8
79.05386	3.7
79.05799	0.6
81.06954	0.9
85.10085	1.4
92.10234	1.2
95.04881	1.0
95.08514	1.4
103.05380	2.8
105.06976	100.0
106.07318	1.2
122.09623	13.3
164.55566	0.8
222.17439	0.6
253.22766	0.7
388.35666	27.3
389.36044	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07002	0.2
55.94473	0.3
56.55405	0.3
56.96497	0.6
57.03364	0.5
60.61213	0.3
65.03857	1.5
70.06493	1.5
71.01266	0.3
72.08051	0.7
73.02822	0.4
75.83904	0.3
84.04443	0.5
85.02814	3.4
90.94785	0.3
91.05403	0.4
95.01238	3.4
95.04881	0.4
97.02841	0.7
104.91573	0.3
105.83958	0.3
111.04382	1.9
113.02309	0.6
116.07034	0.4
116.98569	0.3
121.02818	100.0
122.03164	1.7
131.03389	0.5
139.03874	0.6
141.01808	4.0
164.28186	0.3
167.59964	0.3
170.58243	0.4
195.06438	2.6
213.07550	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	389.1226
Annotation	(8S,8'S)-(+)-8-Hydroxy-oxomatairesinol
Peak:m/z	Relative Intensity
51.12024	0.6
53.03875	0.9
53.72049	0.6
55.01797	3.1
65.03852	1.6
65.15121	0.6
67.05424	4.3
71.01272	6.7
74.12543	0.8
79.05392	6.7
81.06976	1.1
84.59232	0.7
85.02789	0.7
91.05401	10.5
93.03349	1.5
93.06947	1.4
95.04891	16.3
95.08572	0.8
102.37510	0.8
103.05389	7.6
107.04889	9.4
108.02016	1.1
109.02835	1.3
109.06451	0.9
110.03635	0.7
111.04396	4.7
115.05397	1.4
117.03290	1.0
118.04118	4.6
119.04895	3.9
121.06429	3.9
123.04388	9.7
124.05196	0.8
125.05958	7.2
126.79032	0.7
131.04887	3.4
133.02798	2.9
135.04379	12.5
137.05933	5.0
137.09549	0.8
141.05426	3.1
145.02754	0.9
146.03621	4.8
147.04408	10.0
149.05957	5.9
150.06750	10.8
151.03888	100.0
151.04967	7.0
153.05428	9.7
161.05977	5.3
163.03894	7.1
164.04698	0.9
165.05440	3.2
166.06175	1.3
167.07002	3.8
173.05940	1.5
177.05429	9.4
178.06207	39.2
190.67427	0.7
193.04930	7.1
194.05719	1.2
195.06488	4.5
196.07254	15.2
219.06490	4.8
237.07608	1.2
325.10468	0.9
364.81351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69805	0.9
53.03885	1.2
55.01820	8.5
55.02039	0.8
55.05457	1.0
56.96493	1.4
57.03366	1.5
57.07000	1.1
61.02863	2.1
65.03874	2.3
67.05406	1.8
67.98677	1.0
69.03343	8.1
69.06989	2.3
70.06503	10.2
72.08061	2.5
72.28110	0.9
73.02825	35.0
73.18199	1.0
81.03314	3.8
82.04152	1.6
83.04890	1.2
83.06006	1.1
84.04450	4.1
84.08057	7.3
85.02823	17.8
86.09626	18.9
91.03852	1.8
91.05419	5.3
93.06976	1.3
95.04889	6.3
96.04415	1.0
97.02821	5.4
98.97506	1.4
103.05390	1.3
103.98358	1.0
105.03339	11.1
105.06992	1.5
107.04886	1.3
107.08539	1.6
109.02834	1.4
110.07152	1.3
111.04370	1.4
116.98546	2.5
120.04430	17.0
121.02824	1.1
121.04772	6.1
123.04400	9.3
127.03908	1.3
129.10191	1.7
131.08543	1.5
134.99612	1.1
135.95758	1.1
140.04655	53.2
142.02579	1.5
146.54546	1.1
147.04419	1.7
149.06122	1.0
155.07007	44.8
162.42204	1.2
163.22095	0.9
171.06458	8.3
173.08090	4.8
179.07011	4.9
181.04918	100.0
205.00099	1.2
207.39845	1.0
209.08057	13.5
213.41293	1.0
227.09090	63.7
228.09422	1.1
243.90021	1.2
268.68948	1.1
358.89447	1.1
389.13580	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2163
Annotation	Debiloside B
Peak:m/z	Relative Intensity
55.01803	7.4
55.05446	18.7
55.12912	4.5
57.03354	6.9
67.05418	29.3
69.03349	46.4
69.06982	29.9
70.06499	8.9
71.04897	27.7
72.08084	5.9
79.05402	46.7
81.03345	6.2
81.06983	46.5
83.04900	27.6
83.08530	21.7
85.02814	26.0
85.06447	6.0
86.09629	10.4
91.05386	27.8
93.06985	43.1
95.04881	22.4
95.08515	37.3
97.02828	4.4
97.06467	8.8
97.10067	9.1
105.06951	28.8
107.04919	4.7
107.08544	90.7
109.06453	19.7
109.10102	33.3
111.08010	10.8
115.07501	7.9
119.08534	17.5
121.06454	19.9
121.10049	38.1
123.08015	5.6
123.11678	9.4
124.03947	5.6
125.05962	7.8
125.09576	20.6
131.08577	7.6
133.10089	21.7
134.99593	4.9
135.08017	20.8
135.11627	8.5
137.09566	8.4
145.10114	6.6
147.11722	8.6
149.09566	10.0
149.13205	7.8
151.03897	23.5
151.11160	24.3
153.05397	6.2
153.09035	7.0
163.14777	10.7
165.12704	7.1
173.13223	23.2
177.05455	7.4
178.06268	4.5
191.14259	40.8
209.15309	25.4
227.16362	100.0
247.59755	4.6
301.06247	6.2
335.57166	4.9
389.21558	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00255	2.5
53.03914	0.7
55.01815	1.2
55.05454	25.3
57.03371	10.0
57.06767	1.0
57.07017	16.6
58.64259	0.5
65.03870	1.4
67.05431	85.1
69.03334	1.1
69.06989	24.9
71.04906	4.4
71.08550	29.5
79.05412	33.4
81.06979	100.0
83.04919	6.1
83.08540	14.2
85.06460	3.5
85.10112	21.4
86.68674	0.6
90.13609	0.7
91.05405	25.2
93.06976	41.4
94.85750	0.7
95.04890	3.3
95.08534	73.7
97.06467	7.1
97.10104	5.4
99.08026	17.5
105.06981	17.0
107.08535	26.0
109.06473	4.1
109.10115	20.2
111.08044	4.2
113.09593	18.9
117.06959	5.0
119.08538	10.4
121.10102	14.6
123.08025	1.4
123.11649	8.1
129.55756	0.8
131.08536	12.9
133.10103	14.7
135.11676	11.3
137.09593	1.2
137.13220	6.1
139.11186	1.1
145.10101	7.2
147.11661	15.0
149.09590	2.7
149.13246	9.7
151.11194	2.6
153.12711	1.5
159.11693	4.4
161.13228	7.0
163.11142	3.8
163.14801	6.4
165.12764	4.8
167.14293	3.5
171.11636	0.7
173.11659	2.8
173.13231	4.5
177.12770	0.8
177.16373	1.5
179.14267	3.6
181.15874	3.6
187.13289	1.1
187.14781	2.2
191.71696	0.7
195.13943	0.9
209.15314	1.0
213.39215	0.7
215.86891	0.8
229.14336	3.6
233.22456	1.3
241.17944	1.0
243.15741	0.9
243.21112	6.1
255.19489	0.7
261.22046	12.6
279.23141	39.1
353.26816	30.5
368.27585	0.7
371.23581	1.2
371.27890	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	389.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	1.4
55.01809	7.0
55.05452	36.0
56.01161	1.0
57.03375	6.9
57.07005	6.1
67.05428	97.5
69.03336	1.3
69.06989	50.4
71.04906	6.6
71.08521	1.1
75.78584	1.4
76.46364	1.1
79.05408	46.9
79.65619	1.1
81.06975	100.0
83.04898	7.5
83.08546	16.6
85.06474	2.5
91.05409	15.0
92.37179	1.4
93.06973	54.1
95.04881	1.8
95.08534	67.7
97.06461	11.6
97.10100	11.4
105.06989	10.2
107.08521	26.4
109.06496	2.2
109.10108	28.6
111.08039	1.6
111.11678	1.4
114.50327	1.1
116.52617	1.2
117.07008	1.8
119.08531	7.0
121.10101	26.7
123.07961	1.2
123.11655	8.2
125.09562	2.3
131.08508	11.2
133.10091	7.1
135.08035	2.1
135.11655	14.3
137.13242	6.0
139.11160	9.2
145.10149	6.7
146.68623	1.3
147.11714	4.8
149.09598	2.3
149.13252	6.5
153.12697	1.5
159.11671	2.2
161.13303	1.7
163.14789	2.1
165.12743	2.0
173.11725	2.0
173.13164	4.6
177.16458	1.6
187.14848	1.8
189.11183	1.4
203.12640	1.4
227.12578	1.3
229.14362	2.4
243.21104	2.5
261.22107	10.8
279.23111	28.4
280.23624	1.7
298.93219	1.4
314.53745	1.4
353.26804	28.1
371.27869	16.0
371.35645	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	389.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00235	0.9
53.00745	0.6
53.02888	0.6
53.03872	1.1
53.21584	0.6
54.78065	0.7
55.01806	3.0
55.05450	25.8
57.03373	10.7
57.06762	1.1
57.07014	16.2
60.61717	0.7
65.03866	2.8
67.05428	89.6
69.03355	0.8
69.06147	0.8
69.06612	0.8
69.06989	21.6
69.07346	1.5
70.79665	0.6
71.04893	4.7
71.08547	27.0
71.08950	0.9
79.05410	35.1
81.06974	100.0
83.04898	3.7
83.08537	16.8
85.06462	4.1
85.10104	25.1
87.64703	0.6
89.61025	0.6
91.05399	30.0
93.06970	40.5
94.19911	0.8
95.04868	4.0
95.08532	72.5
97.06460	5.4
97.10115	5.7
99.08024	16.3
105.04517	0.8
105.06970	17.6
107.08537	23.3
109.06455	1.8
109.10107	20.3
111.08067	3.3
113.09580	18.1
117.06966	5.0
119.08542	13.1
121.10091	13.5
123.07992	1.3
123.11650	7.6
125.09567	1.5
131.08540	10.1
131.16144	0.7
133.10117	12.2
135.11644	7.4
137.13235	4.2
139.11140	3.1
139.89641	0.7
141.45497	0.7
145.10094	5.9
147.11664	15.9
149.09485	1.3
149.13229	9.6
151.11160	3.2
151.14801	1.0
153.12685	1.7
159.11655	3.7
161.13235	6.2
163.11224	1.0
163.14752	5.7
165.12747	4.7
167.14265	3.4
173.11839	0.9
173.13229	4.6
175.14734	1.3
177.16348	2.7
179.14264	3.9
181.15817	3.1
187.14737	2.6
195.13702	1.2
196.39568	0.8
229.14299	1.5
233.22609	1.7
243.21031	7.4
251.68349	0.9
261.22101	13.3
279.23154	36.6
288.50391	0.7
297.24179	1.5
303.01700	0.8
353.26761	30.1
371.27826	15.6
372.28098	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	390.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63531	0.5
52.36320	0.5
53.03880	1.0
55.05454	0.6
56.96498	0.9
57.03375	1.1
60.51448	0.5
64.33289	0.7
69.03332	3.0
69.06988	1.2
70.06513	8.0
71.04906	0.9
72.08062	3.1
72.74014	0.7
79.05407	2.9
81.06973	1.0
84.04414	0.9
84.08073	3.0
85.02821	6.0
86.09620	2.6
89.38669	0.6
91.05415	0.8
93.06963	0.8
95.01268	3.3
95.04897	5.7
95.08520	1.1
97.02801	0.7
99.04359	0.8
105.03337	100.0
105.06984	0.7
107.08558	0.7
108.88342	0.6
109.10117	0.7
113.02294	1.4
114.25970	0.6
117.72703	0.6
120.08042	1.3
121.10194	0.8
122.45914	0.6
123.04378	4.0
123.07990	0.7
133.10059	1.1
136.07518	0.9
141.01779	5.6
164.48238	0.6
179.06995	14.6
182.05678	1.4
197.08058	15.0
197.11769	0.7
228.06284	19.3
265.35193	0.7
330.92700	0.7
361.06924	0.7
389.21378	2.5
390.11499	53.8
391.12604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02308	0.5
53.03886	3.4
55.01810	0.6
57.03367	0.8
59.58626	0.4
61.02854	0.8
65.81086	0.5
67.53070	0.4
69.03343	12.0
69.06947	0.5
70.06507	0.7
71.04897	0.6
73.02831	0.7
75.79157	0.5
76.56027	0.6
78.03369	11.1
80.04917	2.3
81.03332	19.2
84.04427	2.3
84.08066	1.0
85.02822	8.4
86.09607	2.3
86.51097	0.5
87.04385	0.6
91.73393	0.5
96.04410	6.1
97.02827	4.5
99.04382	1.2
102.05477	0.5
104.72534	0.4
106.02857	56.1
109.02811	8.8
112.97791	0.5
124.03909	100.0
125.04253	0.9
127.03909	4.0
166.04962	0.5
182.03426	0.5
228.08633	0.8
228.85757	0.5
232.06007	1.2
237.78963	0.6
250.06995	8.6
268.08093	25.2
276.07346	0.6
390.13574	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	390.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	7.0
55.01810	14.6
55.85020	2.8
56.96495	4.1
57.03372	8.1
61.02839	5.2
67.05429	3.9
67.56068	2.8
68.99719	4.5
69.03351	42.9
70.06506	56.6
70.96529	3.4
71.04920	5.9
72.08067	14.2
73.02811	8.8
76.55752	3.0
78.03357	12.2
79.05421	5.6
80.04956	3.9
80.15274	3.7
81.03337	34.8
82.69574	3.2
84.04440	7.4
84.08057	5.2
85.02827	100.0
86.09633	6.2
87.00757	40.4
87.93864	3.7
90.01060	3.7
96.04374	10.3
97.02824	37.2
98.97509	6.0
99.04380	19.7
105.01814	21.8
105.03330	20.4
106.02869	51.2
109.02838	40.6
112.08699	4.6
112.78791	3.6
119.08575	4.1
121.02898	5.0
124.03921	58.1
127.03869	45.9
134.99637	5.7
145.04977	13.3
149.02429	4.4
159.02872	13.8
179.06851	3.8
231.04997	7.5
268.08118	12.2
358.88281	4.5
390.21558	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	390.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	0.8
54.95001	0.5
55.05452	1.0
55.44627	0.5
56.04980	0.5
56.96498	0.6
57.03366	1.9
61.02840	2.9
65.03870	0.5
67.05410	0.6
69.03345	6.0
69.06982	0.9
70.06508	5.7
71.04908	0.6
72.08059	0.8
73.02851	0.5
79.05391	0.9
81.03329	2.0
81.06972	1.1
83.04888	0.7
84.04413	1.1
84.08060	1.2
85.02341	0.8
85.02829	20.1
86.09618	2.5
91.05407	59.8
92.05721	0.6
93.06964	1.1
95.04885	1.2
97.02816	5.6
97.06445	1.0
99.04384	0.7
100.11172	0.7
103.05403	2.5
105.03357	1.7
105.06981	4.3
106.02829	0.6
107.08543	0.8
109.02826	1.2
110.07122	0.8
116.06195	0.7
117.06959	0.9
119.08530	8.5
121.06454	10.9
124.03872	0.6
127.03869	2.3
128.06186	1.2
129.06967	58.5
130.07376	0.7
131.08533	40.2
133.06479	0.6
133.10088	0.7
136.67789	0.5
145.04926	1.2
147.08029	100.0
148.08379	0.8
149.09622	0.6
153.96648	0.5
161.02817	0.5
165.09082	28.1
175.07497	7.7
183.59593	0.6
211.09641	9.3
229.75616	0.5
257.36230	0.5
278.07315	0.5
372.09195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20071	1.8
54.39905	1.9
55.05452	27.4
57.03384	3.6
57.07012	22.3
61.45924	2.1
64.33266	3.0
67.05433	17.0
69.06995	29.6
71.08545	62.6
71.53475	2.4
73.36327	2.3
79.05405	5.3
81.06972	26.8
83.08556	26.5
86.09672	2.6
91.05408	2.6
93.06973	4.6
95.08538	28.2
97.10100	18.6
99.08028	30.8
105.06969	3.1
107.08548	3.2
109.10117	14.9
111.11681	4.2
119.08540	4.1
121.02808	4.2
123.11669	3.5
133.10048	2.7
147.11725	3.1
149.02321	100.0
167.03474	3.3
184.07156	2.9
257.26779	2.3
299.25983	17.3
355.28323	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	390.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	10.9
57.07018	44.7
67.05422	21.8
69.06994	19.9
70.06502	11.8
71.08549	50.2
72.78468	2.2
76.56737	2.4
77.96754	2.1
81.06982	35.7
83.08541	15.0
83.92815	2.6
85.10114	21.8
88.07549	20.3
91.05405	2.9
93.06979	5.8
95.08535	37.3
97.10105	11.9
98.71187	2.5
102.09100	3.0
107.08557	2.9
109.10102	15.3
119.08541	3.2
123.11653	3.2
137.13177	2.7
139.36336	3.0
143.60269	2.3
149.02327	100.0
155.14275	14.1
167.03400	3.5
201.90366	2.7
256.26282	36.8
263.23831	3.2
298.30994	3.1
299.25641	11.5
355.28381	68.2
390.35825	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	390.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	12.5
56.04966	1.6
57.03362	1.4
57.07009	26.8
58.06529	8.7
60.04455	1.0
61.02857	14.7
67.05432	11.4
69.06977	14.1
70.06137	1.8
70.06510	44.9
71.08549	10.6
72.08073	2.8
73.02831	4.4
79.05410	4.8
81.06982	12.3
83.08541	7.9
84.08061	5.1
84.37301	1.3
85.02816	7.8
86.05994	11.7
86.09632	7.4
88.07543	17.0
91.03878	6.3
91.05415	1.6
93.06994	2.7
95.08532	10.7
97.02820	5.4
97.06509	1.9
97.10103	4.4
100.07537	1.3
102.09124	7.0
107.08553	2.1
109.10111	2.7
111.04388	1.3
111.07951	1.1
111.11658	1.4
121.10108	2.5
123.11655	1.8
124.71332	1.1
132.06540	6.1
132.10121	12.1
133.10078	1.7
146.11720	17.1
149.02304	57.4
150.96870	1.3
167.03366	2.1
240.26860	4.4
241.56442	1.1
266.28363	2.1
271.26944	1.2
280.08478	1.1
284.29462	29.1
328.32013	64.5
355.28281	8.9
355.62674	1.5
390.35770	100.0
391.24402	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	390.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87210	1.0
55.05445	2.0
56.96511	1.3
57.07013	18.0
58.06525	1.3
62.72318	1.0
67.05434	1.3
69.06992	4.5
70.06511	24.1
71.08549	10.3
72.62869	1.0
72.93250	1.0
76.81632	1.1
85.10095	1.5
86.09591	1.0
88.07549	22.4
102.09109	2.1
105.06978	1.5
108.29227	1.2
112.79682	1.1
112.80536	1.1
114.09122	13.9
115.27728	1.2
118.08630	1.5
120.10961	1.0
121.02809	1.7
124.76337	1.2
126.44836	1.1
132.10173	40.8
139.51691	1.1
149.02319	60.3
149.03508	2.4
167.03378	2.4
176.12822	4.5
183.25645	1.1
194.13846	9.6
195.68909	1.2
245.13249	1.1
270.27957	1.8
280.82132	1.3
283.48352	1.4
284.29428	5.0
302.30475	7.2
346.33167	2.6
390.35706	100.0
395.28348	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	391.1758
Annotation	H-TRP-TRP-OH
Peak:m/z	Relative Intensity
50.58433	1.1
55.05437	5.7
57.07023	10.3
57.07241	1.3
62.06017	1.2
67.05417	1.4
69.06982	2.0
70.06506	1.2
71.08549	10.7
78.60912	1.2
79.23566	1.0
81.06965	4.9
83.04883	1.6
83.08528	2.5
85.06474	2.0
93.06950	1.9
95.04893	4.7
95.08569	2.1
97.21361	1.4
100.11185	6.4
103.91582	1.2
105.06979	1.6
109.06476	2.9
109.10081	2.5
111.04437	1.6
112.11162	1.7
115.05392	2.8
117.05698	6.0
118.06442	1.7
119.08551	1.4
121.02795	5.8
121.10079	1.7
130.05495	1.3
130.06496	53.8
132.08057	60.1
133.10146	2.0
141.13193	1.9
142.06494	7.7
144.08069	38.1
146.06004	8.5
149.02322	100.0
159.09145	87.6
160.07547	5.4
167.03363	5.5
169.07646	2.3
170.05956	28.9
171.09134	5.7
172.21054	1.3
182.06018	1.8
182.15364	1.8
182.19031	2.7
188.07054	5.1
199.08624	1.4
217.09631	5.7
228.20918	1.3
245.09167	26.4
319.22220	1.5
374.14819	8.0
391.17401	1.8
404.37054	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14332	0.8
54.92854	0.9
55.05436	1.1
57.03379	0.8
57.07013	16.0
58.06529	1.9
61.02851	1.5
69.06964	1.9
70.06501	14.6
71.08554	10.2
81.06958	1.6
83.08527	0.9
86.05980	1.2
86.09611	1.5
88.07555	6.0
89.87780	0.8
102.09077	1.1
109.06464	0.9
115.52599	1.2
117.41065	1.0
121.02852	4.6
124.41792	1.1
130.16682	1.0
132.06511	1.2
132.10193	4.2
146.11761	2.4
149.02315	97.4
154.15216	0.9
167.03358	5.9
189.07620	0.9
280.23572	1.1
284.29398	5.2
285.29819	3.8
328.32004	14.4
329.32333	7.3
356.29041	1.1
390.35666	22.1
391.24454	100.0
391.35846	16.4
392.24930	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	391.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21876	0.8
55.05457	1.5
55.20001	0.6
57.07011	16.4
58.06539	4.2
61.61164	0.7
67.05435	1.6
69.06998	2.1
70.06510	19.1
71.08551	8.9
72.08080	1.4
81.06963	1.6
84.08041	1.1
85.02802	1.2
85.10121	1.2
86.05997	3.4
86.09650	2.0
88.07557	7.9
93.07006	1.1
95.08549	1.0
97.02853	1.2
102.09121	3.3
108.30999	0.8
117.79577	1.0
119.08490	0.8
121.02813	3.8
132.10168	7.8
146.11787	5.4
149.02315	87.8
167.03432	4.2
186.26595	0.9
230.92294	1.0
231.02586	0.9
240.26820	1.3
284.29523	5.6
285.29721	2.1
328.32074	22.4
329.32382	11.4
390.35770	34.2
391.24475	100.0
391.35846	21.3
392.24887	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	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06772	0.6
57.07012	9.1
60.77925	0.5
65.03868	0.7
67.05423	0.5
69.92011	0.4
71.08552	7.9
72.56116	0.4
72.98875	0.4
73.02827	0.5
78.07019	0.4
81.06935	0.5
86.29543	0.4
89.35019	0.4
90.32966	0.5
93.03317	0.6
121.02824	4.3
149.02316	100.0
150.02618	0.7
158.86801	0.5
167.03352	6.1
190.04861	0.5
295.93146	0.5
391.24478	37.3
392.25061	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	0.8
56.12632	0.8
57.07016	11.1
58.06531	1.2
60.16479	0.9
70.06514	12.4
71.08546	10.0
72.08050	1.5
86.09626	1.6
88.07557	1.7
102.09061	1.2
121.02825	5.3
132.10178	2.5
146.11737	2.3
149.02325	91.8
167.03387	4.5
171.70450	1.1
284.29468	2.4
285.29678	1.2
328.32004	12.1
329.32489	7.0
390.35703	16.5
391.24478	100.0
391.35657	11.4
392.24759	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	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31084	0.4
51.09277	0.4
55.05437	0.5
56.96495	2.4
57.07008	9.6
65.03847	0.6
71.08544	9.0
76.96843	0.4
78.13145	0.5
81.07009	0.6
92.10912	2.2
113.13166	0.8
121.02826	5.3
149.02316	100.0
150.02652	0.6
150.95282	0.5
159.59253	0.4
163.43523	0.5
167.03343	5.7
168.92334	0.5
169.71051	0.6
235.06451	0.5
369.19397	0.8
391.24442	39.6
392.24734	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38234	1.1
55.05454	7.6
57.03373	33.9
57.07010	55.8
58.07346	1.8
67.05428	11.0
69.06991	8.3
69.83884	1.2
71.08546	30.6
73.02847	1.8
81.06959	14.5
83.08546	11.2
84.08060	1.9
85.10094	11.5
89.05967	3.1
95.08528	15.2
97.10074	2.0
101.05960	7.1
105.03513	1.4
105.17581	1.3
109.10129	6.7
125.36421	1.4
149.02328	23.2
150.02693	8.8
155.11824	1.7
217.63058	1.5
220.80205	1.4
239.23557	5.1
283.26263	100.0
284.26620	3.2
313.27332	24.7
357.29913	26.8
392.31918	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2607
Annotation	Butaprost (free acid)
Peak:m/z	Relative Intensity
54.81591	1.3
55.39848	1.2
56.96499	1.8
70.15086	1.2
92.10828	1.3
147.46252	1.3
194.11493	7.6
228.34850	1.6
231.18985	1.3
286.57587	1.5
333.17349	6.4
351.18115	1.6
393.26041	100.0
394.26361	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	393.261
Annotation	Butaprost (free acid)
Peak:m/z	Relative Intensity
56.78217	0.8
56.96496	1.4
58.29538	0.8
62.22702	0.8
88.89974	1.0
93.63649	0.9
102.61469	0.9
107.77721	0.9
116.75081	0.9
117.24668	1.1
123.33022	0.9
149.02402	1.7
150.02664	2.0
167.15138	0.9
213.49239	0.9
217.90250	0.9
248.81140	1.2
315.16119	1.1
333.17358	4.4
351.18454	1.1
393.26025	100.0
394.26276	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	393.2611
Annotation	Butaprost (free acid)
Peak:m/z	Relative Intensity
54.81712	1.0
55.67340	0.9
56.96452	1.1
57.07019	1.5
66.97940	0.9
67.05424	0.9
81.06989	1.9
86.60963	1.1
113.93160	1.0
114.75171	1.2
121.96574	1.1
137.82568	1.1
149.02310	8.7
150.02634	4.8
151.02818	1.4
165.08861	1.2
200.46890	1.1
353.19977	2.0
371.21106	1.4
393.26053	100.0
394.26468	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	393.2609
Annotation	Latanoprost (free acid)-d4
Peak:m/z	Relative Intensity
57.07014	4.6
67.05432	1.6
69.66306	1.0
71.08563	2.0
81.06968	2.2
87.49625	1.0
91.24634	1.0
95.08541	1.9
97.77971	1.0
98.98425	2.3
112.99943	5.4
116.98451	1.3
140.98447	1.6
143.00040	1.4
149.02339	6.6
150.02666	5.2
155.01089	2.3
161.01086	1.1
169.02628	2.0
174.99001	1.4
186.99045	1.1
189.00552	1.4
225.29443	1.1
279.53253	1.3
292.91812	1.1
302.04492	1.1
308.99014	1.2
335.15161	5.2
346.92953	1.2
393.26038	100.0
394.26111	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	393.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76322	5.4
55.05452	13.8
56.02715	5.6
57.07008	7.8
67.05424	39.3
69.06956	8.8
70.02865	13.1
74.02359	61.3
79.05394	16.9
81.06979	49.1
87.05516	99.7
88.03916	86.1
93.06990	32.9
95.04874	8.2
95.08539	30.9
105.58759	7.4
107.08590	9.3
110.07114	16.1
116.03386	8.2
121.10085	9.9
133.06056	100.0
149.02336	42.8
150.02684	30.9
151.02861	12.8
184.01677	7.7
190.96092	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	393.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60471	1.4
53.03881	2.6
55.01809	2.4
55.05453	13.4
56.96485	2.9
57.03368	2.2
57.06997	5.8
59.04933	1.3
59.61383	1.5
65.03850	3.4
66.93060	1.2
67.05430	23.6
67.64185	1.3
69.03340	8.9
69.06997	20.9
69.24682	1.5
69.36839	1.4
70.06507	11.0
71.04919	11.5
79.05397	16.8
81.06509	2.8
81.06973	66.5
83.04887	10.0
83.08540	3.3
84.04440	2.5
84.08032	2.2
85.02823	1.8
85.06467	18.7
86.09628	8.9
87.05553	1.6
91.05389	14.7
93.06966	37.6
95.04898	100.0
95.08528	30.9
97.06474	11.0
97.10083	2.1
98.97506	3.1
99.04374	1.7
99.08024	2.7
101.05968	1.5
103.05399	2.1
105.06965	26.2
107.04862	2.3
107.08534	28.4
109.06464	62.8
109.10104	27.6
111.04406	3.4
111.08015	7.0
112.11191	6.3
116.98612	2.9
119.08514	20.7
120.08034	8.2
121.06459	3.8
121.10094	24.4
123.08048	3.6
123.11658	14.1
125.09569	3.6
127.07511	6.3
131.08530	10.3
133.10078	11.2
134.99614	2.9
135.08052	13.1
135.11679	9.8
137.13229	2.5
139.11162	7.4
143.08542	3.1
145.10101	9.0
147.11684	12.5
149.02306	8.4
149.05864	1.9
149.09669	1.9
149.13205	6.1
150.02652	6.0
151.11153	3.1
153.00731	2.5
155.11716	2.4
157.10123	2.9
158.07259	2.0
159.07959	1.6
159.11638	11.8
161.09506	1.9
163.07460	3.1
163.14656	1.8
172.08727	1.7
173.05887	1.9
173.09532	2.0
173.13126	6.6
175.11151	1.9
175.14703	2.4
183.11627	2.0
186.10378	7.7
187.11150	6.2
191.06967	2.4
201.12730	8.8
201.16438	2.2
215.17940	2.7
229.10103	2.0
229.11990	12.0
237.02876	1.8
241.00258	2.1
245.06650	2.0
245.96159	1.7
259.01468	2.0
260.08875	3.0
303.23032	2.2
321.24222	3.2
339.25366	2.2
375.18994	13.4
393.13892	7.4
393.28149	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	0.4
53.03877	1.8
55.01814	2.7
55.05451	7.8
57.03361	2.6
57.07016	5.7
58.06536	0.8
59.04930	3.6
61.02831	0.4
65.03854	2.5
67.05428	20.2
69.03346	4.3
69.06985	16.3
70.06501	1.9
71.04905	4.4
71.08520	0.4
72.08062	2.2
73.02811	0.4
75.82910	0.3
79.05411	11.0
79.73743	0.4
81.03324	1.6
81.06975	33.2
83.04900	6.3
83.08534	2.9
84.08066	3.1
85.02814	2.1
85.06464	21.1
86.09624	5.0
87.00769	0.4
87.04363	0.8
91.05397	10.0
92.06162	0.4
93.06974	25.8
95.04894	100.0
95.08529	20.8
95.80015	0.4
96.05218	0.5
97.02792	0.6
97.06446	5.0
97.10107	1.8
98.09624	0.7
99.04394	0.7
99.08038	3.6
100.07551	1.6
101.05938	0.5
105.06973	14.9
106.02834	2.1
107.08537	18.5
109.02782	0.4
109.06470	13.6
109.07192	0.7
109.10101	14.4
110.07127	0.5
111.04397	0.6
111.08029	3.1
111.11678	0.5
112.11195	7.6
113.09602	0.9
117.06983	2.4
119.08532	10.0
120.08111	3.0
120.08850	0.5
121.06503	1.7
121.10094	12.0
122.62276	0.4
123.08025	2.5
123.11640	4.2
123.98749	0.4
124.03927	3.0
125.00484	0.6
125.09604	3.8
127.07517	4.3
128.06187	0.6
129.06984	0.6
129.13843	2.5
130.07773	0.5
131.08542	3.6
133.10092	7.4
135.08034	2.0
135.11665	5.2
136.07599	0.5
137.09610	1.6
137.13225	1.9
139.11168	4.8
141.79204	0.4
142.07729	0.6
143.08554	1.7
143.10660	2.3
145.10091	6.2
147.11676	6.2
149.02351	1.9
149.09650	1.9
149.13255	3.1
150.02664	1.5
151.11171	2.3
153.12749	0.5
155.10666	0.7
155.11787	2.6
157.10117	2.6
157.12224	2.3
159.11644	5.9
161.09480	0.5
161.13272	2.5
163.07529	0.9
163.11133	1.6
163.14822	1.9
165.12701	0.7
167.10649	0.9
169.10120	0.8
171.11668	1.8
173.13225	2.6
175.14824	1.7
177.12668	0.6
177.16405	0.9
181.12238	0.7
183.11568	0.5
185.13200	0.5
187.14836	1.6
189.16374	0.8
191.06998	6.9
191.18030	0.5
199.14818	0.8
201.16360	2.2
203.14444	0.5
203.17943	0.6
211.14908	0.6
213.16335	0.5
215.17940	1.7
233.18887	0.8
237.02985	0.4
247.16959	0.4
248.12802	2.3
251.14043	0.4
251.20052	2.4
267.21085	0.5
268.08005	0.8
269.21094	0.6
285.22116	2.0
291.23422	0.5
303.23227	2.7
319.20245	0.9
321.24240	0.7
393.19879	0.5
393.28418	3.8
417.15625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99134	0.6
52.17483	0.6
54.67065	0.5
56.31503	0.6
58.06297	0.7
58.06533	10.4
70.06506	1.2
72.08080	6.7
83.32402	0.6
84.08067	50.0
90.58250	0.6
90.80796	0.6
93.80421	0.7
95.04894	1.6
98.09625	16.1
100.07555	20.9
101.07036	1.2
105.06987	0.9
105.67368	0.6
109.17389	0.7
110.09628	3.3
112.11193	98.6
113.07085	9.9
129.13838	39.4
148.05176	4.3
151.07516	12.5
151.96811	0.6
155.11763	38.9
163.07504	17.7
165.09123	0.8
169.13335	7.3
171.14903	2.9
190.62048	0.7
191.06992	100.0
192.07394	1.0
198.34183	0.7
212.17549	2.7
214.19156	2.6
229.20274	1.3
235.61296	0.7
247.14424	0.8
248.12756	34.5
319.20142	16.7
393.28528	56.8
394.28809	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96498	1.1
57.07008	40.7
59.90281	0.4
65.52544	0.5
81.06956	0.7
87.33661	0.4
125.07057	4.4
126.05455	3.5
133.19781	0.5
149.02306	2.0
150.02679	1.2
151.03082	0.5
208.14395	2.3
209.12791	12.1
210.11206	0.6
213.84842	0.5
218.12804	5.0
219.11295	1.3
259.12234	0.7
260.12411	0.7
275.17438	9.8
292.20126	6.6
293.18533	7.1
302.18555	15.0
329.15997	0.5
352.18463	0.8
353.19885	0.9
376.25842	100.0
377.26147	3.7
394.26877	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	393.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11978	0.6
52.08154	0.7
53.03876	0.7
55.05453	22.3
57.07000	4.2
57.07253	0.7
64.31200	0.7
65.76289	0.8
67.05077	1.2
67.05428	31.1
69.06988	32.2
71.08563	0.9
79.05398	9.4
81.06503	1.6
81.06976	45.8
82.06494	4.5
82.41090	0.8
83.04894	1.9
83.08537	18.7
84.08075	1.2
91.05423	6.3
93.06985	14.3
95.04893	1.2
95.08533	40.0
97.06440	1.5
97.10120	5.9
105.06984	9.2
107.08528	9.4
108.48672	0.8
109.06461	9.2
109.10108	18.8
110.05960	3.0
119.08550	7.1
121.10081	7.6
123.08002	1.7
123.11668	6.1
133.10074	4.7
135.11662	5.9
137.09576	0.9
137.13206	1.2
147.11688	7.9
149.13217	7.0
151.14729	0.9
161.13225	5.4
165.12740	1.0
175.14781	3.4
179.14212	4.0
182.15446	1.4
196.16942	1.9
231.20982	8.3
238.25270	1.8
248.23787	1.9
249.22083	4.8
266.24731	100.0
267.25031	3.4
283.27390	1.8
305.22040	1.4
326.21231	0.9
357.28741	2.7
375.29987	49.8
376.30283	1.8
385.03397	0.9
393.31018	98.0
394.31628	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	393.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00256	0.7
53.03875	0.9
55.05187	1.0
55.05450	25.9
57.07005	4.4
59.04919	0.7
61.47211	0.7
66.70766	0.6
67.05425	33.0
69.06988	34.7
70.06502	0.8
71.08527	0.7
74.13044	0.7
74.92108	0.6
79.05401	10.3
81.06975	51.5
82.06505	7.4
83.04891	1.6
83.08538	18.3
91.05416	9.0
93.06980	11.8
95.04889	0.8
95.08530	41.5
97.06489	1.5
97.10092	5.7
105.06971	7.6
107.08553	13.2
109.06482	9.7
109.10098	19.1
110.06002	2.9
111.08048	0.9
119.08533	8.7
121.10104	10.5
123.08080	1.1
123.11661	7.8
128.07057	0.9
133.10114	5.0
135.11665	4.1
137.09592	0.9
137.13213	1.1
142.01672	0.8
147.11671	8.7
149.02281	1.5
149.13271	6.4
150.02664	0.9
151.14781	1.3
161.13235	7.8
163.14734	1.1
165.12735	1.6
175.14787	1.2
179.14276	4.5
182.15370	2.9
189.16374	1.2
196.17009	1.6
204.99837	0.9
206.42747	0.7
231.20946	8.0
238.25282	3.0
248.23730	2.9
249.22003	6.3
266.24722	97.2
267.24994	4.0
283.27408	1.5
285.73148	0.8
328.23843	0.7
347.30618	1.1
357.28809	3.8
375.29968	40.7
376.30185	1.8
393.31018	100.0
394.31451	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	394.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21826	0.6
55.05454	3.0
57.07007	1.1
59.51715	0.7
67.05433	10.1
68.96046	0.6
69.06990	7.7
74.04972	0.6
79.05421	3.0
79.39403	0.7
80.39548	0.7
81.06963	8.8
83.08543	1.3
86.09625	100.0
89.05956	7.7
91.05363	0.9
93.06989	1.4
95.08526	5.7
99.59366	0.7
105.06985	0.9
109.10106	1.1
119.08485	0.8
121.10083	1.0
132.10168	26.8
170.25568	0.7
192.51895	0.8
195.12270	5.0
348.32385	0.8
400.01135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18389	2.6
55.05453	2.6
56.04949	3.6
56.96494	4.4
66.66131	2.9
69.03338	6.8
69.06973	3.3
70.06519	37.3
71.04914	3.9
72.08068	6.5
79.05396	5.5
81.06953	6.9
84.04424	15.9
84.08083	19.8
85.02818	5.5
86.09628	13.0
90.95770	2.7
91.05398	11.8
93.06989	6.8
95.04929	3.3
95.08548	9.2
97.06445	4.0
98.97498	3.2
105.03323	5.2
105.07000	4.8
107.08513	3.6
109.10115	2.8
110.07112	12.9
116.98563	5.4
119.08559	5.5
120.08059	16.6
124.03909	5.1
127.03796	3.0
130.06590	4.2
133.10103	4.2
152.07080	3.5
153.05457	4.2
177.00720	3.2
185.07959	4.0
185.13214	2.7
188.13481	2.7
219.06288	14.7
283.66501	3.7
296.17154	3.6
395.09183	100.0
395.12772	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	395.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	1.2
55.01807	1.7
55.05451	30.4
57.03354	1.6
57.07014	9.3
65.03855	1.0
67.05427	69.4
69.03338	3.4
69.06993	15.6
70.06483	1.0
71.04892	4.5
71.08543	3.4
79.05395	7.3
81.03341	1.1
81.06976	100.0
81.70311	0.9
83.08091	1.3
83.08539	21.1
85.02824	7.5
85.06459	36.3
91.05399	3.5
92.10329	1.1
93.06982	7.1
95.04892	9.4
95.08533	91.7
97.02821	1.4
97.10102	20.9
99.08020	8.8
105.06956	2.0
107.08524	4.3
109.02837	1.1
109.10104	76.2
110.10396	1.0
111.11656	1.9
113.09562	1.1
114.09121	1.2
119.08550	2.0
121.10102	1.4
123.11663	47.0
127.07478	1.3
127.11136	1.9
135.11662	1.0
137.13206	6.3
145.10095	1.4
149.13147	0.9
162.66901	0.8
163.22145	0.9
169.04875	0.9
179.17886	13.3
197.18971	50.5
209.08035	1.0
215.20020	15.3
225.77899	0.9
233.21030	5.7
264.78802	1.0
326.26120	0.9
395.23962	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	395.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50028	0.8
54.82085	1.1
66.62714	0.8
67.05423	1.2
67.08960	0.8
69.06986	0.8
81.06978	1.4
81.18261	0.7
84.65567	0.7
84.66210	0.7
92.10262	1.7
107.88509	0.7
126.42395	0.7
144.67165	0.9
303.23306	0.8
395.27612	100.0
396.27991	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	395.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69066	2.7
58.14687	3.2
61.74245	3.0
72.04401	3.0
81.06990	3.7
91.05289	3.3
95.08504	3.8
95.37378	3.1
123.08049	4.6
173.96689	3.6
200.14966	3.4
216.57936	3.5
251.28487	3.6
375.49673	3.7
395.27655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81588	1.2
55.01804	3.2
55.05446	6.1
57.07015	2.4
58.06515	1.5
64.33263	1.4
67.05430	38.5
69.07008	12.6
70.06510	100.0
79.05405	6.3
81.06974	32.0
85.90669	1.4
87.09158	23.9
88.07558	16.4
91.05390	12.4
93.06964	8.8
95.04885	2.4
95.08536	8.0
97.06448	2.9
105.06989	11.2
107.08519	3.5
109.06477	2.4
109.10103	3.8
117.06966	9.2
119.08522	9.2
121.06467	2.5
121.10072	2.7
123.04376	1.6
123.07990	7.4
123.11674	1.8
129.06976	12.6
131.08534	8.6
133.06435	7.6
133.10086	3.2
135.08018	7.0
137.09637	1.7
143.08514	7.0
145.10089	2.8
147.08008	19.0
149.05989	1.6
150.09140	1.8
151.07516	7.6
157.10110	3.7
161.09552	6.1
163.07527	12.5
164.07022	1.9
171.07924	1.8
171.11615	2.6
173.09534	1.8
175.07452	12.4
175.11099	7.6
180.10146	1.9
183.10097	1.7
185.09570	2.3
189.09035	1.5
189.12663	2.0
199.11259	1.9
204.10094	1.7
205.50021	1.8
227.17891	5.4
245.18898	9.5
255.17310	2.1
273.18353	2.6
312.31555	1.9
314.28925	1.9
330.24164	9.6
359.26862	29.3
360.25305	3.0
373.07895	1.8
377.27933	53.2
395.24124	4.4
395.28799	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	395.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52113	2.0
52.91048	2.1
55.05442	17.3
55.05689	2.1
57.06998	5.0
67.05428	36.7
69.06975	16.9
70.02853	11.1
74.01960	3.2
74.02345	38.6
79.05407	9.9
81.06971	30.3
83.08558	3.6
87.05521	68.0
88.03374	3.7
88.03911	100.0
90.05461	3.3
91.05394	3.0
92.10272	3.7
92.71124	2.9
93.06969	4.3
95.08510	30.7
97.06478	3.8
97.70255	2.4
98.98361	9.5
105.06967	2.7
107.08529	5.7
109.10092	5.8
116.03409	12.8
119.08512	4.8
121.10042	3.1
133.05090	4.3
133.06042	67.8
133.10124	5.0
155.01022	5.8
175.14969	3.0
276.94150	2.8
395.27646	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	395.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83507	3.7
54.16581	3.7
55.05442	26.4
55.77859	3.5
57.07003	28.2
67.05432	41.0
69.06993	35.0
71.05908	3.9
71.08540	19.1
72.08054	6.3
79.05409	26.2
81.06979	100.0
82.65011	3.7
83.08524	16.6
85.10114	18.3
88.05012	5.5
89.05954	44.9
89.45204	4.1
90.06283	5.2
90.39764	4.8
91.05396	35.3
93.06980	34.7
95.08543	65.4
97.10078	9.1
102.04610	4.1
105.06985	60.0
107.08526	35.3
109.10122	26.1
111.11636	5.6
111.60127	4.4
117.06965	25.0
119.08528	27.2
121.10081	9.4
123.11678	6.4
129.06976	6.5
131.08568	33.2
133.08586	9.3
133.10133	38.5
135.11601	7.5
139.48459	4.3
143.08537	9.5
145.10117	60.7
147.11661	27.1
156.35019	4.6
157.10132	19.5
159.11685	50.7
161.13286	8.8
173.13126	5.6
195.12178	33.6
196.12505	6.1
199.14835	7.7
225.86909	4.5
240.73233	5.6
263.88901	5.3
296.67145	4.2
343.38547	4.7
395.28940	10.2
395.36636	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57449	1.7
54.81932	1.9
55.05451	23.5
57.07015	29.1
59.00890	1.9
65.03880	2.8
67.05422	37.9
69.06986	43.0
71.08539	17.7
74.47878	2.1
79.05418	27.7
81.06976	100.0
83.08542	21.0
85.10095	18.6
86.09658	4.4
89.05975	16.8
91.05393	33.4
92.10262	3.2
93.06976	25.7
95.04886	3.1
95.08528	57.2
95.09079	3.7
97.10098	12.5
105.06982	45.4
107.06992	2.2
107.08543	29.4
109.10117	29.0
111.11675	5.2
115.05357	2.7
117.06969	24.3
119.08521	20.7
121.10088	12.4
121.33248	2.2
123.11661	12.0
128.06244	3.7
129.06938	5.4
129.72977	2.4
130.07739	8.8
131.08530	31.4
133.10101	36.5
135.11642	4.2
137.13182	3.1
143.08574	12.4
145.10106	60.9
147.11671	28.9
147.68684	2.3
157.10133	16.1
159.11649	46.4
161.13231	9.9
163.14751	3.0
173.13245	16.7
187.03888	2.6
187.14746	4.2
195.12259	11.6
196.12553	2.9
199.14830	9.9
213.16396	5.4
227.17995	3.8
241.19353	3.2
255.21094	4.7
262.05771	2.3
288.92224	2.6
348.58292	2.8
394.32727	2.4
395.31897	5.1
395.36639	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.347
Annotation	Semiplenamide E
Peak:m/z	Relative Intensity
52.53156	0.5
55.05446	3.8
56.78899	0.5
57.07035	0.7
65.73972	0.5
66.49709	0.7
67.05424	2.8
69.06993	8.0
70.29341	0.8
79.05417	3.1
81.06969	3.8
83.08546	1.1
86.09629	100.0
89.05945	0.9
93.06949	2.2
95.08545	4.1
97.10131	0.8
109.10140	1.3
121.10080	1.4
132.10181	26.2
135.11665	1.2
149.13174	0.6
297.07123	0.8
350.34198	1.3
396.34396	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	397.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	6.5
55.05438	10.4
55.35238	1.2
55.59740	1.3
56.96494	3.3
57.03359	3.0
61.02848	3.1
62.80703	1.4
69.03346	23.7
70.06510	16.4
71.04899	6.6
72.08077	2.6
72.69990	1.5
73.02814	3.8
73.06464	25.0
76.22131	1.4
81.03336	24.8
84.04444	2.5
84.08065	3.7
85.02831	72.6
86.09630	2.3
91.05413	1.9
97.02822	25.2
98.97495	3.8
99.04386	64.9
101.05947	8.3
103.03876	100.0
109.02819	20.4
110.07118	2.7
116.98546	6.2
120.08098	1.9
127.03880	87.4
134.99638	6.8
136.07596	2.4
145.04926	20.5
147.04390	2.0
153.00691	2.0
157.08446	1.8
163.06029	16.9
187.05910	2.3
202.73961	1.5
259.11679	10.3
307.09961	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	397.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84853	0.6
53.03889	6.4
55.01797	0.8
55.05451	5.7
57.03363	1.7
59.20620	0.7
61.02849	1.4
69.03355	20.2
69.16120	0.7
70.06506	5.3
71.04919	6.3
72.08045	0.7
73.02827	3.4
73.06470	24.9
74.05980	0.9
75.35523	0.7
81.03338	19.3
84.04441	1.7
84.08075	4.3
85.02832	81.5
86.09621	1.0
87.04426	1.0
88.85383	0.7
92.62473	0.8
97.02831	24.3
99.04388	56.3
101.05956	7.4
103.03883	100.0
104.04167	0.8
107.47354	0.7
109.02836	16.8
110.07125	1.3
115.06200	0.7
119.04861	1.0
120.08101	0.8
127.03880	85.5
128.04276	1.1
129.10182	1.2
132.04417	1.4
145.04961	23.0
147.04436	1.0
157.08453	1.0
163.06018	14.3
187.06039	1.8
194.18182	0.8
199.09639	0.9
205.07109	0.9
259.11743	10.7
271.08051	3.4
307.10062	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2559
Annotation	His Lys Leu
Peak:m/z	Relative Intensity
64.43984	1.6
102.28938	1.7
144.99051	1.7
380.87616	1.6
387.26270	1.9
397.25519	100.0
397.30597	3.6
398.25766	3.3
406.79037	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05218	0.7
55.05451	13.2
55.77139	0.8
57.07009	6.2
67.05111	1.1
67.05422	14.9
68.31762	0.7
69.06982	16.1
70.02876	8.5
71.08536	1.9
74.02350	32.1
79.05423	6.0
81.06976	11.4
83.08530	10.7
87.05513	65.8
88.03914	100.0
91.05394	1.1
91.48718	0.8
92.10230	1.1
93.06979	7.8
95.08532	14.9
97.10085	5.3
98.02334	3.2
99.00716	3.0
107.08530	3.7
109.10087	5.3
111.11613	1.0
116.03387	13.2
120.54767	0.8
121.10120	6.7
123.11649	1.1
127.03468	0.9
133.06053	59.5
135.11659	4.0
149.13268	1.0
247.24132	1.2
265.25235	1.5
271.21365	0.8
277.17978	1.9
278.18210	3.2
280.76001	0.9
292.25769	0.8
319.85754	0.8
352.28339	8.0
380.27899	11.9
396.34393	1.6
397.29712	4.1
397.34692	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	397.331
Annotation	7,11,15-Trimethyl-3-methylene-1,2-hexadecanediol diacetate
Peak:m/z	Relative Intensity
51.22593	1.3
55.01811	3.3
55.05452	36.0
56.31674	1.2
57.03377	25.8
57.07013	41.0
64.32695	2.0
66.76042	1.3
67.05070	3.1
67.05430	80.5
69.06988	43.7
71.04909	8.0
71.08546	26.1
79.05408	17.1
81.06976	100.0
83.04902	3.6
83.08544	19.7
83.63653	1.5
85.06471	6.0
91.05415	6.6
93.06966	16.2
94.18011	1.5
95.08539	96.5
95.09157	3.3
97.06442	2.4
97.10109	12.5
99.08003	1.6
105.06979	6.0
107.08538	9.2
109.10107	37.4
110.49545	1.6
111.11661	4.0
119.08583	2.2
121.10095	10.2
123.11659	10.7
123.63386	1.6
125.34410	1.6
133.10107	3.4
135.11661	7.9
137.13235	2.1
141.12721	10.4
147.11679	2.7
154.09018	1.7
169.15871	10.4
189.16325	2.9
212.79857	1.5
329.58472	1.8
333.31619	3.3
351.32520	97.0
352.32703	2.2
397.33344	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84486	0.9
56.20858	0.8
57.07005	1.5
69.06989	14.5
79.74590	0.9
86.09628	100.0
86.23643	0.9
89.05935	1.1
92.10949	2.1
98.58565	1.1
115.28014	0.8
324.32486	5.2
352.31967	2.0
411.76471	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37982	0.5
53.77028	0.6
57.07008	3.6
60.61209	0.5
63.52174	0.5
64.16218	0.5
67.05415	0.8
69.06980	4.9
81.06977	2.6
83.08549	0.8
86.09627	100.0
93.07012	0.7
95.08526	1.0
96.00914	0.6
102.11894	0.5
103.17327	0.6
111.04227	0.6
144.14069	0.7
147.11516	0.7
177.76010	0.6
192.01154	0.6
324.32529	4.6
352.31949	3.7
379.24863	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21024	1.1
52.29498	1.1
57.03354	3.1
60.04445	2.4
64.90804	1.0
69.03333	1.8
71.04906	100.0
71.57589	1.0
73.02817	1.6
73.43472	1.1
81.03321	1.3
84.04433	1.7
85.02819	9.3
85.06491	1.4
88.10170	1.3
95.01247	1.9
97.02822	2.3
99.04396	2.2
103.03846	3.2
104.46736	1.2
113.05938	1.8
115.72999	1.2
115.99715	1.3
117.05445	7.9
127.03835	2.5
131.07033	2.7
134.99655	2.2
141.01814	6.0
145.04971	1.6
155.20119	1.4
187.09618	50.3
264.78693	1.3
353.03448	1.3
363.12854	9.6
398.27591	1.3
412.66165	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	398.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56151	4.8
51.59563	4.5
52.46946	4.3
55.01801	5.4
55.05443	32.5
56.96507	56.5
57.03376	20.0
57.07006	33.0
57.47380	4.3
63.67852	4.2
64.17253	5.1
67.05424	64.5
67.09384	4.5
69.03342	10.2
69.06992	100.0
71.04901	7.8
79.05394	51.4
81.03320	6.6
81.06981	52.9
83.04901	7.8
83.08533	30.3
85.02811	8.5
85.06470	11.8
86.09602	6.0
89.81160	4.8
91.05389	8.5
92.64068	6.1
93.06975	56.5
95.08543	48.8
97.02832	21.2
97.06451	29.0
98.97523	19.3
99.08038	6.9
107.08541	46.4
108.62157	5.4
109.10095	21.7
111.08002	7.1
111.11751	5.0
116.98601	12.4
119.08482	5.0
125.81171	5.1
134.99632	5.9
135.11664	82.4
137.13266	10.0
146.99603	6.7
150.73024	4.9
153.12762	8.6
181.12184	8.4
183.13780	30.0
283.19385	6.5
291.26645	11.7
301.20447	11.9
335.25754	8.6
337.26895	7.0
354.23239	10.7
363.25311	53.2
377.75949	81.6
378.26007	27.4
381.26178	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39474	0.4
54.47377	0.4
54.81397	0.5
55.05452	1.0
55.52465	0.4
65.03832	1.0
67.05421	1.1
68.07949	0.4
71.08542	2.5
71.65514	0.5
79.05399	0.7
81.06956	2.2
87.27928	0.5
91.05406	100.0
92.05728	0.8
93.06950	2.4
95.08527	2.8
97.06440	0.8
99.08015	0.8
105.06928	0.6
107.08492	0.6
108.08058	10.2
109.06436	2.7
109.10162	0.6
119.08556	0.6
143.95003	0.5
147.54533	0.5
147.59877	0.6
165.12686	2.6
167.71100	0.6
177.63870	0.5
186.70917	0.5
291.23196	3.6
381.27753	1.0
398.30466	13.2
399.31155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	21.9
57.07009	16.5
59.15277	7.7
67.05422	45.0
69.06985	23.1
69.44567	7.8
70.06512	10.7
76.56818	9.3
79.05417	11.9
81.06986	100.0
83.08520	10.7
85.88034	9.0
88.07544	15.9
88.38216	12.2
88.58428	9.4
91.05410	12.0
92.64680	9.4
93.06959	80.2
95.08540	95.5
105.06981	17.9
107.08511	87.2
109.10107	93.8
117.13358	10.7
119.08538	39.1
121.10083	60.4
123.11643	48.3
133.10118	14.6
135.11668	45.7
145.10083	10.0
149.13234	22.4
161.03658	10.6
161.13368	10.2
163.14787	41.2
207.28253	10.3
265.45343	9.5
398.36279	39.3
399.17694	58.5
399.29892	10.7
399.36124	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68855	4.1
55.05444	10.8
56.96499	7.5
57.38710	4.3
67.05421	26.2
69.03354	12.6
69.06976	5.6
70.06511	100.0
72.08064	11.1
78.90248	5.4
79.05412	42.5
79.07815	4.7
80.06219	6.2
81.06968	56.5
83.04906	10.2
84.04451	21.6
84.08073	31.6
85.02826	46.1
86.09624	14.2
91.05399	47.2
92.10983	7.0
93.06976	53.0
95.08537	66.1
98.97514	7.3
105.06960	51.6
107.04893	27.1
107.08541	35.7
109.06479	7.6
109.10107	69.8
110.07104	12.2
117.06971	11.4
119.04943	6.2
119.08526	64.5
120.08067	7.5
121.06440	6.1
121.10072	5.6
123.11617	10.3
125.06028	6.1
129.06938	8.0
129.10149	9.9
131.08540	32.5
133.10085	23.4
135.11630	9.2
137.09610	27.2
143.08534	12.3
145.10123	28.4
147.11682	11.9
155.08607	10.3
157.10182	11.2
159.08055	8.0
159.11659	8.7
163.07538	6.9
169.10089	11.2
171.11659	5.8
183.11676	22.7
185.13197	19.0
193.08603	10.1
197.13200	10.2
207.13750	8.7
225.16386	32.2
227.17984	23.8
243.17444	33.1
245.18942	14.3
253.15848	24.3
261.18405	6.8
271.16910	90.8
289.17911	33.3
299.16302	12.2
317.17496	91.9
335.18396	12.5
345.16934	74.6
363.18045	60.0
381.19052	52.2
387.06647	7.8
399.20062	10.3
410.17511	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	399.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61388	4.6
91.38766	4.4
92.10889	5.5
104.91252	4.3
105.06336	5.3
113.82195	4.2
219.77544	4.8
228.40878	5.1
233.79810	5.0
247.19069	5.0
399.26999	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81942	0.5
104.23584	0.4
157.07948	0.4
190.86572	0.5
247.43585	0.5
307.13016	0.5
325.10229	0.5
399.30743	100.0
400.31094	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	399.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06998	0.5
92.64536	0.6
100.47932	0.5
121.02820	0.9
127.76136	0.5
149.02330	24.4
150.02650	10.9
167.03421	0.7
222.76248	0.5
270.48825	0.5
297.13058	0.8
317.73129	0.5
384.15311	0.6
399.30734	100.0
400.31149	3.8
411.16287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63928	1.9
55.05439	4.1
62.23421	2.1
67.05418	9.3
69.06984	11.3
71.08552	2.9
71.16491	2.0
79.05392	13.8
81.06992	17.7
83.04887	4.9
84.38776	2.9
88.07529	2.4
91.05411	63.6
92.05755	16.4
93.06979	11.5
95.08520	14.8
97.06454	76.5
100.91027	2.2
105.06963	9.1
107.08540	10.6
108.08043	2.7
109.06460	100.0
109.10091	9.4
119.08528	5.8
121.10128	8.9
123.07999	12.9
131.08562	2.6
133.10104	3.9
135.11642	3.4
145.10052	3.2
145.46475	2.7
147.11740	2.7
149.13206	2.9
159.11615	2.9
161.13217	3.6
166.98763	2.3
189.16238	2.6
322.42120	2.9
327.72177	2.9
381.31458	4.6
384.38101	2.6
399.31284	55.6
400.27759	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	399.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	9.2
56.84105	3.5
57.06963	3.7
67.05430	30.8
69.06989	45.8
70.37937	3.9
79.05392	22.8
81.06977	100.0
82.39663	4.3
83.01257	18.2
83.08546	5.6
90.67080	4.1
91.05378	6.1
93.06960	27.7
93.08812	3.7
95.08540	50.6
105.06977	5.6
107.08527	29.2
109.10087	20.1
111.07955	4.8
115.75952	4.2
121.06429	4.9
121.10091	16.7
123.08022	8.3
123.11641	7.5
124.33350	4.4
125.05865	6.1
125.09512	4.3
135.11678	8.2
139.07500	24.6
148.30502	4.5
149.13231	8.7
181.12228	9.1
195.13771	19.5
207.13687	17.7
213.93062	4.9
241.49854	4.6
399.30936	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	3.7
59.70174	2.4
67.05434	3.8
69.06967	3.5
74.29401	2.3
79.05389	4.0
81.06955	12.2
83.04891	3.4
83.08539	3.4
93.06954	4.3
95.08522	5.5
97.06461	69.2
97.10106	3.1
108.24630	3.0
109.06470	100.0
118.43633	2.7
123.08023	13.1
133.10031	2.3
139.46132	2.7
142.24467	2.5
145.10123	3.0
159.11754	3.1
282.76224	2.6
314.39792	3.3
376.78207	3.1
399.30658	40.8
399.36066	70.1
400.36533	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	400.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01802	1.4
56.96504	0.3
57.03373	1.9
61.02833	0.2
63.12646	0.3
65.10382	0.2
66.50062	0.2
67.05377	0.2
69.03352	3.6
70.06519	0.4
71.01274	0.3
71.04901	0.3
72.08063	0.2
72.70736	0.2
73.02831	1.5
79.06605	0.2
80.89249	0.3
81.03328	0.5
82.01933	0.2
83.04898	0.3
84.04408	0.3
85.02831	2.9
86.09608	0.3
87.51805	0.2
92.92118	0.2
94.03946	0.4
94.68410	0.2
97.02834	3.4
98.05980	0.2
98.97508	0.4
99.04389	1.3
103.03893	1.1
103.05391	0.4
106.81926	0.2
107.04926	0.2
110.07172	0.3
115.03899	0.9
116.98566	1.4
118.08614	1.9
119.03517	0.5
120.08057	12.9
120.08921	0.4
121.08411	0.5
123.17942	0.2
124.03874	1.6
127.03846	0.8
127.05011	1.5
133.04945	0.4
134.99622	0.9
136.06160	100.0
137.04558	1.1
137.06563	0.4
145.04953	0.3
166.08597	2.5
189.95149	0.2
201.01787	1.0
207.50896	0.2
219.02959	2.0
243.02887	0.3
248.23152	0.2
268.10339	5.0
282.93768	0.3
336.72812	0.2
400.14459	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	400.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65906	1.2
52.09516	1.3
56.96498	2.2
57.03372	57.5
60.04469	1.9
64.32847	1.6
69.06989	12.3
70.06504	19.3
71.01260	2.0
71.04896	1.7
72.08073	2.9
73.02826	2.4
75.04001	2.9
75.04399	48.6
76.55937	1.3
83.06032	2.1
84.04436	3.2
84.08061	5.9
85.02833	23.4
86.09650	1.9
87.08035	6.9
93.05451	100.0
95.01257	13.0
97.02842	2.0
101.05956	1.8
101.50599	1.5
110.07104	6.1
113.02312	2.6
116.06992	2.0
121.10066	3.4
129.11290	1.5
130.06467	3.5
139.11073	2.4
141.01834	19.0
151.03886	40.5
151.04987	4.1
157.12201	2.4
161.11697	18.0
176.07024	3.5
177.80986	1.6
189.11176	26.7
203.12709	2.2
222.07582	2.3
250.13399	1.7
261.02847	2.0
298.51614	1.9
301.33939	1.5
413.20416	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	400.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26683	0.7
55.05457	8.4
56.04964	1.3
56.53894	0.6
57.07018	6.7
57.07237	0.8
58.06527	1.8
67.05415	1.1
67.40194	0.6
69.06985	7.3
70.06506	15.2
72.04432	64.3
72.99794	1.4
76.62683	0.7
79.05379	0.8
81.06985	1.1
83.08533	3.0
88.02139	100.0
88.07555	19.2
93.14667	0.8
95.08525	1.2
102.09119	8.8
128.51262	0.7
132.10123	1.1
137.46869	0.7
151.75671	0.7
154.34274	0.7
163.11108	4.0
179.08821	1.6
182.06305	1.0
208.30269	0.7
222.13104	0.9
238.12607	2.5
250.12596	5.4
264.76141	0.7
338.34143	24.6
344.16736	6.7
382.36469	1.3
399.30759	22.9
400.23325	6.5
400.31021	19.1
400.37656	41.4
401.26523	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	400.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55824	3.7
54.81239	3.1
55.05222	4.1
55.05455	82.1
55.80061	3.8
57.07005	23.7
59.24530	2.9
67.05423	39.1
68.25270	3.2
68.52537	3.7
69.06982	74.3
71.04910	7.1
71.08537	6.9
74.25696	3.2
79.05400	23.6
81.06979	69.4
83.04904	100.0
83.08183	3.5
83.08552	55.6
84.63546	3.9
85.10150	3.8
91.05403	8.3
92.10230	15.3
93.06985	47.3
95.08537	72.5
97.06488	25.9
97.10098	16.8
105.06932	5.9
107.08548	53.2
109.06483	28.5
109.10117	38.1
111.04403	27.1
111.08006	23.9
112.80239	4.2
115.07508	4.0
115.57642	3.6
119.08511	5.7
121.10099	34.6
123.08005	19.7
123.11652	21.9
125.05967	6.9
125.09570	4.4
127.07528	4.9
133.10074	14.5
135.08012	14.8
135.11647	20.0
137.05963	18.9
145.10086	5.5
149.13235	59.1
153.12645	3.7
159.11635	16.3
167.14230	15.5
177.12740	21.6
195.13826	7.7
205.19458	5.8
223.20520	70.6
227.07071	3.8
231.15756	26.6
233.18921	17.1
251.19962	23.7
279.19492	87.1
297.20593	65.3
319.26245	15.5
329.24588	6.0
337.27267	18.2
347.25781	80.9
365.26608	21.3
383.27744	32.4
400.30417	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	400.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62687	0.6
53.00262	0.6
54.35915	0.6
55.05181	0.9
55.05450	24.8
57.06997	3.9
58.06517	3.4
63.41706	0.6
67.05433	2.8
69.06646	0.9
69.06989	14.2
70.06509	29.7
71.08538	1.6
72.04425	5.1
72.08060	1.1
74.05968	0.8
75.85590	0.7
81.06989	1.2
82.45164	0.6
83.08530	7.5
86.09644	0.8
88.07555	46.1
91.97866	0.8
95.08526	1.4
97.10088	1.4
102.09114	20.8
114.09088	0.7
132.10156	3.4
150.11227	1.1
181.52585	0.8
226.08820	0.7
303.28363	0.7
338.34119	56.3
339.34613	1.0
344.91791	0.8
348.56653	0.8
382.36835	5.6
400.37766	100.0
401.38193	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	401.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55677	0.4
57.03381	0.6
57.89499	0.4
65.03860	0.5
65.90025	0.4
69.03349	0.9
69.70235	0.4
70.06512	5.0
72.08063	0.8
81.03329	0.7
84.04417	0.8
84.08067	2.5
85.02827	3.2
86.09629	2.5
97.02850	0.6
97.22616	0.5
106.02910	0.5
110.07097	0.8
116.07055	0.8
117.57211	0.5
120.08061	8.9
130.06494	97.5
131.06711	0.6
132.04416	14.9
134.99727	0.5
144.08057	0.6
147.46423	0.5
148.07555	40.5
150.05539	0.5
151.03889	19.5
151.04947	1.3
153.85446	0.4
158.05981	38.5
158.07292	1.2
169.07559	1.7
171.09073	0.5
176.07034	100.0
177.07368	1.0
204.06516	2.0
222.07579	48.7
247.47133	0.5
307.29623	0.6
312.92258	0.5
320.06210	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	11.2
54.01559	5.6
54.81519	4.8
55.01812	8.7
55.05445	10.8
56.04963	6.7
59.04921	14.3
60.04432	8.8
64.33145	5.5
65.64125	4.6
67.05427	8.6
69.03338	35.7
69.06973	26.8
70.06500	100.0
71.04896	8.0
72.08074	23.2
79.05398	33.3
81.03313	11.5
81.06979	97.2
83.04889	37.1
84.04415	12.9
84.08047	40.2
85.02821	39.6
86.08591	5.2
86.09620	64.0
91.05401	47.7
93.06966	91.9
95.04891	35.8
96.50924	5.4
97.02799	10.5
97.06473	12.6
99.92116	6.3
105.06993	14.4
106.02869	61.1
107.04865	11.2
107.08540	24.7
109.02839	22.7
109.06418	53.5
109.10065	8.1
110.07082	10.6
111.04436	6.7
116.07001	10.5
119.04906	33.7
119.08512	11.6
121.06441	7.0
121.10043	6.4
124.03894	85.3
127.07541	9.8
129.10223	22.3
130.06529	9.5
133.10089	28.4
135.11606	10.8
137.05937	63.9
142.17758	6.0
145.02869	9.4
145.10103	7.1
147.04381	32.1
147.11661	30.5
152.25095	5.4
153.04111	6.8
157.10022	6.9
161.09573	7.5
165.05424	8.5
173.09576	7.9
175.11116	23.4
177.05461	10.1
193.12207	29.2
203.10609	6.3
221.11705	35.5
239.12766	60.6
268.08099	22.1
286.27277	6.2
316.11578	6.5
375.52728	7.1
377.52887	6.8
396.78259	5.9
401.17603	91.7
401.28775	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	401.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00235	2.0
53.03873	3.7
54.21647	1.6
55.01804	2.8
55.05438	10.2
57.07013	100.0
62.13697	1.6
67.05421	25.2
69.03352	16.7
69.06983	16.1
71.04901	4.1
71.08183	3.0
71.08543	60.7
72.10014	1.9
73.02812	2.4
73.97980	1.8
75.98258	2.0
77.49927	2.0
81.03343	14.7
81.06972	35.6
83.08546	19.9
85.02833	3.3
85.10100	32.8
92.10828	3.9
92.58984	2.1
95.07969	2.5
95.08534	53.4
97.02218	3.8
97.02822	86.8
97.10074	9.6
99.04379	21.5
105.06950	1.9
109.02814	10.2
109.10113	24.0
111.11655	2.9
122.51871	2.0
123.11637	8.3
127.03863	21.3
189.85706	1.9
230.96721	7.9
239.23651	56.4
244.98041	3.2
267.03366	4.5
296.07602	2.2
335.25638	3.5
377.14658	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3411
Annotation	Spirostan
Peak:m/z	Relative Intensity
50.18671	3.7
51.60266	3.7
55.05461	5.9
57.07005	30.1
64.71265	4.3
67.05428	11.2
69.06989	24.3
71.08545	26.3
79.05417	23.5
80.77155	4.6
81.06979	62.9
85.10110	8.3
91.05428	7.4
92.10922	9.9
93.06989	47.8
95.08527	43.1
97.10090	6.9
102.14092	5.3
107.08528	38.7
109.10106	10.8
111.11647	5.9
112.47308	4.5
121.10106	24.5
121.21558	4.2
125.05978	6.0
135.11661	78.4
152.37494	5.5
163.14799	18.5
177.16345	8.4
180.77190	4.8
275.27411	28.3
328.03131	5.5
401.34149	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	4.3
54.89540	1.0
56.04969	0.9
56.96507	1.9
57.03368	1.8
57.99850	0.8
58.96748	0.9
60.04443	1.0
69.03342	11.6
70.06508	10.1
71.04910	1.4
72.08069	4.8
78.03355	11.6
80.04934	1.8
81.03336	22.2
83.00671	1.0
84.04414	1.9
84.08060	4.1
84.95975	1.0
85.02824	14.2
86.09621	4.1
87.04398	1.7
89.03815	1.0
89.05975	2.8
91.05402	1.1
96.04415	7.4
97.02830	9.8
98.97495	1.4
99.04391	3.7
103.03906	3.9
106.02853	71.3
109.02833	13.6
110.07100	1.5
110.85544	1.0
116.98570	3.7
124.03911	100.0
127.03885	8.1
129.10143	1.1
134.99629	2.3
137.05899	3.5
139.03880	2.1
145.02817	1.6
145.04822	0.9
147.04367	1.4
154.06190	3.8
177.05534	4.1
182.71326	0.9
192.45418	0.9
193.05109	0.9
195.17958	0.9
232.06137	1.4
237.02896	1.2
240.12065	5.3
250.07054	15.0
268.08090	30.5
293.09109	1.9
391.72638	0.9
402.17636	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	402.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02330	0.6
51.34692	0.3
53.03885	4.1
54.13791	0.4
54.81841	0.4
55.01805	0.5
55.05434	0.6
56.96502	0.5
57.03365	2.0
61.02831	0.6
69.03008	0.6
69.03350	13.1
70.06513	3.1
71.04916	3.0
72.08070	0.6
73.02821	0.5
78.03377	12.2
80.04538	0.4
80.04939	2.7
81.03336	25.6
83.04926	0.4
84.08066	1.7
85.02345	0.6
85.02832	12.1
86.09620	0.7
89.05946	0.6
91.05396	0.5
96.04420	7.9
97.02826	6.2
99.04401	3.8
100.17889	0.4
106.02861	74.3
107.11111	0.4
109.02831	11.6
109.06471	0.7
110.07125	0.7
114.37710	0.5
116.07090	0.5
124.03914	100.0
125.04234	0.5
127.03884	5.3
132.54858	0.4
137.05916	0.6
147.04390	1.6
166.04958	1.5
177.05516	0.5
232.05984	0.9
250.07074	14.7
251.10689	0.4
268.08105	28.1
402.13959	5.3
418.91165	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	12.6
57.07012	13.8
57.51473	5.8
67.05426	33.2
69.03342	7.4
69.06971	7.7
71.08546	15.2
73.56803	6.2
76.78165	5.7
79.05404	9.8
81.06960	16.7
82.04443	6.9
83.08569	7.4
84.02162	6.5
93.06961	10.6
93.52573	6.7
95.08524	15.6
97.02810	11.1
99.08030	8.5
105.06944	9.2
106.68649	6.5
107.08546	13.3
109.10101	7.3
133.06458	100.0
197.29680	7.0
205.07040	8.8
353.26715	12.1
402.29312	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	403.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10796	4.2
66.12818	4.1
74.09935	4.2
76.56586	4.9
81.03328	37.9
92.10210	5.9
95.04906	6.3
103.05396	7.8
115.05398	65.3
117.06972	46.3
122.03635	5.8
123.04385	9.2
131.04907	6.7
133.06450	5.9
137.05927	36.9
143.04897	9.5
144.05716	6.7
145.06468	41.9
151.03845	29.6
151.04961	5.8
155.06013	8.8
159.04393	28.9
160.05142	38.0
161.05928	8.5
167.07007	100.0
171.04362	6.3
173.05940	10.0
175.07529	47.4
180.05698	8.0
187.03818	7.2
187.07509	27.9
189.05376	8.1
190.06236	24.4
198.06676	9.9
201.05385	10.6
207.07846	4.8
217.04761	5.5
219.06485	21.9
226.06154	22.2
231.06459	18.0
241.08528	53.6
249.07536	5.5
269.08069	12.4
271.06174	5.0
301.10687	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1961
Annotation	Spionoside B
Peak:m/z	Relative Intensity
51.40969	0.4
51.80569	0.4
52.53974	0.4
53.03878	1.1
55.01797	2.2
55.05448	7.4
55.06330	0.4
57.03371	3.6
57.07010	3.7
59.04923	2.9
61.02849	2.5
67.05424	8.1
69.03347	36.4
69.06988	23.9
70.06496	2.5
71.04893	1.2
71.08519	0.5
72.08056	0.6
73.02809	0.6
78.29031	0.4
79.05405	3.0
81.03317	2.0
81.06976	14.4
81.52494	0.6
83.04897	17.1
83.08537	13.9
85.02341	0.6
85.02829	13.4
85.06464	12.5
86.09623	1.2
87.04388	13.7
91.05401	16.9
93.06973	29.9
95.04906	3.6
95.08533	15.2
95.09137	0.5
97.02805	3.3
97.06469	8.5
99.04372	0.6
99.08019	7.0
101.05956	10.6
105.03357	0.6
105.06969	3.1
107.04901	0.7
107.08538	8.7
109.02827	0.8
109.06472	4.7
109.10089	3.6
111.04395	1.7
111.08025	30.5
115.03873	6.7
115.07543	4.6
117.06959	0.8
119.08484	3.6
121.06443	5.9
121.10117	5.7
123.08015	2.4
123.11644	0.8
125.05938	0.8
125.09569	0.6
127.03855	2.1
129.05438	15.3
129.09074	18.6
133.10109	6.5
135.08029	3.4
135.11664	9.5
137.05984	0.8
137.09593	3.2
139.07506	8.5
143.06999	8.0
144.09273	1.0
145.10071	0.7
147.11656	0.6
149.05945	2.4
149.13263	3.5
151.11136	6.8
153.12633	0.7
157.08562	16.6
159.11674	6.2
165.09108	0.7
165.12752	0.6
171.06509	0.6
177.12706	9.4
185.08092	2.8
187.11047	1.0
193.08556	2.1
195.13768	14.4
205.12161	2.6
213.67566	0.5
223.13216	5.5
241.14288	100.0
242.14670	1.1
243.87131	0.6
253.40639	0.5
384.06946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	3.4
55.01818	1.7
55.05440	1.6
56.96495	1.2
57.07005	1.4
58.09822	0.7
59.04917	1.3
60.04412	0.7
60.70261	0.7
61.02837	1.1
67.05418	4.8
69.03349	14.7
69.06980	4.0
70.06511	7.2
72.08076	5.9
75.21239	0.8
77.39070	0.8
79.05395	4.1
79.50278	0.8
81.03320	1.9
81.06966	3.8
83.04908	10.1
83.06007	0.9
83.08512	0.8
84.04432	1.5
84.08081	2.0
85.02828	7.9
85.06464	1.8
86.09623	8.5
88.40050	0.7
91.05402	19.8
93.06979	81.3
95.04907	14.5
95.08519	3.3
97.02802	4.1
97.06454	1.5
98.97536	7.8
103.05423	3.5
105.04432	1.3
105.06966	4.5
107.08544	4.4
109.06478	3.6
110.07093	5.4
111.08048	1.8
116.98567	7.3
117.06917	1.1
119.08561	1.1
121.06461	100.0
121.10095	4.7
122.06777	0.9
123.08034	1.1
127.07515	8.9
131.08577	1.1
133.10054	1.3
134.99602	4.8
135.07999	1.2
135.11691	1.1
136.07495	1.0
137.09602	1.6
139.07497	3.4
140.58913	0.9
144.08070	1.3
144.09319	1.5
145.10098	1.3
146.99573	1.2
149.09578	4.1
151.03871	1.6
153.09074	1.2
155.10663	1.5
157.10097	1.1
159.08054	1.0
159.11682	9.7
163.11127	1.8
167.07011	1.0
175.10991	1.3
177.00655	1.4
177.12721	1.9
179.10597	1.0
187.11139	3.2
193.12247	1.1
205.12202	30.8
223.00583	0.8
223.13254	13.5
235.19427	1.0
237.02751	4.5
241.14235	1.2
265.18268	0.9
363.09424	1.0
371.41864	0.9
381.10522	2.0
382.19070	0.8
403.19388	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	403.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31581	0.6
57.07013	9.3
60.22808	0.6
61.02848	4.1
63.51197	0.6
63.58942	0.6
66.29635	0.6
67.09445	0.7
68.99708	17.9
71.72937	0.8
84.00191	0.7
87.00755	3.5
111.00760	13.2
129.01793	100.0
139.00237	24.0
141.77737	0.8
157.01286	20.7
181.61765	0.8
185.08031	19.7
213.07578	1.1
217.03462	3.5
259.15274	5.3
272.35101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87421	3.8
67.05431	6.1
79.60201	4.8
81.06960	6.7
86.37597	5.4
98.11423	5.2
109.10058	10.7
110.59973	5.0
147.04131	39.4
175.75839	5.2
318.17831	30.8
319.69571	5.5
403.24265	100.0
403.28928	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	404.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95980	1.7
55.05447	1.8
56.96494	19.2
57.03366	2.5
60.03576	1.5
67.05415	2.9
69.03355	4.4
70.06504	11.6
72.08071	9.1
72.29454	1.9
81.03331	3.0
84.04424	3.5
84.08067	4.2
84.95956	3.8
85.02834	10.4
86.09616	12.0
91.05398	4.3
92.10904	4.1
93.06979	20.2
94.07319	2.8
95.04904	4.4
97.02827	3.1
98.97511	88.7
109.10098	2.3
110.07126	4.4
110.97501	3.7
116.97753	3.7
116.98569	100.0
119.04874	2.1
119.08514	2.6
120.08068	1.9
121.06462	17.8
122.06826	3.8
125.29101	2.2
127.03922	2.2
128.98561	12.1
129.10229	2.8
131.00137	3.6
134.99617	65.4
136.06184	2.2
139.70192	1.9
144.08072	1.9
146.99638	24.9
147.03334	1.8
147.04463	3.0
149.01244	7.7
151.03856	14.8
152.40831	1.8
153.00748	6.7
153.20187	1.8
158.99675	13.9
159.11673	2.6
161.01218	8.2
162.99110	2.6
165.00742	3.3
170.99586	2.5
173.04807	3.1
177.00676	28.2
179.02242	3.1
189.00636	3.8
191.05841	17.2
195.01773	4.6
201.04260	2.6
205.12210	3.6
207.06557	4.4
209.06982	10.9
215.05907	9.8
217.07352	3.3
219.01701	22.5
219.05281	4.6
233.06963	7.9
237.02760	63.4
243.05347	13.0
255.03864	8.2
260.04358	2.6
261.06470	11.9
279.03979	2.9
279.07431	8.4
317.08920	2.8
335.10068	19.3
363.09546	25.6
381.10623	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
65.22614	0.6
69.03364	0.6
70.98811	0.5
84.08066	3.4
85.02870	0.7
91.43322	0.5
103.85812	0.6
106.02876	1.0
106.90440	0.6
112.03683	0.8
114.36642	0.6
116.98591	0.6
118.06513	1.0
120.04431	1.0
124.03963	3.5
129.10225	1.3
130.06494	3.8
132.08080	0.6
146.06009	4.3
153.05179	0.8
157.07584	1.2
171.06290	0.9
188.07008	5.7
215.24272	0.7
220.01543	0.7
224.08908	1.2
239.01083	0.6
242.09912	8.8
269.10547	0.7
275.09637	1.0
287.10944	14.6
333.11374	4.4
404.15204	100.0
405.15430	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	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50953	0.1
53.56175	0.1
56.96485	0.1
57.03091	0.2
57.03374	3.7
61.40836	0.1
62.78230	0.1
65.03870	0.3
69.03340	0.3
70.06512	0.4
71.01261	0.3
72.08079	0.1
73.02834	1.0
75.04395	2.0
79.05422	0.1
81.03341	0.1
82.86285	0.1
83.01270	0.1
83.04895	0.1
84.04415	0.1
84.08065	0.3
85.02827	3.9
86.09618	0.1
89.03856	0.1
91.05406	100.0
92.05726	0.7
92.10239	0.1
92.62129	0.1
93.05469	0.1
93.06960	0.1
95.01256	3.4
97.02839	0.5
99.00748	0.4
101.02315	0.2
103.03886	0.4
105.06991	0.2
107.08545	0.1
111.07979	0.1
113.02305	1.2
116.98588	0.1
119.04890	0.1
119.08543	0.2
123.08026	0.7
129.10220	0.1
131.03349	0.9
137.05954	4.4
137.09581	0.5
141.01801	5.0
147.08064	0.1
149.09589	0.7
155.07060	0.1
159.02888	0.4
163.11201	0.1
165.09042	0.5
171.30132	0.1
189.12759	0.1
193.08568	25.0
194.08908	0.3
207.13843	0.3
211.09621	9.9
212.09921	0.1
225.14755	0.1
234.98981	0.2
255.88965	0.1
301.58746	0.1
351.10562	0.1
363.98422	0.1
369.11664	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96497	0.2
57.03370	4.3
58.12904	0.2
60.58464	0.2
65.03857	0.2
70.06502	0.9
73.02824	0.5
75.04389	1.6
76.06995	0.2
83.04871	0.2
84.04419	0.3
84.08076	0.4
85.02825	3.8
91.05402	100.0
92.05746	0.4
95.01264	1.8
97.02823	0.3
98.98727	0.2
103.05390	0.2
105.06969	0.3
109.06438	0.2
113.02315	0.8
119.04906	1.3
123.11625	0.3
129.10248	0.3
131.03389	0.8
131.08434	0.2
137.05939	4.3
137.06909	0.2
141.01775	2.2
147.04420	1.5
175.03915	1.2
192.04124	0.2
193.08559	25.7
207.06551	1.3
211.09612	5.2
213.04927	0.2
225.07530	0.4
226.29184	0.2
241.76122	0.2
273.57614	0.2
369.11890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81348	1.6
56.96277	1.3
56.96505	22.2
57.03366	1.6
67.05420	6.6
71.95155	1.8
79.05405	2.1
80.20774	1.3
81.06982	1.8
83.08531	1.5
91.05384	2.3
97.09189	1.3
98.97515	95.3
102.60617	1.5
107.08487	1.6
109.10107	2.7
116.98571	100.0
122.03600	7.2
134.99628	71.6
137.05952	66.8
137.52289	1.2
140.00198	2.1
144.74515	1.7
153.00706	12.1
158.01323	2.3
164.12834	1.4
197.01189	3.3
211.02692	1.9
220.00452	1.5
226.11113	16.3
229.14441	1.9
235.02719	31.3
238.01440	6.0
244.12122	22.9
251.74881	1.6
253.03789	95.3
254.04214	1.7
268.12036	1.6
271.04895	8.2
276.05325	2.8
344.15308	2.1
362.16315	2.0
404.17352	70.2
405.17679	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	0.7
55.05455	2.2
57.03375	3.5
57.07005	2.9
61.02863	1.8
63.07117	0.5
63.42558	0.4
63.58587	0.5
65.13882	0.4
67.05437	4.3
68.72356	0.6
69.03345	3.6
69.06995	0.6
70.06510	0.5
71.04922	1.0
75.04384	0.6
79.05400	3.4
81.03324	0.8
81.06978	25.9
83.04893	0.8
83.08541	0.7
85.02827	100.0
86.03167	0.5
87.04422	0.6
91.05406	52.3
92.05712	0.9
92.10318	1.0
93.06973	3.1
95.04900	1.2
95.08530	7.1
95.78967	0.5
97.02845	2.5
105.06981	10.6
107.08529	6.3
109.06461	4.0
109.10104	11.4
111.04359	0.8
115.34844	0.5
117.06912	0.7
119.04932	1.0
119.08529	12.5
121.06490	0.5
121.10087	8.4
123.08040	2.4
123.11658	88.2
124.12012	2.1
125.05959	8.2
125.09586	0.8
127.03884	0.8
130.07794	0.8
131.08507	2.7
133.06454	1.2
133.10132	0.8
137.05946	3.1
140.79643	0.5
141.01834	1.0
141.05453	1.0
145.04964	1.1
145.10110	6.6
147.04417	0.9
147.08037	2.8
147.11673	14.2
149.09610	7.1
151.07526	2.4
156.09326	2.8
159.07977	0.6
161.13240	0.8
163.11172	0.9
165.12755	1.2
169.08530	0.9
171.11557	0.9
174.10382	1.8
175.03818	1.7
189.12723	14.5
193.08560	13.0
194.08987	0.7
207.06540	3.4
207.13770	35.6
208.14267	0.7
211.09566	2.8
225.14786	9.9
321.91754	0.5
369.11575	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	2.8
55.05452	22.8
57.03374	32.4
58.49329	3.0
59.04926	2.8
64.44685	3.1
65.03876	3.8
67.05428	66.0
69.06995	24.8
71.04905	20.6
79.05413	64.0
79.26376	3.3
81.06987	91.9
83.08538	7.6
85.06475	6.4
87.21347	3.1
91.05398	38.3
93.06977	79.7
95.04887	7.7
95.08537	72.1
97.06465	7.2
97.10069	4.5
99.08038	4.2
103.76116	3.2
105.06978	30.3
107.08541	44.0
109.06474	5.8
109.10119	21.9
117.06966	15.2
119.08556	30.1
121.10099	30.3
123.08022	6.5
123.11641	4.4
131.08540	24.3
133.10092	20.5
135.11671	19.4
143.59798	3.8
145.10092	13.0
147.11679	21.3
149.13257	14.2
159.11659	7.2
161.13181	6.6
163.14848	4.1
173.13297	4.7
187.14790	3.9
189.16443	5.2
195.96799	3.5
259.20551	7.3
277.21597	21.6
290.43802	3.4
351.25253	24.1
369.26358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	0.4
57.07014	4.8
58.85492	0.5
61.75774	0.4
65.89489	0.4
66.63377	0.4
67.05424	1.0
70.06503	0.6
71.08551	1.1
73.56396	0.4
81.06979	1.0
85.10083	0.9
88.07532	0.5
91.00378	0.4
93.06966	0.9
94.55679	0.4
95.08533	2.0
102.09105	0.7
103.05398	5.3
103.52382	0.4
107.04918	1.7
109.10119	0.6
116.07058	0.5
120.08060	100.0
121.08390	0.6
124.49714	0.4
125.77853	0.5
131.04889	2.2
149.06000	0.8
166.08594	19.4
219.17491	0.6
341.36111	0.6
373.86240	0.4
403.39569	2.6
404.32742	0.8
404.39526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59018	1.5
84.48972	1.9
121.10131	2.2
140.90482	2.4
153.21284	2.1
405.34476	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67709	1.7
54.29458	1.5
55.05444	3.4
56.04984	2.3
56.96495	3.0
57.26982	1.4
67.05408	2.4
69.03350	8.3
70.06511	21.6
71.04902	1.7
72.08067	3.8
74.06000	2.2
81.06990	3.7
83.04874	2.9
83.44267	1.7
84.04426	8.2
84.08060	13.9
85.02843	9.7
85.19971	1.7
85.26043	1.9
86.05982	9.0
86.09644	2.3
91.05387	2.1
93.06952	2.7
95.08572	2.1
97.02843	1.9
98.97495	2.1
102.05511	2.7
105.06936	2.6
107.08493	2.5
110.07130	9.7
113.07084	2.5
113.55173	1.8
116.98587	2.6
119.08515	1.9
121.10136	2.5
129.10229	9.4
130.06448	2.3
133.10115	3.8
134.99652	2.3
162.03726	2.0
198.05173	14.7
200.49561	2.0
205.92525	1.9
211.62610	2.0
244.05763	75.0
263.32571	2.0
263.90961	2.0
406.11038	100.0
406.16400	4.4
406.21692	2.4
407.11285	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	406.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37476	0.7
53.00229	1.1
53.03888	0.8
55.05445	8.0
56.96502	10.0
57.03356	3.9
59.94727	0.9
65.03880	0.9
67.05418	6.1
68.22178	0.9
69.03342	7.6
69.06982	10.2
70.06505	21.0
71.04910	14.4
72.08056	6.4
73.02834	1.2
74.28000	0.8
79.05398	20.5
81.03304	1.8
81.06958	8.1
83.04893	2.3
83.06019	2.0
84.04424	15.8
84.08073	2.2
85.02830	12.3
86.09608	2.6
87.48314	1.1
91.04839	1.5
91.05399	32.9
92.05737	5.9
93.06965	24.0
95.01261	1.0
95.04881	8.3
95.08537	5.9
96.04420	1.4
97.02805	2.2
97.06459	2.5
98.97509	36.5
99.04365	1.5
101.07054	1.2
103.05474	1.1
105.06972	35.0
107.04887	7.4
107.08532	42.3
109.06465	4.3
109.10105	1.8
110.07130	1.4
111.04387	2.2
116.98559	39.9
117.06965	4.5
119.08537	28.6
121.02798	12.9
121.06451	18.1
121.10091	18.3
123.07996	1.5
124.03872	4.8
125.05949	5.7
127.03886	1.3
130.05000	1.7
130.07770	2.1
131.08525	100.0
132.08910	1.5
133.06453	1.4
133.10089	19.7
134.99629	29.3
135.08000	2.1
135.11688	4.6
137.05927	1.4
139.07544	1.1
143.08540	1.9
145.05006	1.2
145.10092	30.8
146.99672	1.4
147.04500	1.0
147.07976	2.5
147.11681	9.6
149.05881	2.1
149.09581	44.8
149.13248	1.1
153.00664	3.8
153.05464	4.3
158.99605	11.1
163.11134	15.0
165.09099	2.5
167.07072	2.0
167.10596	1.6
173.09581	1.6
173.13196	9.9
175.14786	42.5
177.00655	19.4
182.12872	1.8
183.11298	1.7
183.15054	1.2
191.10626	23.2
191.14255	2.4
193.46149	1.3
195.01762	1.6
201.07840	1.3
203.02747	1.0
203.05922	8.1
209.11694	82.7
210.12128	1.8
217.07423	1.2
219.01740	1.9
221.06924	11.9
237.02841	1.4
245.06874	9.0
263.08005	2.0
267.15924	1.1
269.08182	1.2
286.13394	1.0
362.50656	1.2
365.10983	5.6
383.12170	4.5
407.12042	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	406.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71562	1.7
53.03871	2.5
53.31245	1.5
55.01807	4.5
55.05439	7.9
56.96497	3.0
57.03362	4.9
57.07013	3.7
67.05421	5.0
69.03349	21.6
69.06992	16.0
70.06512	35.4
71.04897	11.3
72.08066	3.4
76.02134	2.6
76.03722	1.8
79.05407	24.4
81.03349	3.5
81.06966	11.2
83.04893	7.7
84.04414	4.2
84.08060	5.0
85.02836	13.5
85.06461	2.3
86.09625	10.6
91.05402	26.5
92.64241	2.3
93.06981	26.0
95.04892	3.6
95.08548	3.0
97.02806	3.8
97.06454	4.4
99.04432	2.4
100.07513	2.8
105.06973	54.2
105.75916	1.9
107.04913	9.9
107.08538	43.4
109.02814	3.1
109.06474	2.8
112.44478	2.2
116.06111	2.6
116.98588	3.4
117.06950	10.5
119.04889	2.2
119.08541	71.5
120.08138	5.4
120.08883	2.7
121.06458	20.7
121.10107	27.7
123.08028	3.5
125.09641	2.2
127.03883	3.2
129.06973	8.0
129.10207	3.0
131.08528	100.0
134.99634	2.5
135.08041	4.0
135.11656	8.4
137.05840	2.1
143.08533	3.8
145.10121	30.5
147.11673	49.4
149.05954	3.7
149.09610	54.6
153.05466	4.6
160.37460	2.2
163.11128	13.4
165.12744	2.6
167.06979	11.4
173.09506	3.3
173.13194	11.4
191.10735	18.7
191.12560	3.0
191.14224	33.6
191.15602	2.2
205.02071	2.5
209.11700	83.2
209.15204	3.4
217.24313	2.5
259.10980	4.3
351.95416	2.0
353.58099	2.1
395.71030	2.2
406.13336	2.1
410.72842	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	406.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	3.1
56.96500	7.7
57.03382	1.2
57.07011	5.0
67.05429	16.6
69.06474	1.1
69.06979	10.9
69.81215	1.1
70.06511	15.7
71.08556	1.5
79.05399	5.9
81.06976	14.8
83.08519	1.4
88.07558	7.8
88.11402	1.2
88.13221	1.3
91.05400	1.3
93.06977	5.1
94.04118	6.5
95.08541	8.7
95.53908	1.3
96.85938	1.3
97.10123	2.4
98.97506	5.2
102.09126	6.2
105.03337	1.5
107.08543	3.2
109.10136	5.2
116.98586	7.0
118.98972	1.7
119.08540	1.5
121.10125	3.0
122.03632	14.8
124.09600	1.4
133.10060	2.0
134.99684	9.2
137.05954	100.0
138.06348	5.8
139.06580	1.8
149.02356	1.7
196.97633	1.3
197.01138	2.4
212.23814	2.3
215.02252	2.3
226.11116	10.0
244.12192	7.9
254.04031	2.0
255.03981	2.5
256.26337	15.4
259.01184	1.6
261.21909	1.5
267.01855	3.0
279.23267	5.7
285.02805	2.2
300.28912	11.5
344.31552	6.5
353.26749	8.5
371.27774	5.6
386.63519	15.9
388.34021	2.1
406.17715	5.1
406.35168	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00239	1.5
53.29276	0.9
54.81699	0.9
55.01809	2.0
55.05449	19.4
57.03367	6.0
57.07010	23.6
58.06531	1.7
59.04917	1.0
62.08941	1.0
67.05428	70.7
69.06992	21.4
69.62231	1.0
70.06505	28.7
71.04897	5.0
71.08546	26.9
72.08076	1.7
79.05411	28.8
81.06976	100.0
83.04891	4.8
83.08533	14.3
84.08066	4.5
85.06450	2.2
85.10105	23.0
86.09630	5.2
88.07549	2.4
89.05946	1.4
91.05402	23.7
93.06974	37.0
95.04890	2.0
95.08530	74.0
97.06467	4.2
97.10091	5.1
99.08030	18.5
105.06970	18.4
107.08535	20.2
109.06473	1.7
109.10099	22.2
109.37366	1.1
111.07974	4.0
113.09586	21.3
114.09107	2.2
117.06974	6.0
118.26739	1.5
119.08541	11.8
121.10105	16.3
123.11664	8.7
131.08553	13.0
132.10170	7.7
133.10085	13.3
135.07988	1.4
135.11618	8.9
137.13219	5.7
139.11136	1.9
145.10091	5.2
146.10747	1.2
146.11734	8.1
147.11685	12.3
149.09645	1.7
149.13216	8.3
151.11153	1.5
151.14827	1.9
159.11710	4.6
161.13266	6.7
163.11124	2.4
163.14783	6.7
165.12752	4.5
167.14267	4.0
173.11740	1.8
173.13203	5.6
175.14891	1.3
177.16270	2.2
179.14160	3.4
181.15825	1.6
209.15488	2.2
212.23801	1.9
215.90236	1.1
229.14264	4.3
233.22537	1.3
243.15926	2.0
243.21059	6.1
256.26407	1.7
261.22125	12.6
279.23141	41.8
297.24005	1.2
300.25616	2.2
300.28915	44.2
320.11740	1.1
327.57465	1.3
344.31583	23.9
353.26822	52.9
371.27853	45.7
372.28275	1.6
403.73984	1.4
406.35187	69.6
407.35724	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	406.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05425	1.4
56.96496	1.4
57.07008	10.7
57.47179	1.2
62.41883	1.1
65.69362	1.3
66.62637	1.3
67.05431	1.7
70.06508	21.3
71.08538	1.9
71.19089	1.2
72.08052	2.0
84.08052	2.6
88.07549	20.0
89.05949	1.9
92.10913	2.6
93.06963	2.3
93.89755	1.2
102.09094	3.0
103.75376	1.7
114.09122	11.2
126.23643	1.8
132.10165	20.4
133.21783	1.4
176.12769	13.6
220.15474	2.7
238.16423	5.6
243.13983	1.4
256.26224	10.2
274.27429	1.6
300.28806	2.7
376.14136	1.5
406.35159	100.0
407.23737	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	407.122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81823	1.3
55.05452	2.6
56.96238	1.6
56.96505	29.8
57.03388	2.6
67.05424	2.0
69.03354	2.5
69.06988	6.3
70.06511	17.5
71.04911	4.8
72.08065	6.5
79.05405	7.5
81.03362	2.1
81.06985	10.0
83.04913	4.5
84.04419	7.8
84.08096	2.5
85.02847	6.5
86.09621	4.5
87.24204	1.1
91.05404	32.7
92.05727	8.5
93.06988	11.7
94.06468	1.3
94.07307	1.2
95.04909	4.6
95.08543	4.8
97.02836	1.5
97.06440	1.1
98.97517	90.4
103.05409	1.2
105.06984	13.2
106.02854	2.2
106.07360	1.0
107.04908	2.5
107.08540	14.5
108.08855	1.5
109.06520	1.8
109.10159	1.3
110.07158	1.0
111.04420	2.3
116.98577	100.0
117.06977	2.2
119.08555	12.9
120.08046	1.2
121.02842	5.3
121.06467	6.4
121.10102	7.2
122.03166	1.3
123.08016	1.8
124.03908	5.9
125.05927	1.3
128.06219	1.2
128.31680	1.0
128.98636	1.5
129.07007	1.2
129.10248	1.5
130.05037	1.3
131.00174	1.7
131.08540	35.5
132.08830	7.7
133.10115	8.9
134.98599	2.0
134.99632	60.9
135.11676	1.4
137.05948	1.5
145.10066	11.8
146.10449	1.5
146.99646	4.8
147.11684	2.7
149.01242	1.5
149.09599	13.2
150.09962	2.1
153.00690	10.0
158.99623	29.0
161.01151	1.3
163.11162	4.3
173.13245	2.3
175.14796	13.8
176.15157	2.6
177.00676	54.7
185.04846	1.5
191.10652	5.7
191.14217	1.2
195.01772	7.2
200.02202	1.5
201.07973	2.1
203.05894	24.6
209.11694	20.8
210.12106	7.1
219.01740	6.9
221.06970	34.9
237.02699	2.3
245.06937	22.5
263.07947	11.5
268.08179	1.6
287.03616	1.1
287.08017	4.9
305.08908	2.2
323.09790	1.2
365.11237	17.4
375.23618	1.3
383.12259	10.3
407.11975	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.156
Annotation	Trp-Asp-Ser
Peak:m/z	Relative Intensity
55.02589	0.8
59.06064	0.9
60.04165	0.9
60.04457	25.1
69.03321	1.5
70.02866	7.7
70.06506	1.0
71.01276	1.4
71.87656	0.8
84.04418	1.7
85.02830	1.8
85.03949	47.0
85.04462	1.5
86.47436	0.9
87.05518	8.2
88.03883	3.1
98.02323	1.2
115.04993	64.6
116.05270	1.0
117.05725	1.0
118.06464	4.1
121.02808	15.9
122.03130	8.0
130.06496	24.6
132.08055	100.0
133.08388	1.8
142.06479	12.5
144.08063	18.0
156.08049	7.0
157.07532	1.6
158.05943	3.9
158.08363	29.7
159.09138	77.5
160.07533	11.9
160.09486	1.2
169.07585	17.8
170.05981	26.2
181.07402	1.0
183.09152	21.2
185.07054	1.6
187.08623	44.7
199.08630	1.4
201.10231	6.5
211.08641	1.3
213.07555	1.2
213.92767	0.9
215.92172	0.9
219.13672	1.0
219.67882	1.0
228.11301	1.2
229.09702	1.1
246.12314	48.0
247.12495	0.9
274.11780	40.6
303.09711	3.8
309.69522	0.9
320.12210	1.6
364.66339	0.9
408.12933	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1558
Annotation	Trp-Asp-Ser
Peak:m/z	Relative Intensity
50.26265	1.9
55.40322	2.0
56.96502	2.4
57.80659	2.1
60.04459	29.3
60.14675	1.9
70.02861	10.2
70.06506	2.7
73.63403	2.1
85.02840	3.6
85.03956	45.9
87.05521	5.1
88.03915	2.5
93.05737	2.0
98.97514	4.5
100.31011	2.3
101.90983	2.8
110.95212	2.0
111.04371	2.5
113.91530	2.5
115.04996	66.2
116.98551	5.0
117.05734	3.4
121.02824	83.7
122.03170	40.8
130.06491	28.2
132.08058	100.0
134.99597	4.0
141.01772	2.7
142.06465	4.6
144.08018	20.3
146.99619	2.4
156.88382	2.4
158.05998	3.2
158.08347	28.2
159.09146	71.1
160.07596	4.9
169.07549	19.9
170.05986	23.0
183.09160	14.0
187.08638	44.7
198.80048	2.6
213.07616	9.3
214.07852	4.2
237.02753	4.9
246.12326	50.1
274.11835	33.7
279.07504	12.9
297.08588	3.4
303.09753	3.3
407.09378	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	407.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70274	22.5
51.53905	20.8
53.63762	18.4
53.83111	20.4
58.83295	19.4
66.75163	19.6
68.80473	20.9
92.31274	23.7
95.08487	34.1
103.64255	23.8
103.74097	23.2
121.04874	22.5
145.26059	20.8
146.57983	23.6
158.28046	23.3
158.89885	22.8
183.84836	24.0
188.69882	21.6
225.26486	35.0
240.10463	24.8
375.71353	27.2
399.94809	26.1
407.21817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96489	2.3
62.65673	1.7
64.32848	1.9
72.57182	1.5
74.16476	1.6
91.05385	1.6
102.84122	1.7
122.39390	1.8
124.26936	1.6
127.00477	1.7
129.83672	1.7
136.36543	2.1
165.13416	1.6
223.54988	2.0
238.63614	1.9
321.16501	2.4
325.97760	1.8
351.87814	2.3
402.97888	2.0
407.23981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46673	0.2
56.96495	0.3
59.45334	0.2
70.06504	0.3
76.55402	0.3
79.05385	0.4
80.43608	0.3
81.03340	0.3
84.04431	0.4
91.05410	0.4
93.06962	1.6
95.04919	0.4
96.04437	0.3
103.05396	6.3
107.04877	1.7
110.02332	0.3
110.07065	0.4
110.43044	0.3
115.05000	0.3
117.05421	0.6
120.08050	100.0
121.08388	1.3
127.04988	8.4
131.04863	2.9
136.07574	0.4
149.05962	1.6
166.08591	21.8
167.67500	0.3
317.96939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33314	0.1
52.06070	0.1
53.03872	0.2
55.01797	0.2
61.02833	0.6
69.03358	1.1
70.06505	0.2
78.04614	0.3
79.05405	0.5
81.03338	0.7
81.06973	0.1
84.04408	0.2
85.02828	3.9
91.05408	0.6
93.06979	1.0
95.04893	0.6
97.02834	0.9
103.05391	0.6
105.06937	0.7
106.04103	0.7
107.04909	0.9
109.02825	0.2
109.06444	0.1
109.73003	0.1
110.07138	0.2
121.06470	2.0
123.04385	2.3
124.05164	0.8
127.03902	0.2
133.06427	0.8
137.05923	0.3
138.78983	0.1
145.04799	0.1
149.05968	2.3
151.03813	0.4
152.04669	1.2
161.05939	0.8
166.06253	0.6
167.07005	100.0
168.07344	1.7
168.08633	0.2
179.06902	0.2
181.08574	2.3
181.59042	0.1
193.08589	2.1
195.79861	0.1
211.09625	6.8
212.77771	0.1
229.10680	6.3
299.56537	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	408.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47654	0.6
53.03880	0.7
55.05451	5.9
55.36587	0.8
56.04958	1.0
57.06998	1.7
62.06033	0.8
67.05434	7.0
69.03350	1.0
69.06995	7.1
70.06509	16.1
71.04894	1.6
72.08066	3.1
77.32052	0.7
79.05008	0.7
79.05402	6.6
81.06964	7.5
83.04897	5.0
83.08512	1.1
84.04432	5.2
84.08073	9.0
85.02827	6.7
85.06459	1.5
86.09623	3.6
91.04898	1.4
91.05406	26.8
93.06962	9.8
95.04910	7.7
95.08521	1.9
97.06509	0.9
100.07524	1.6
105.06970	27.1
107.08538	5.3
109.02846	1.3
109.06443	9.1
109.10110	2.9
110.07122	3.3
116.98600	1.2
119.08528	6.6
120.08041	1.7
121.10116	1.0
123.08000	1.3
124.03884	0.8
125.05949	4.3
127.03893	1.3
129.10179	1.4
131.08539	11.1
133.10095	100.0
137.05939	3.6
145.04956	0.8
147.11639	11.6
149.09508	1.0
151.07532	1.4
151.11145	15.2
155.06978	5.0
157.10097	1.1
175.11188	5.7
193.08475	1.1
193.12201	26.4
209.11923	0.9
211.13263	15.4
229.10672	0.9
255.58908	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03358	1.1
53.33208	1.1
55.05439	2.2
57.06736	1.7
57.07009	46.2
69.06976	1.8
71.08542	33.7
73.06458	2.4
81.01833	2.4
82.62680	1.3
85.10103	14.5
89.05952	100.0
94.02622	2.1
103.23891	1.3
107.06987	6.8
133.08566	25.0
151.09576	2.2
177.11159	3.3
195.12236	30.4
221.17557	1.5
250.17688	1.8
265.33832	1.5
319.90698	1.6
391.34103	29.6
392.34433	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	409.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13612	0.5
55.05450	0.7
56.96491	1.0
57.03366	0.7
58.42994	0.6
58.86417	0.5
58.86779	0.5
61.13381	0.5
65.06216	0.5
65.07906	0.5
65.33462	0.6
67.05418	1.3
68.82484	0.5
69.03345	0.8
69.06957	0.9
70.06502	4.2
71.04882	0.6
72.08077	2.4
79.05404	2.3
80.15346	0.6
81.03361	0.8
81.06970	2.8
84.04429	1.3
84.08053	2.6
85.02826	1.1
85.06464	0.8
86.09641	1.3
91.05399	3.4
93.06983	2.3
95.04874	0.9
95.08527	1.2
97.02810	0.8
97.06489	0.9
98.97511	1.2
105.06985	2.2
106.02837	1.1
107.08533	2.3
109.02843	0.9
109.06452	0.6
109.10149	0.6
110.07118	0.9
116.98559	1.3
119.08543	1.0
120.08083	0.6
121.10128	0.7
124.03873	2.1
125.09638	0.8
128.78967	0.6
131.08453	0.5
133.10051	0.7
134.05951	0.7
168.23511	0.6
168.43109	0.5
174.29108	0.6
180.13896	0.7
233.07770	8.0
409.10950	100.0
410.11017	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	0.7
57.03376	0.5
57.90081	0.5
60.08082	0.4
67.05424	1.2
69.03335	2.8
69.06992	1.0
70.06507	6.6
71.04901	0.7
72.08042	0.9
72.49425	0.6
74.56400	0.5
79.05416	1.0
81.06987	1.0
84.04417	2.3
84.08080	3.9
85.02834	1.1
85.06469	0.7
86.09615	3.1
86.63230	0.5
91.05412	4.0
93.07007	1.8
95.04897	3.6
95.08539	2.3
97.02811	0.7
105.06937	2.2
107.08522	0.7
109.06432	1.2
110.07087	0.5
119.08552	0.9
120.08070	3.2
124.03900	1.2
125.09577	3.2
129.10213	1.0
131.08609	0.5
133.10062	3.6
134.10414	0.6
135.07956	0.5
136.07533	1.3
147.04370	0.6
193.12216	1.2
222.21156	0.5
233.07803	2.1
409.10956	24.1
409.18161	100.0
410.10986	0.9
410.18613	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	409.183
Annotation	Tafluprost (free acid)
Peak:m/z	Relative Intensity
57.10704	0.4
69.03370	0.5
69.06963	0.5
69.15366	0.3
70.06506	1.9
76.56033	0.4
84.04440	0.5
84.08064	0.7
86.09632	0.7
91.05420	0.6
95.04887	0.4
105.06963	0.6
107.04922	0.4
109.06435	0.5
120.08081	0.4
125.09530	0.5
133.10092	0.7
171.39458	0.4
197.46263	0.4
204.85010	0.4
210.30762	0.4
266.07336	0.4
409.11154	7.6
409.18253	100.0
410.11255	0.4
410.18643	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17140	6.9
61.76420	8.4
65.01658	8.9
66.20900	9.0
67.05418	12.3
68.65704	8.4
81.06958	18.0
92.86017	8.3
93.06951	11.6
95.08539	8.9
109.10019	8.3
113.59352	9.4
133.10178	12.5
157.60342	10.4
189.62625	9.8
228.80392	9.7
237.54573	8.5
245.55923	8.7
315.99652	9.0
317.09537	10.8
409.23334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79135	0.8
62.04144	0.8
81.06951	1.0
85.62961	1.1
94.51305	0.9
147.48921	0.9
150.44711	1.1
244.37038	1.0
409.25507	100.0
410.25830	1.8
411.36191	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
85.25636	0.9
89.37147	0.8
92.10281	1.3
98.96630	1.0
109.41849	1.0
121.46816	0.9
129.17120	0.9
138.44456	1.1
176.98271	1.1
218.11052	1.0
292.13525	1.0
374.72244	1.1
409.25522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30008	1.1
61.40718	1.1
64.32965	1.1
67.05442	1.2
81.06998	2.2
92.10896	2.6
92.63277	1.1
95.08579	1.4
133.10023	1.3
241.07849	1.3
409.25528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77833	0.5
52.85144	0.5
55.05456	5.0
56.04964	3.1
57.07006	0.6
59.42783	0.6
63.41180	0.6
65.03870	0.6
67.05429	14.6
68.86058	0.4
69.06989	4.5
72.82133	0.6
79.05399	3.3
81.06969	12.7
83.04940	0.7
83.06026	27.5
83.08534	1.1
83.79234	0.6
84.04428	100.0
89.56217	0.6
91.05406	2.6
93.06965	3.9
95.08528	8.7
97.10014	0.6
101.07088	8.4
102.05486	4.3
105.06966	1.5
107.08521	1.4
109.10109	3.3
119.08533	0.7
121.10124	0.9
123.11608	0.7
129.06555	24.1
130.04967	88.8
131.05281	0.8
133.10114	1.2
137.13229	0.7
144.74040	0.6
147.07625	19.3
162.25656	0.6
236.23146	0.6
251.00145	0.6
254.11188	0.6
263.23590	4.5
273.93237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	5.9
57.07000	1.3
59.47511	0.6
67.05421	19.5
68.41888	0.6
69.03330	0.9
69.06992	6.4
69.07287	0.6
71.08522	0.7
79.05392	4.4
81.06974	13.2
83.08507	1.5
88.52976	0.7
89.05942	1.3
91.05404	5.5
93.06953	11.5
95.04859	1.3
95.08524	18.1
97.10070	0.8
100.57624	0.7
105.06971	14.9
105.57540	0.8
107.08527	11.7
109.10104	25.3
119.08531	10.9
120.53391	0.7
121.10098	5.9
123.08016	13.8
123.11614	1.4
131.08508	0.9
133.10101	5.4
135.08060	5.5
135.11644	3.2
145.10039	3.0
147.11661	9.7
149.13229	1.4
151.07516	100.0
152.07828	3.6
158.79782	0.7
161.13217	4.9
163.07481	0.8
163.11142	1.7
163.14856	0.9
165.09068	4.4
173.09587	1.1
174.28711	0.8
175.07521	1.4
175.14751	2.8
176.08304	1.0
177.09090	0.8
189.09103	3.1
189.16353	3.6
191.10641	25.4
191.17838	1.2
192.10898	1.1
203.17928	8.3
217.19385	1.0
327.23062	1.0
394.96310	0.9
409.30890	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	409.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13710	1.0
54.42977	0.9
55.05439	3.0
57.07008	1.8
60.56118	1.1
67.05420	13.3
69.06989	12.5
76.90694	1.1
78.71767	1.2
79.05402	5.9
81.06979	23.4
83.08548	2.2
89.05931	1.8
91.05391	2.7
92.10296	1.5
93.06979	10.9
94.07271	1.2
95.08015	1.7
95.08533	19.1
99.27531	1.3
105.06983	16.0
107.08535	14.1
109.10094	12.4
119.08557	14.8
121.10091	10.2
123.08044	12.6
123.11640	2.4
131.08487	1.3
133.10068	11.2
135.07997	2.4
135.11644	6.3
145.10098	2.9
147.11656	8.3
151.07518	100.0
161.13219	8.9
165.09013	2.6
177.09129	1.8
189.09106	1.9
189.16345	1.6
191.10652	16.8
203.10583	1.5
203.17949	9.8
209.85652	1.5
266.14893	1.4
409.30823	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	409.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	3.7
55.05451	14.2
57.06731	3.7
57.07012	100.0
57.73380	1.5
60.12200	1.6
67.05422	4.1
69.06979	14.6
71.08546	65.1
79.05416	7.9
81.06969	14.1
83.08550	4.0
85.10104	30.9
89.05950	26.7
91.05406	9.7
93.06978	18.3
95.04878	2.9
95.08541	12.5
97.10102	4.0
99.11678	2.3
105.06977	11.2
107.08543	16.1
109.06441	2.2
109.10124	8.6
116.76176	1.7
117.06952	3.0
119.08540	11.9
121.06447	3.7
121.10075	9.6
122.08334	1.8
123.07993	2.7
131.08511	7.7
133.08554	8.3
133.10120	3.1
135.08000	10.5
135.11659	2.0
137.05978	4.1
139.07561	2.7
145.10074	7.3
147.08037	4.3
147.11679	2.9
149.05981	8.0
149.09636	7.3
150.42741	2.1
151.07524	40.9
153.09082	2.1
159.08072	2.3
159.11665	4.4
163.07520	19.2
163.11234	2.0
165.09081	26.4
173.09541	3.5
177.09055	25.0
179.10667	3.8
184.95280	1.8
187.11194	3.9
191.10632	12.4
191.66422	2.3
193.12234	3.7
195.10576	1.8
195.12192	15.5
201.12772	7.6
203.10703	2.0
205.12169	3.8
215.14313	3.6
219.13826	3.5
233.15370	3.3
237.14769	3.0
239.77272	1.7
247.16960	3.1
252.55444	2.1
314.91791	2.1
409.30444	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	409.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	10.3
55.52146	1.7
57.07006	4.7
65.11642	1.8
67.05444	3.8
68.67716	2.0
69.07004	14.1
71.08546	45.7
79.05383	3.1
80.83637	1.7
81.06965	16.1
83.08529	3.3
86.09637	3.4
88.11196	98.3
89.05959	18.9
91.05399	3.9
93.06963	11.0
95.08535	16.3
99.08017	3.8
105.06976	4.2
107.08537	9.3
109.06446	7.7
109.10115	10.4
114.09074	2.0
115.67796	1.9
119.08533	3.8
121.10030	3.2
133.08606	4.9
135.11655	2.7
137.09586	2.4
151.07458	3.7
162.39737	2.0
165.12714	4.9
170.15347	2.7
184.16946	2.6
195.12210	11.1
203.10617	2.5
257.19147	2.4
280.26126	4.0
291.23187	7.8
363.49677	2.3
378.28864	4.4
378.33560	100.0
379.33942	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	410.2899
Annotation	Malyngamide W
Peak:m/z	Relative Intensity
53.00254	0.4
53.03878	0.4
55.05447	4.8
55.62466	0.5
56.04970	3.8
57.07003	2.1
67.05429	16.5
69.06989	4.5
79.05404	3.9
81.06979	16.2
81.94942	0.5
83.08533	1.9
84.04429	100.0
85.02828	2.3
89.05931	0.5
91.05404	2.7
93.06969	3.9
95.08527	12.4
97.68354	0.5
98.98387	0.6
102.05480	29.5
105.06976	3.0
107.08542	2.6
109.10123	4.5
119.08554	0.9
121.10106	1.1
123.11674	0.9
130.04968	48.3
133.10132	0.8
147.11685	0.6
148.04825	1.0
148.06024	31.9
161.13199	0.6
180.10414	0.5
245.22633	0.9
263.23553	1.9
338.16806	0.6
342.33734	0.5
349.12631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73815	1.0
51.90540	1.3
52.25054	1.1
55.05440	2.5
55.18757	1.2
59.14135	1.3
61.69341	1.3
66.59098	1.2
67.05424	10.4
69.06988	20.6
79.05399	9.2
81.06974	44.0
81.07734	1.4
91.05389	1.5
93.06965	12.4
93.99069	1.3
95.08538	24.9
105.06961	8.5
107.04897	6.3
107.08527	9.8
109.10098	11.4
118.28036	1.4
119.08532	2.8
121.06423	1.6
121.10086	5.8
122.07245	10.7
123.08025	12.2
123.11635	2.5
133.10072	2.5
135.08038	8.3
135.11633	2.7
137.13231	1.7
150.06714	26.9
151.07518	100.0
152.07884	2.6
163.07497	6.3
165.09067	2.8
173.09706	1.8
175.07507	2.5
175.11037	2.2
177.09007	2.2
189.09082	18.2
190.09779	2.2
191.10596	20.8
192.11087	1.9
203.10593	6.1
204.10942	2.1
238.15410	1.6
283.10440	1.5
407.27713	1.6
410.31586	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10794	1.1
55.64742	1.3
58.49891	1.6
68.36687	1.2
72.08052	9.5
75.05338	1.4
89.03828	8.2
89.10697	2.7
89.81175	1.4
91.05408	3.6
92.10852	1.9
105.16457	1.3
117.03328	44.9
119.04890	24.8
135.04379	5.7
145.02834	100.0
147.04398	69.9
147.05412	1.7
148.43875	1.7
149.05962	14.4
177.05432	94.6
218.11694	1.7
235.14433	17.0
265.15341	15.6
411.19034	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	411.2505
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
53.00227	1.4
55.05445	8.6
55.10721	1.3
57.03387	14.0
57.06733	3.3
57.07011	70.0
65.74567	1.6
67.05424	16.1
69.06973	8.8
71.08544	44.0
73.81100	1.8
76.86533	1.4
81.06971	20.5
83.08539	10.0
83.74551	1.6
85.10107	20.3
91.23192	1.7
95.08539	32.5
97.10123	7.0
98.73539	1.9
98.98398	100.0
109.10107	9.8
116.99464	7.4
123.11691	2.5
125.25918	1.8
155.01012	67.9
218.52371	1.8
237.55573	1.7
239.23668	10.7
288.38190	1.6
313.27292	31.7
346.44635	1.7
347.22302	1.8
367.46539	1.8
393.23947	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	411.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03892	2.6
55.01805	4.6
55.05446	34.9
56.04953	3.5
56.46624	2.4
56.96489	2.7
57.03361	13.2
57.06984	5.3
57.15113	2.1
57.59125	2.4
59.04945	2.9
61.02846	4.1
67.05415	51.2
69.03336	12.0
69.06986	39.7
70.06499	34.4
71.04889	18.1
71.41147	2.5
72.08058	33.5
79.05410	47.1
81.03351	5.1
81.06510	4.3
81.06973	100.0
83.04894	4.4
83.08521	6.1
84.04419	3.6
84.08044	6.7
85.02804	17.2
85.06457	23.4
86.09608	15.8
86.85546	2.3
87.04352	3.7
91.05408	28.8
93.06966	53.0
95.04890	45.6
95.08533	86.6
97.02772	2.9
97.06459	13.6
97.10059	4.0
98.97510	3.3
99.07986	6.6
101.05945	12.8
104.10670	17.9
105.06976	22.9
107.08537	44.9
109.06458	46.9
109.10098	55.1
111.08027	5.8
113.09609	3.7
114.15190	3.0
114.38478	2.9
116.98576	3.6
119.08517	26.0
120.08029	6.3
121.10098	49.9
123.11655	22.5
124.99945	5.4
125.09585	3.5
127.07555	4.1
128.44168	2.8
129.06963	6.2
131.08499	5.4
133.10117	13.1
134.99651	4.4
135.08018	13.3
135.11617	28.2
137.09599	6.2
137.13232	12.2
143.08504	3.5
143.65164	2.6
145.04973	3.1
145.10086	5.0
147.07994	6.5
147.11620	6.7
159.11572	4.5
161.01102	3.7
164.07036	3.1
173.09607	5.1
175.07495	4.7
177.16382	26.7
183.11493	2.7
184.07257	22.5
187.11127	3.3
189.57820	3.4
195.17355	4.9
209.67769	3.0
211.11147	4.2
213.18491	26.6
227.10616	5.0
229.12273	4.1
231.19492	13.7
249.20526	4.5
269.15402	4.1
317.22174	3.0
321.24158	11.7
335.23199	5.3
340.05957	3.2
340.22638	2.6
375.26535	23.8
393.27475	20.2
411.19223	26.2
411.28201	4.6
412.20523	10.8
436.83682	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	411.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	7.2
55.80881	1.5
57.07003	2.8
67.05429	2.8
69.06992	29.0
69.43476	1.6
72.08054	2.4
79.05401	1.9
81.06969	11.0
83.08540	3.4
85.75806	1.4
91.05398	3.5
93.06965	7.7
95.04973	1.7
95.08524	7.3
105.06966	3.1
106.27330	1.7
107.08537	3.5
109.06483	6.0
109.10109	6.8
117.06949	3.5
119.08545	3.0
119.81174	1.4
121.10072	2.4
143.08459	2.0
145.10121	20.1
147.08014	10.4
149.09593	2.9
155.08473	1.7
158.07260	11.5
173.09584	100.0
174.10043	2.4
175.11115	14.2
187.11226	3.1
191.10622	41.9
213.12747	6.5
221.01076	1.6
233.65265	1.6
393.31534	9.2
400.74042	1.7
411.32455	30.5
412.32098	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	411.3617
Annotation	24-Methylenepollinastanone
Peak:m/z	Relative Intensity
51.60949	5.8
52.74512	5.8
55.05445	64.1
56.07261	5.9
57.07001	9.9
59.93844	6.4
61.01282	6.5
62.25610	7.1
69.06974	43.6
69.89039	7.4
81.06974	11.5
83.08546	100.0
91.35934	7.0
92.10843	17.0
97.06477	65.0
97.10114	11.2
109.06470	54.0
111.86204	7.3
149.29268	7.9
335.63672	7.2
351.20389	7.5
411.36246	60.8
411.40863	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	411.394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	14.1
59.55997	1.8
61.66777	2.1
62.58699	2.2
69.60563	1.9
72.08070	100.0
74.09645	1.8
82.71856	2.0
84.03487	2.1
114.68050	2.1
116.33329	2.1
167.24797	2.3
180.44931	2.2
349.29422	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03852	1.7
55.01802	1.7
55.05435	9.2
56.16318	1.6
57.03360	3.7
57.04230	1.3
59.04930	1.7
60.08085	20.1
61.02839	2.2
67.05428	24.1
69.03325	11.9
69.06990	13.3
70.06523	12.2
71.04905	3.5
71.07274	9.7
72.08050	10.1
79.05399	7.2
81.03332	7.2
81.06956	11.2
83.08512	2.3
84.08051	2.5
85.02836	18.0
85.06446	2.3
86.09623	78.8
87.00737	8.6
89.60767	1.6
93.06949	4.1
95.04891	4.1
95.08521	10.8
97.02805	8.2
98.98382	3.0
104.10671	100.0
105.01794	9.9
105.06936	2.8
107.08508	3.3
109.02812	7.3
109.10095	15.2
119.08492	1.9
121.10035	3.2
124.03855	2.0
124.99955	40.0
127.03846	9.5
129.10268	1.9
129.12726	2.6
143.08488	2.3
145.04973	1.8
147.08029	3.3
166.23871	1.8
184.07291	86.5
184.12244	2.0
224.86525	1.7
229.12296	2.1
229.14331	3.2
231.04822	3.9
393.27475	3.3
412.20676	30.3
413.24991	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	412.2224
Annotation	Val Phe Phe
Peak:m/z	Relative Intensity
55.05443	4.0
72.08068	34.8
74.38126	0.6
91.05426	0.8
93.06982	0.9
103.05397	3.0
118.07340	0.6
120.08056	100.0
121.08334	1.1
148.30112	0.6
158.55334	0.5
166.08607	2.5
173.44756	0.5
219.14864	16.1
247.14333	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	412.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75378	2.8
55.05441	4.0
55.36614	2.4
56.04727	3.6
56.04975	69.6
57.06989	3.6
57.15274	2.2
61.00795	2.8
61.01080	49.5
67.05432	26.5
69.06975	14.0
74.05974	4.1
75.68445	3.1
79.05390	5.6
81.06982	30.0
85.02784	3.1
87.02592	5.9
91.05402	6.3
93.06973	12.1
95.08536	23.3
102.05453	11.6
104.05268	100.0
105.06947	3.5
107.08527	3.9
109.10088	5.2
121.10017	2.9
133.03137	57.0
133.10114	3.1
150.04683	4.1
150.05817	72.7
159.40512	2.7
161.13103	3.2
192.64362	2.8
364.28445	11.0
412.28302	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	412.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70007	2.4
55.05440	4.5
57.07000	12.0
57.79125	2.7
58.06529	4.6
62.98991	5.3
67.05421	10.7
69.06978	4.7
71.08526	3.7
81.06974	10.5
83.08514	4.0
91.05386	5.5
93.06959	5.5
95.04896	4.5
95.08531	12.3
96.30721	3.2
98.98436	3.7
105.02993	5.0
105.03667	100.0
105.06963	3.4
107.08551	5.6
109.06447	13.2
109.10098	5.0
114.10328	2.9
122.06322	24.3
155.00954	5.4
156.64516	2.9
165.12709	34.7
218.55602	3.4
291.23041	18.2
348.28928	67.2
412.28659	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	412.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	3.5
57.06992	1.8
66.63369	0.9
67.05412	5.0
69.06974	4.3
71.08524	5.0
76.56193	0.9
79.05400	5.8
81.06966	5.1
83.08532	1.9
91.05434	1.3
92.10317	1.1
93.06950	2.1
95.04877	2.1
95.08527	5.2
96.68638	1.0
97.06497	1.3
99.08060	1.0
103.05424	1.2
105.06979	100.0
106.07284	0.9
107.08530	3.4
108.37201	0.8
109.06441	4.6
109.10100	1.8
119.08532	1.8
121.10056	1.2
122.09626	24.5
135.11713	1.0
144.28421	1.0
156.13803	3.5
164.68263	0.9
165.12703	5.0
175.14752	0.8
281.38339	0.9
291.23120	3.5
314.24741	1.1
412.31992	14.7
413.32275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1414
Annotation	t(6)a
Peak:m/z	Relative Intensity
52.30074	0.2
55.12471	0.2
56.04967	0.4
56.12557	0.2
57.03376	0.3
68.18278	0.2
70.06509	1.2
70.32333	0.2
73.02857	0.3
74.06008	2.0
80.27406	0.2
81.08228	0.3
81.50174	0.3
81.99587	0.3
85.02824	1.2
94.03987	0.3
97.02837	0.6
102.05479	1.7
103.03902	0.5
108.13332	0.3
110.49574	0.3
116.98594	0.3
119.03488	2.9
120.06530	5.1
127.03861	0.4
132.60925	0.3
136.06160	100.0
137.04619	2.1
137.06471	1.6
146.02330	0.3
162.04076	54.4
163.04379	0.5
238.44997	0.3
273.74728	0.3
281.09848	24.7
282.09995	0.5
413.14087	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	413.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81547	3.3
55.05444	7.6
56.49309	3.6
67.05423	28.2
69.03345	48.3
69.06986	43.5
70.91055	3.9
79.05406	21.1
81.06970	85.9
83.01249	31.8
84.43382	4.1
91.05448	4.5
92.10258	10.5
93.06975	18.8
95.08528	64.2
97.06469	21.2
105.06960	8.3
107.08543	26.4
108.33096	4.3
109.10080	34.6
119.08557	6.5
121.10105	10.1
123.11713	14.0
125.05959	74.9
127.03896	5.3
133.10092	5.5
135.11644	8.7
137.13174	7.5
149.13235	7.5
153.05420	100.0
209.11577	5.7
222.91948	4.2
275.28476	4.1
283.09641	3.8
293.19901	4.1
309.73520	4.1
411.29092	4.6
413.30765	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	413.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17157	0.9
53.00240	2.0
53.03886	1.8
55.01812	13.9
55.05458	9.4
57.06997	6.4
63.34649	1.1
65.03849	1.9
67.05425	20.5
69.06990	64.3
72.04421	1.1
78.08212	1.4
79.05409	18.6
81.06976	100.0
83.01260	94.3
83.04884	2.0
83.08521	1.9
91.05406	12.9
92.10928	1.5
93.06966	17.9
95.07957	2.2
95.08530	41.9
97.02818	19.8
97.06460	2.3
101.02348	1.3
105.06960	9.2
107.04879	7.7
107.08541	15.5
109.06436	1.7
109.10091	15.7
110.18827	1.2
115.03889	21.7
115.42991	1.5
116.07017	1.9
119.08549	11.9
121.10097	10.8
123.08027	1.3
123.11645	6.6
125.05959	34.8
129.06958	1.2
131.08533	1.8
133.10091	2.6
135.11636	8.6
137.13219	2.1
144.09238	1.4
145.10083	1.4
147.11633	5.4
149.13226	6.3
153.05446	75.8
154.93263	1.3
161.13249	1.2
163.14778	1.3
165.05412	1.2
167.07010	12.0
171.06468	13.1
175.11105	5.1
177.40125	1.2
179.10616	2.0
181.08580	1.6
192.07690	1.4
193.08485	2.0
195.10130	13.9
203.10464	1.5
207.10020	1.7
209.09775	1.8
209.11694	41.0
212.18489	1.2
221.11694	23.7
235.13303	4.0
249.14841	1.1
263.16327	2.4
277.17975	10.7
289.17706	4.6
305.21152	1.3
338.08472	1.5
345.24176	11.0
357.23987	8.1
372.32913	1.5
413.30371	89.5
414.30585	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	413.3776
Annotation	Adiantone
Peak:m/z	Relative Intensity
54.81823	1.6
55.01814	1.6
55.05443	2.4
57.06999	3.6
66.62016	1.5
67.05439	2.4
67.85923	1.4
69.06972	9.1
71.08540	3.1
79.05392	10.6
81.06969	13.8
83.04895	3.3
83.08495	3.0
84.80108	1.7
92.10897	2.8
93.06973	1.9
95.08530	9.5
95.09216	1.6
97.05851	3.3
97.06464	79.9
103.68617	1.6
105.06973	2.5
107.08518	2.1
109.06471	100.0
109.10091	2.8
121.10175	3.1
123.08024	7.2
131.29163	1.7
133.10120	1.7
143.26216	1.5
145.10126	2.4
163.11099	2.2
175.82980	1.8
176.36086	1.4
191.50407	1.6
198.06903	1.5
223.03798	1.7
306.64771	1.6
413.32144	15.8
413.37634	52.3
414.37726	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	414.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71904	0.6
51.94312	0.6
53.03885	4.3
55.05448	5.5
56.96506	1.0
57.03368	3.2
57.88725	0.7
58.06533	1.0
59.07290	0.7
61.02852	3.2
68.09364	0.6
69.03006	1.0
69.03349	18.9
70.06519	7.1
71.04910	6.8
72.08072	1.4
73.02824	3.1
73.06467	24.9
81.03338	20.3
82.38847	0.7
84.04430	0.9
84.08070	1.9
84.59555	0.9
85.02829	79.9
86.09638	1.5
97.02825	23.9
98.97528	1.0
99.04382	54.4
101.05954	10.2
103.03878	100.0
109.02827	19.2
110.07113	3.6
111.72896	0.8
116.98582	1.8
118.08610	17.8
124.03909	0.9
127.03876	99.1
134.99612	1.2
141.33078	0.9
145.04939	26.7
163.05984	23.6
187.05997	2.8
199.09650	1.5
228.93884	0.8
235.11583	1.3
253.89119	0.9
259.11697	15.8
271.08038	3.8
273.17395	0.7
277.12778	1.2
289.09192	1.9
307.10236	5.7
343.13916	1.3
361.14783	2.8
379.15964	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	414.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81605	0.2
55.01793	0.3
55.05449	3.3
57.03364	1.6
57.06997	0.5
61.02836	0.2
64.33274	0.2
65.03873	0.4
66.78493	0.2
67.05406	0.4
69.03343	5.6
69.06989	0.3
70.06493	0.3
71.01238	0.2
71.04917	0.2
79.02812	0.2
79.05389	1.0
81.03323	1.2
81.06979	0.4
83.04898	9.2
83.08514	0.2
85.02825	4.9
87.49904	0.2
89.04185	0.3
91.05403	6.9
92.25718	0.2
93.06955	0.4
95.04913	0.3
95.08533	0.4
103.05389	0.4
104.06184	0.5
105.06985	2.3
107.08534	21.9
109.06481	1.1
111.04386	8.1
111.05066	0.3
113.06000	0.3
117.06985	1.3
119.08530	100.0
120.08848	1.8
129.05437	1.1
133.06448	3.3
135.08020	12.3
145.10162	0.3
157.10045	0.3
171.11676	0.3
173.09601	0.4
177.08984	0.8
181.10104	1.1
196.35359	0.3
197.11713	0.4
199.11174	0.3
261.11154	0.9
263.12701	5.6
301.42859	0.2
329.17038	0.2
379.51566	0.3
397.19974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	16.8
55.05671	1.8
56.96510	1.8
57.07013	11.2
67.05421	3.9
69.06989	4.8
79.05441	3.2
81.06963	7.9
83.04896	8.2
83.08562	2.4
85.06471	2.9
91.05365	3.3
93.06967	11.4
95.04882	3.0
95.08541	12.8
97.06475	4.1
98.55989	2.0
105.06969	3.8
107.08535	17.1
109.06475	2.4
110.83433	2.1
111.04397	48.8
119.08526	9.5
121.10150	3.7
125.05921	28.8
135.07997	8.5
135.11653	14.1
136.11748	2.0
145.10110	10.4
153.12718	2.7
154.09505	2.4
163.11145	4.3
181.12195	100.0
185.15767	2.2
186.62819	2.4
198.08382	2.3
263.96664	2.1
325.31833	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	415.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01818	0.2
55.05444	0.1
56.96473	0.1
57.03374	0.6
63.81200	0.1
65.03872	0.7
69.03355	0.6
70.06515	1.7
71.01268	0.2
72.08065	0.6
73.02837	0.9
81.03326	0.2
81.55916	0.1
83.16135	0.1
84.04417	0.5
84.08071	0.7
85.02831	2.8
86.09636	0.6
91.05404	9.0
92.10226	0.2
95.01254	1.9
97.02815	0.2
98.97524	0.2
99.00781	0.1
99.04356	0.1
103.03870	0.3
105.06977	0.2
107.04906	0.2
109.02849	0.2
110.05978	0.3
110.07141	0.3
113.02317	0.5
119.04897	27.6
120.05257	0.2
120.08073	0.2
124.03939	0.2
127.03854	0.5
131.03369	0.6
134.99631	0.1
136.07523	0.2
141.01823	1.9
147.04388	100.0
148.04726	1.3
201.89589	0.1
210.06718	0.1
215.65562	0.1
221.08258	0.1
239.09019	0.6
269.20166	0.2
302.73190	0.1
305.06525	0.2
323.07657	1.2
348.25043	0.1
414.72610	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10400	0.5
50.23267	0.5
50.52821	0.6
55.05437	1.0
57.03381	0.9
60.04450	2.9
65.03847	0.8
67.05433	0.6
69.03357	1.1
69.07017	0.6
69.43143	0.5
70.06135	0.7
70.06510	18.0
71.01250	0.5
72.08066	2.5
73.02814	0.7
81.03359	1.1
83.04895	0.7
84.04424	1.5
84.08062	2.7
85.02837	6.8
86.09634	8.1
91.05418	12.2
95.01245	0.9
97.02814	1.4
98.97537	0.9
99.04379	1.1
103.03879	3.4
109.02814	1.5
110.07103	2.5
112.08686	0.7
115.08654	0.9
116.07037	1.5
116.98533	0.9
117.03385	0.6
118.08659	0.6
119.04906	30.0
121.06500	0.6
124.03910	1.1
127.03865	3.7
130.08646	0.8
132.04390	6.1
145.02847	0.6
147.04395	100.0
148.04727	0.8
151.03929	1.2
163.05966	1.0
181.04935	2.7
189.59418	0.6
227.11263	1.5
237.02745	0.9
267.34537	0.7
350.88608	0.9
396.19086	0.6
414.75299	3.7
415.25543	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30064	0.5
60.29967	0.6
63.94720	0.5
65.03844	0.8
74.79241	0.7
78.04648	0.7
89.03831	16.6
91.05403	13.0
108.83998	0.6
117.03329	50.9
119.04894	27.6
131.32967	0.6
134.03603	4.7
135.04408	5.2
141.51373	0.6
145.02826	100.0
147.04385	49.0
149.05956	17.4
163.03856	0.8
177.05435	90.6
186.05479	1.2
221.07986	4.3
234.83241	0.6
249.80406	0.7
251.09064	3.6
293.89517	0.6
397.12851	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	415.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	2.2
55.01810	2.2
55.05449	4.5
57.03374	6.7
61.02857	10.2
62.72527	0.4
69.03347	20.2
70.06502	0.7
71.04901	1.9
73.02849	4.1
73.06470	16.1
81.03333	5.6
84.04426	2.6
85.02830	100.0
86.05991	1.0
87.04390	2.4
88.08137	0.4
91.03879	3.3
97.02825	23.2
98.97532	0.6
99.04387	5.0
101.02320	0.7
103.03882	0.8
109.02836	9.3
109.56001	0.5
115.03909	0.9
126.94786	0.5
127.03877	17.9
130.04974	0.7
136.06152	10.1
137.05586	0.5
137.06508	2.4
145.04935	24.7
152.05704	2.0
157.91176	0.5
163.05997	6.6
186.28015	0.6
192.99953	0.5
194.22581	0.5
200.04202	0.5
241.15294	0.6
253.12970	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	415.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03865	0.2
54.88751	0.1
55.01792	0.2
55.05449	0.3
56.96484	0.3
57.03369	0.3
61.02861	0.2
65.03863	0.2
65.72853	0.1
69.03344	2.6
73.94285	0.1
79.05407	1.0
81.03316	0.3
83.04890	0.8
85.02834	0.9
91.05406	10.0
93.06956	0.4
95.04882	0.2
103.05403	0.9
104.06203	0.9
105.06974	1.2
107.08537	9.1
109.06469	1.0
115.05373	0.3
117.06960	2.6
119.08537	100.0
120.08858	1.7
123.08057	0.2
129.05424	0.2
133.06470	1.5
135.08015	5.9
137.68044	0.2
157.10216	0.2
180.08234	0.2
239.02200	0.4
257.03311	1.0
275.09561	0.3
281.13885	0.2
291.12613	1.1
293.10526	1.1
295.08722	0.3
307.15793	0.9
309.13702	0.8
313.09586	1.0
325.16864	0.8
339.14636	0.2
340.17285	0.2
351.14859	0.6
369.15887	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	415.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57907	0.3
53.47292	0.3
55.05460	0.4
69.03360	2.5
76.56128	0.3
79.05399	1.6
83.04906	0.5
84.25988	0.4
85.02827	0.6
91.05402	9.4
92.64164	0.3
93.06953	0.5
103.05340	0.6
104.06214	0.8
105.06987	1.5
107.08540	8.6
108.02308	0.3
109.06499	0.4
115.05457	0.6
117.06971	1.9
118.01766	0.3
119.08540	100.0
120.08868	0.9
127.12738	0.4
133.06464	1.8
135.08034	4.6
147.92889	0.3
156.65608	0.4
163.30594	0.4
414.29083	0.8
415.29382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66691	0.2
51.02327	0.2
51.81229	0.2
55.01800	0.3
57.03360	0.3
61.02848	0.3
69.03343	3.0
76.56224	0.2
76.73705	0.2
77.10375	0.2
79.05403	0.4
81.03339	0.4
81.38507	0.2
82.62767	0.2
83.04906	0.6
85.02821	0.5
91.04834	0.3
91.05407	8.5
92.10879	0.5
93.06976	0.4
96.76162	0.2
102.71365	0.2
103.05405	1.0
104.06169	0.6
105.06995	0.9
107.08538	9.4
109.06511	0.3
115.05383	0.4
117.06986	2.4
119.08540	100.0
120.08884	1.9
133.06482	1.6
135.08028	4.0
135.78931	0.2
158.70645	0.2
317.02795	0.2
372.93616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	0.2
55.01811	0.2
55.05434	0.3
56.98271	0.2
57.03363	0.7
61.02855	0.2
64.33077	0.2
67.05418	0.2
69.03352	2.7
71.04923	0.6
73.42116	0.2
79.05432	1.4
81.03338	0.3
83.04901	1.2
85.02828	1.0
91.05407	9.6
93.06967	1.0
95.04881	0.3
101.05997	0.2
103.05409	0.7
104.06184	0.9
105.06979	1.0
107.04884	1.2
107.08536	9.9
108.05245	0.2
109.06482	0.4
111.04386	0.4
115.05444	0.2
117.06950	2.4
119.08539	100.0
120.08879	1.7
124.63652	0.2
129.05434	0.3
133.06476	1.6
133.07446	0.2
135.08025	4.6
136.44923	0.2
137.15051	0.2
149.05949	0.7
159.85094	0.2
163.11124	0.4
200.40471	0.2
219.17422	0.6
267.12344	0.8
268.12500	0.4
285.13342	0.3
286.13556	0.2
321.86780	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03367	0.9
58.31263	0.4
59.74961	0.5
62.47149	0.5
69.03345	1.9
69.06969	0.6
72.41986	0.5
79.05392	1.9
81.06994	0.9
83.04908	0.5
87.93731	0.4
88.17921	0.5
91.05403	10.0
93.06952	0.7
95.08553	0.5
95.54185	0.4
98.98344	0.6
99.82085	0.5
103.05346	0.8
104.06190	0.7
105.06933	0.6
107.08533	8.7
117.06986	3.7
119.08536	100.0
120.08856	1.1
133.06462	0.9
135.08018	2.5
137.05997	1.1
149.13152	0.6
149.36067	0.5
290.60620	0.5
413.28229	0.5
415.24142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2335
Annotation	Tentoxin
Peak:m/z	Relative Intensity
50.65236	0.7
53.40895	0.7
56.96498	1.6
58.06536	7.8
60.08072	6.1
66.70944	0.8
68.04928	1.1
70.06508	99.0
72.08044	6.2
81.03316	1.5
82.06472	0.8
84.04408	2.2
84.08043	1.1
85.02814	2.2
86.09580	4.4
87.04353	1.0
91.05362	5.3
95.08485	0.9
96.08057	10.6
97.02789	1.4
98.97503	1.1
100.07629	0.8
102.05424	1.2
105.06965	0.9
106.02843	1.1
106.06489	1.3
109.02779	1.4
110.07152	1.1
113.07069	1.2
114.09092	5.0
115.05373	1.2
116.98529	1.3
118.05793	0.9
118.06490	18.7
120.08072	14.1
121.08384	8.9
124.03839	1.7
124.06748	1.2
124.07546	19.7
127.03859	1.0
130.05624	1.1
130.06497	21.1
132.08052	1.6
140.07033	3.2
141.10117	0.9
142.06406	1.1
142.08612	10.1
143.07246	1.5
144.06941	1.2
144.08038	20.5
146.05991	55.9
147.04364	1.0
147.06219	1.0
152.07008	4.1
158.09583	3.8
159.09094	7.6
160.07497	1.2
166.08553	1.5
167.08940	1.0
168.07939	5.2
168.09001	4.5
169.07547	1.0
169.09708	16.2
170.05949	12.3
172.07164	0.8
185.10614	6.1
188.07024	44.4
189.07045	0.9
191.17613	0.9
211.12294	1.1
214.08473	1.2
229.15450	21.4
231.11163	1.3
233.49455	0.9
253.12566	1.3
282.15723	1.5
310.15152	5.5
328.16284	1.3
356.15982	8.3
415.23053	100.0
416.23367	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	415.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12606	0.3
53.22582	0.3
54.81777	0.5
55.05445	1.7
60.04449	4.8
69.03354	0.7
69.06966	0.5
70.06506	100.0
71.06820	0.4
72.08070	15.9
79.05404	0.5
81.06983	0.7
84.04438	0.7
84.08074	2.3
85.02827	1.8
86.09630	3.3
87.04383	0.5
87.05519	2.5
91.05376	0.4
93.06946	0.4
93.14785	0.5
97.02822	0.6
105.03320	1.8
110.07113	1.0
111.84173	0.4
114.09132	2.8
114.37068	0.4
116.98577	0.8
129.10237	0.6
133.18053	0.4
134.99622	0.6
147.04376	0.8
159.11234	8.7
183.14873	0.8
187.10901	0.5
208.88805	0.4
229.15413	31.2
234.31160	0.4
271.16779	0.6
277.29599	0.4
294.54996	0.4
381.18973	0.7
409.65897	0.5
415.19666	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91827	0.5
53.01980	0.5
53.64514	0.5
55.05452	0.8
57.03362	0.7
67.05420	0.6
69.06977	0.7
70.06516	12.2
71.04926	0.5
72.08076	1.1
72.45978	0.7
81.03342	0.6
81.06985	0.7
84.04422	1.1
84.08065	0.8
85.02830	2.9
86.09626	3.2
91.05436	0.9
93.06991	0.9
94.69652	0.6
95.04900	0.7
97.02849	0.6
116.98557	1.1
117.06934	0.7
118.06509	0.8
124.07567	1.5
130.06541	0.7
133.51814	0.7
134.99617	0.6
144.08119	0.9
146.06013	4.0
162.23648	0.6
177.05519	1.1
185.32774	0.6
188.07079	4.1
235.69997	0.7
277.92441	0.7
327.21280	5.7
355.24640	5.1
379.29501	0.7
391.22058	0.6
397.25568	0.9
415.26718	100.0
416.27225	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	415.3567
Annotation	HMDB12169
Peak:m/z	Relative Intensity
53.59885	6.5
54.81637	7.6
55.05445	11.2
57.06991	8.3
60.12949	6.1
63.62307	5.4
69.06977	10.0
71.08546	7.9
75.60533	5.8
81.06999	26.6
89.49044	7.2
91.57107	5.7
92.64232	5.9
95.08519	35.1
107.08535	12.0
119.08578	15.8
121.10023	7.2
121.44111	7.2
123.11679	8.5
135.18817	6.2
140.97615	7.0
169.00523	6.8
171.11569	8.2
180.01707	7.4
228.62154	7.1
343.03329	7.5
376.48602	7.2
397.34509	9.7
399.74432	7.5
415.35562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18702	1.5
52.19782	1.6
53.03878	6.9
55.01794	2.0
55.05439	2.0
56.04975	2.8
56.96505	2.6
57.03374	3.4
57.07008	2.2
57.79670	1.6
61.02833	2.6
62.06022	2.2
65.03879	2.5
69.03338	20.2
70.06505	28.5
71.04901	4.1
72.08069	3.8
72.60506	1.6
73.02818	3.2
76.56600	2.3
81.03339	35.1
83.04889	2.4
84.04419	9.9
84.08064	8.3
85.02825	53.9
86.09623	24.7
92.04919	8.5
97.02825	38.5
99.04392	41.3
102.05496	1.8
103.03874	45.2
105.07002	3.4
106.02880	3.9
106.06507	9.3
108.04395	2.1
109.02842	24.0
109.05191	7.7
110.05993	100.0
110.07162	5.9
111.04331	3.3
112.08619	2.0
112.35172	1.7
116.98602	2.7
120.04418	3.5
120.08089	3.0
121.06535	2.0
122.05982	8.1
122.94379	1.7
124.03918	4.5
127.03880	53.9
129.10220	6.9
133.06416	12.6
134.05984	16.0
136.94524	1.9
145.04982	16.2
152.07069	11.6
163.06001	2.9
172.07608	7.5
176.06992	3.7
187.05974	3.5
188.06941	1.9
200.06998	24.7
218.08018	3.6
271.07782	1.9
287.09698	3.5
297.88235	1.9
329.10825	2.4
380.13235	2.5
398.13855	3.7
416.15164	16.8
418.66351	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02314	0.6
53.03881	3.7
54.81797	0.6
55.01817	0.8
55.05447	1.0
56.96488	0.6
57.03365	2.7
67.05416	0.8
69.03345	12.1
69.07008	0.7
70.06503	7.9
71.04904	1.3
72.08077	5.8
73.02834	1.3
78.03369	14.3
79.05363	0.7
80.04932	1.3
81.03334	23.2
81.06983	3.8
83.06007	1.2
84.04445	5.5
84.08066	2.6
85.02829	13.9
86.09617	4.6
91.05401	3.5
93.06981	2.5
95.08535	1.0
96.04430	8.9
97.02814	6.5
98.97524	0.6
99.04391	3.7
101.07081	3.2
103.03922	1.0
105.06975	1.4
106.02854	74.1
107.08570	1.3
109.02831	11.0
109.10133	2.6
110.05972	0.6
110.07083	1.5
111.36133	0.6
114.96365	0.6
116.98553	0.9
119.04882	7.1
119.08561	3.1
120.05226	2.5
120.08017	1.1
124.03907	100.0
125.04272	1.0
127.03876	8.5
129.10220	4.1
133.10178	1.3
143.08492	0.7
145.10037	1.0
147.04387	18.6
148.04695	10.3
148.05644	0.7
166.04929	1.0
177.00667	0.8
197.12984	0.7
199.14609	0.7
219.01794	0.7
225.16335	3.2
227.17937	0.9
232.05989	0.7
242.14967	1.2
243.17506	2.3
245.18929	1.2
250.07019	15.1
251.07289	0.7
254.10297	0.7
258.44226	0.6
268.08081	31.2
269.07861	0.7
271.16736	4.9
289.17905	3.4
289.80814	0.6
299.16559	0.8
317.17343	5.2
345.16809	3.3
363.17911	3.8
381.18900	10.3
416.15112	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	416.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17183	1.0
56.96503	1.4
57.03377	2.4
61.02851	10.2
62.57685	1.2
65.04159	1.2
69.03347	16.6
70.06514	1.7
71.04903	2.0
73.02834	1.8
75.83018	1.3
81.03345	7.2
84.04427	2.3
85.02826	100.0
91.03864	6.3
97.02834	23.3
99.04377	2.6
109.02821	6.8
116.98521	1.7
127.03883	18.3
145.04938	27.8
151.00444	1.3
157.96397	1.7
163.06003	7.8
198.97978	1.6
236.99675	1.6
270.14471	1.7
288.72110	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	416.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20438	2.5
55.05454	4.7
56.96506	3.9
57.03368	6.0
65.25095	3.0
66.60860	3.0
67.05424	6.0
69.03349	5.0
70.06516	31.6
71.21990	3.5
72.08067	8.1
79.05413	14.9
81.03333	4.5
81.06968	24.4
83.04911	5.0
83.82098	3.5
84.04433	15.6
84.08062	12.6
85.02804	8.1
86.09624	20.6
91.05390	19.1
92.64407	4.1
93.06963	27.1
95.08524	31.0
97.02809	5.1
103.03888	3.7
105.06950	23.7
106.02872	13.0
107.04896	4.7
107.08542	20.0
109.10098	31.3
110.07111	8.0
116.98579	6.5
119.04947	5.9
119.08548	37.0
120.08042	13.5
121.02819	13.0
123.11605	4.3
124.03865	27.1
129.06816	4.1
131.08560	6.2
133.10150	15.5
135.08038	3.9
137.09633	16.4
143.08595	7.7
145.10101	7.0
147.04398	15.4
147.11642	4.6
157.10126	8.1
159.11612	5.7
163.11104	3.6
166.05000	3.6
169.10048	3.7
171.11705	4.2
173.09413	4.0
185.13229	5.4
194.63469	3.1
197.13251	12.6
225.16354	25.6
227.17862	17.0
235.14642	3.3
237.02748	4.1
242.19508	3.6
243.17404	26.3
245.18886	16.4
253.15756	7.8
254.29987	3.5
261.18475	7.6
268.08109	5.0
271.16864	54.2
289.17868	42.9
294.23581	3.9
299.16400	16.1
305.17609	3.8
317.17401	54.8
345.17047	41.9
363.17853	32.9
381.19009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.24
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71571	2.0
53.03902	2.5
55.05452	23.3
56.96500	40.3
57.03363	12.0
57.07013	10.0
60.78524	2.3
67.05428	81.6
68.22224	2.4
68.76736	2.2
69.06979	15.8
71.08542	12.0
74.00446	2.4
77.13069	2.8
79.05420	19.8
81.03324	2.5
81.06507	4.3
81.06977	100.0
83.08533	14.8
91.05403	22.5
91.05911	2.8
93.06946	24.3
95.08534	84.3
97.06446	5.4
97.10076	4.6
98.98401	97.6
99.07987	10.6
101.20320	2.6
105.06951	12.9
107.08532	17.5
109.10105	33.2
116.98566	2.5
116.99480	4.6
119.08533	5.4
121.10106	21.0
123.11673	11.3
133.10083	10.4
135.11650	5.3
137.13251	4.4
147.03270	3.0
147.11642	5.7
149.04797	15.0
149.13156	4.5
155.01018	89.5
161.13177	5.5
163.14767	3.8
167.05898	12.8
197.01147	17.0
215.02225	23.1
241.00075	6.6
245.22609	14.2
253.07404	15.5
263.23682	46.7
271.08487	28.8
297.06430	29.2
395.13538	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	417.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	2.8
55.05453	22.0
57.03370	9.4
57.07013	9.5
60.97143	2.1
66.06410	2.1
66.13479	1.7
67.05428	89.4
69.06989	21.6
71.08551	2.6
76.80838	2.3
79.05404	23.2
81.06972	99.2
83.04932	2.2
83.08530	10.2
91.04905	2.0
91.05402	18.4
93.06973	23.6
95.04897	3.8
95.08526	74.5
97.06460	3.8
97.10095	2.7
98.98396	100.0
102.57320	2.2
105.06960	5.3
107.08557	17.7
109.10113	38.8
119.08559	8.5
121.10107	12.1
123.11655	13.8
124.99949	3.0
133.10121	11.7
135.11668	4.6
137.13261	5.1
147.11646	4.7
149.13258	3.4
151.14850	3.8
155.01016	73.3
161.13179	5.3
165.16393	2.6
184.07365	2.7
205.50789	2.5
245.22560	10.9
263.23633	35.1
417.27206	2.4
430.61395	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	417.2449
Annotation	Arg Leu Glu
Peak:m/z	Relative Intensity
55.05459	2.4
57.48020	2.0
61.26229	1.8
67.42400	1.7
69.03309	2.2
70.06505	3.7
72.08059	8.5
81.06959	4.0
86.09603	13.3
91.05394	3.5
92.10304	2.2
97.06425	2.6
112.41991	2.2
124.49822	2.3
167.07056	3.2
182.39607	1.9
182.82365	2.1
371.94809	2.2
417.16150	2.8
417.24323	100.0
417.32697	3.0
418.24646	3.1
440.55591	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	418.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	2.7
55.05445	2.1
56.04977	1.5
56.96497	1.7
59.06036	3.0
60.05582	10.1
60.08084	1.8
64.33232	1.1
67.05412	5.0
69.02557	1.1
69.03351	19.8
69.06976	1.5
70.06512	11.6
72.08059	9.1
79.05392	6.2
81.03339	12.0
81.06973	14.0
83.04887	7.6
84.04416	5.9
84.08057	7.3
84.19715	1.2
85.02821	11.5
86.09614	5.4
91.05415	13.2
93.06973	27.8
95.04884	7.3
95.08559	1.4
97.02830	2.2
98.97508	5.0
99.04420	1.5
105.06955	9.3
106.02866	1.8
107.04896	2.2
107.08535	16.9
109.02773	1.8
109.06490	14.3
110.07153	5.4
111.08042	1.4
116.98563	5.0
117.07002	1.5
119.04906	9.2
119.08531	7.2
121.06464	12.7
121.10000	1.5
123.08014	9.7
124.03895	1.9
127.03871	2.7
129.10196	3.0
133.06465	2.8
133.10091	27.7
134.99628	3.1
135.08023	2.7
135.11676	2.7
137.05954	10.2
137.09550	2.7
138.10344	2.2
145.10086	1.3
146.06018	2.5
147.04399	28.8
147.11658	2.8
147.89459	1.3
149.02267	2.0
151.03889	2.0
151.11131	1.7
157.10014	5.8
159.11597	1.8
160.08913	2.4
161.05975	2.3
161.09572	19.1
165.05449	21.0
175.11151	18.4
177.00662	2.0
177.12779	1.6
179.10655	28.1
188.07024	6.1
193.12207	4.8
197.11829	1.5
203.10609	5.6
221.11656	6.7
237.02795	2.9
239.12740	100.0
240.13109	2.5
253.11232	1.5
262.11707	1.6
392.52921	1.4
395.12161	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	418.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80853	1.2
53.03891	1.3
55.01811	1.9
55.05254	1.1
55.05449	15.9
56.04971	1.6
56.96510	1.5
57.03366	3.8
58.99037	1.3
59.53918	1.4
60.39257	1.3
60.61008	1.5
65.03867	1.6
67.05411	3.5
67.40775	1.3
69.03351	16.0
69.06980	2.7
70.06503	16.5
72.08060	8.4
73.06492	1.7
79.05398	2.5
81.03328	5.9
81.06968	8.8
83.04896	11.0
84.04406	6.3
84.08061	7.8
85.02824	26.0
86.09605	8.1
91.05402	20.4
93.06966	27.8
95.04881	7.0
95.08530	12.9
97.02815	8.2
98.97539	2.5
103.05387	3.2
105.06976	16.4
107.04897	3.7
107.08538	31.8
108.05653	7.2
109.02822	6.2
109.06477	3.7
109.21598	1.4
110.07124	2.4
111.04374	6.2
112.11161	3.1
112.55666	1.4
116.98579	2.1
119.04878	16.4
119.08527	9.2
121.02828	2.5
121.06459	21.7
123.08020	100.0
124.03924	2.6
127.03850	5.4
129.10138	2.5
129.13818	1.9
133.10098	10.7
134.99615	2.0
135.08026	2.7
135.11642	11.3
137.05927	6.3
139.07596	1.7
145.04878	2.2
147.04369	17.1
147.11694	12.6
149.01155	3.4
149.02316	78.8
149.05922	10.0
151.03862	1.7
151.07533	23.5
155.11765	1.7
157.10052	6.9
160.08722	1.9
161.05872	2.1
161.09578	1.9
165.05420	9.1
167.07004	43.9
175.11143	25.5
179.10667	2.8
191.07008	6.3
193.12123	3.5
203.10652	8.5
209.73235	1.6
216.44637	1.5
221.06161	1.7
221.08246	15.5
221.11685	86.5
237.02774	2.3
330.24976	1.5
393.28510	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	418.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	3.5
54.81535	0.5
55.01810	1.3
55.05452	17.8
56.96483	0.8
56.97255	0.5
57.03366	3.0
57.07002	0.7
58.79877	0.5
59.04943	0.8
59.76410	0.5
61.02852	2.3
61.20276	0.6
65.03844	0.6
67.01790	0.8
67.05431	5.2
69.03352	13.8
69.06995	6.7
70.06493	2.5
70.21255	0.6
71.04926	0.7
72.08064	1.0
79.05409	5.2
81.03325	3.7
81.06975	9.6
83.04896	10.3
83.08533	1.4
84.08048	0.8
85.02338	1.2
85.02825	27.8
86.09601	1.0
87.04384	0.6
91.04893	0.9
91.05414	16.8
91.87769	0.6
93.06971	32.6
95.04461	0.5
95.04897	7.7
95.08530	17.0
97.02282	0.5
97.02819	6.0
99.04355	0.7
103.05404	5.3
105.06966	13.4
107.04884	3.7
107.08536	36.4
108.05687	6.3
108.08903	0.7
109.02839	4.1
109.06483	4.8
109.10130	0.6
111.04404	7.2
111.08018	2.4
113.02357	0.7
113.26302	0.7
117.07021	0.8
119.04905	10.9
119.08527	9.0
121.06455	31.2
121.10090	2.6
123.04375	0.8
123.08018	100.0
124.03893	0.9
127.03857	4.1
129.06918	0.7
131.08530	2.7
133.02875	0.6
133.06418	1.3
133.10086	14.7
135.08031	2.9
135.11652	14.9
137.05956	10.8
139.03871	2.2
139.07504	1.0
145.04878	3.2
145.06451	0.8
145.10149	1.0
147.04359	5.3
147.08005	2.8
147.11682	9.5
149.02312	1.3
149.05943	11.8
149.13206	1.2
151.03873	3.6
151.07515	31.4
151.11121	1.1
153.05411	1.3
153.78282	0.7
157.10086	7.8
159.11623	3.4
160.08765	2.4
161.05940	0.6
161.09589	2.9
163.06009	0.9
163.07472	0.9
165.05432	13.7
167.06998	54.0
175.11151	34.1
177.09090	3.4
177.12688	2.6
179.10666	6.9
185.09598	0.9
193.12221	7.5
203.10641	12.3
212.28421	0.6
221.11690	97.3
222.12070	3.6
286.30252	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	4.6
57.06998	1.1
57.45996	1.0
67.05416	6.3
67.05743	0.9
69.06981	2.1
76.56882	1.0
79.05418	2.4
81.06976	5.0
83.06029	7.4
90.56434	0.9
91.05402	2.2
93.04475	6.8
95.06014	4.7
95.08495	4.1
98.05966	4.3
105.62909	1.1
107.08552	1.7
109.10136	1.6
110.07112	100.0
119.08526	2.4
120.08881	3.9
156.07642	25.5
169.81854	1.0
172.62958	1.1
269.21329	0.8
276.36090	1.0
279.08344	1.0
286.51498	0.9
306.27869	19.3
317.19531	4.3
351.77966	0.9
417.39066	1.5
418.30496	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	418.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62218	1.5
55.05437	2.2
56.89741	1.6
57.07002	12.4
57.23310	1.5
57.93437	1.3
58.06533	3.0
67.05413	4.0
69.06992	2.7
70.06184	2.5
70.06512	36.6
71.08547	2.9
86.09621	3.9
88.07544	12.1
100.13320	1.6
102.09106	2.6
108.57758	1.7
109.10107	2.3
132.10196	12.3
141.43546	1.6
146.11760	16.1
201.83011	1.6
286.76721	1.7
312.32547	16.2
356.35126	60.6
357.35730	2.2
418.38821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61408	0.6
57.02517	0.5
57.03370	0.6
64.94773	0.5
65.03855	1.2
70.06498	0.7
71.01281	0.8
83.63233	0.6
84.93938	0.6
85.02821	4.1
92.10982	1.1
95.01287	1.2
95.04861	0.7
104.37556	0.6
107.04892	5.0
111.04375	2.7
125.05858	0.7
131.27702	0.6
141.01724	1.2
141.05411	4.9
151.03885	100.0
151.04961	5.2
152.04208	1.3
225.07529	0.8
243.08502	0.7
386.55392	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38380	0.2
54.81172	0.3
55.01802	0.3
57.03362	0.4
65.03869	1.6
67.05421	0.5
70.06512	0.2
71.01240	0.2
71.90574	0.2
72.08080	0.2
73.02823	0.9
80.20150	0.2
85.02827	2.7
88.55828	0.2
95.01270	2.5
95.04895	0.8
108.02045	1.2
109.02851	0.3
111.04370	0.4
113.02298	1.2
131.03427	0.2
132.09636	0.2
141.01828	2.2
141.05452	4.2
144.07991	0.2
151.03888	100.0
151.04962	6.5
152.04204	1.7
225.07617	0.3
238.57390	0.2
243.08633	1.8
289.15039	0.2
295.44937	0.2
327.07260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16272	0.1
52.03104	0.2
53.03874	0.2
55.01794	0.5
57.03361	0.8
57.03607	0.1
65.03856	0.9
65.04148	0.1
67.05414	0.8
69.03330	0.3
70.06501	0.5
71.01265	0.3
72.08057	0.2
73.02821	0.7
81.03318	0.2
83.14908	0.1
84.08063	0.2
85.02824	3.9
92.10290	0.2
95.01250	3.1
95.04917	0.9
97.02788	0.3
98.97509	0.2
99.00758	0.2
108.02018	1.1
109.02818	0.7
110.07134	0.2
111.04411	1.0
113.02329	1.2
113.03400	0.2
116.98549	0.3
121.02787	0.2
125.05972	0.2
127.03923	0.2
131.03372	0.6
134.99608	0.2
135.94070	0.1
136.01523	0.3
137.05956	0.3
141.01801	2.6
141.05437	3.5
150.06837	0.2
151.03882	100.0
151.04941	5.9
152.04230	2.0
208.14789	0.1
219.01677	0.1
225.07607	0.7
237.02747	0.2
243.08585	1.9
272.57062	0.2
276.36435	0.1
327.07111	0.5
359.12585	0.2
390.46518	0.1
419.15176	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	419.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	0.6
56.04969	1.2
57.06998	1.0
67.05393	1.0
69.06974	1.6
70.06504	1.0
72.04449	0.9
76.31110	0.7
79.05402	0.8
84.08069	100.0
92.63546	0.7
101.10693	1.4
105.07006	1.0
109.06464	1.1
112.07552	0.7
114.38513	0.7
129.10202	75.0
146.11815	0.7
165.12724	2.9
212.16339	1.0
260.03339	0.8
279.62604	0.8
282.62814	0.9
289.68710	0.7
301.73450	0.9
342.71777	0.8
401.31378	1.6
419.32233	8.6
429.17871	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81435	0.6
53.51236	0.5
54.81695	0.7
56.39616	0.6
56.97702	0.5
57.92595	0.6
70.87190	0.6
75.24918	0.8
93.55422	0.7
99.04378	4.9
111.04395	3.5
120.29101	0.8
125.05946	15.9
141.05426	3.5
153.05452	100.0
154.05766	1.0
248.84395	0.8
293.99014	0.7
419.35120	18.0
420.35773	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	420.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96501	8.3
63.59521	1.6
64.31115	1.8
70.06471	2.8
80.14861	1.8
85.02818	2.6
98.97507	15.1
107.04916	20.2
110.97560	1.9
116.98594	11.1
128.98531	2.9
134.09111	2.1
134.99651	8.2
140.06836	4.4
143.00172	2.5
146.01302	2.3
146.99612	7.2
151.03905	4.2
152.98579	3.7
158.99620	4.4
159.09225	1.8
159.65761	1.7
160.17502	1.8
161.01207	4.1
164.02328	8.2
164.88498	1.9
170.99641	4.3
177.00720	12.8
182.03214	2.5
189.00726	4.1
201.00749	2.8
219.01744	25.8
237.02783	63.0
255.03813	3.0
291.07376	2.7
298.42944	2.1
303.07498	16.7
321.08508	59.8
420.11914	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01790	0.5
55.05440	0.7
57.03362	2.8
63.68909	0.4
67.05412	0.5
69.03346	0.7
70.06496	2.8
72.08066	3.4
73.02843	0.8
84.04423	0.7
84.08068	0.9
85.02829	4.7
89.25822	0.4
95.01263	3.1
97.02807	0.9
98.97537	0.7
99.00768	0.6
107.04896	100.0
108.05202	2.1
110.07114	0.9
113.02331	1.0
116.98539	0.8
127.03917	0.6
129.10159	0.8
132.24640	0.5
137.05971	2.0
141.01813	3.8
151.03870	6.3
152.04271	3.3
153.05443	2.5
157.50027	0.4
209.08058	15.1
227.09123	7.2
246.43408	0.5
255.62541	0.5
276.14395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05023	0.2
55.01801	0.4
56.94880	0.3
57.03377	2.5
60.04447	0.4
70.06502	1.7
71.71915	0.2
72.08051	0.6
72.85594	0.2
73.02827	1.1
75.04395	1.4
76.08786	0.3
81.03320	0.3
84.04408	0.5
84.08057	0.4
85.02839	3.1
86.09637	0.4
92.54797	0.3
95.01260	2.7
97.02849	0.5
107.04897	100.0
108.05213	1.8
110.07059	0.3
113.02343	1.0
116.98583	0.4
129.10211	0.4
137.05962	0.4
141.01801	4.2
149.05940	0.3
153.05455	3.4
155.59801	0.2
163.40500	0.3
177.00716	0.3
209.08047	16.9
227.09103	7.7
353.23630	0.3
374.52051	0.3
385.11023	0.6
420.15646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	2.9
55.01816	0.5
56.96496	0.6
57.03375	2.6
62.51863	0.4
63.36972	0.3
66.76670	0.3
67.64578	0.3
69.03002	0.7
69.03347	11.5
70.06503	0.8
70.37045	0.3
71.04893	0.8
73.02831	0.7
74.28247	0.3
78.03371	9.2
80.04922	2.1
81.03336	16.2
84.04420	0.4
84.08068	1.7
85.02829	6.6
86.09625	0.7
87.04389	0.4
93.98986	0.3
96.04414	6.6
97.02831	4.0
98.97564	0.4
99.04409	3.1
105.06967	0.6
106.02859	52.4
107.03207	0.7
107.04884	1.5
109.02831	7.0
116.98557	0.4
117.05415	0.4
124.03909	100.0
125.04269	2.2
127.03880	3.1
127.19081	0.3
129.10179	1.7
133.06441	1.7
135.06503	0.5
145.04948	0.4
149.01262	0.4
151.03854	0.4
152.04204	0.6
161.05937	2.6
164.10452	0.4
166.04996	0.6
169.09880	0.3
182.03235	0.3
193.08553	1.5
232.05992	1.4
250.07057	7.0
258.09631	0.4
268.08090	33.5
269.08270	0.7
273.02612	0.4
276.07571	0.5
420.15005	8.6
429.89645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	7.0
55.01813	9.0
56.96500	7.2
57.03373	11.0
58.33553	1.4
60.04456	2.3
61.02859	9.8
63.50142	1.3
67.05457	2.1
68.99730	1.8
69.03346	23.7
70.06506	22.9
71.04905	2.3
72.08064	7.0
73.02837	29.8
79.05418	1.8
79.15240	1.6
81.03341	20.5
81.06969	2.1
84.04436	6.3
84.08065	7.4
85.02834	67.9
86.09637	6.9
87.00751	16.3
91.05406	49.9
91.19238	1.4
92.10284	2.2
93.06983	2.2
95.04888	14.8
97.02834	32.6
98.97492	2.5
99.04404	3.9
103.03896	2.5
104.69274	1.4
105.01814	10.5
105.06982	2.7
109.02831	17.8
115.03899	3.7
116.98590	2.3
119.04913	6.9
120.08036	3.0
123.04387	68.2
124.05173	10.0
127.03879	22.7
133.04962	7.0
137.05943	2.2
145.04956	7.4
147.04381	28.4
149.01270	1.9
149.09543	2.7
151.07538	3.4
155.07004	100.0
156.07463	2.5
159.02864	6.8
179.07033	9.6
191.07060	3.1
205.12225	2.6
206.05681	1.8
219.01752	2.2
221.08105	7.1
222.18501	2.1
223.13272	2.5
245.08023	2.7
263.09094	8.1
411.89948	1.8
420.25775	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	420.15
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07931	0.6
53.03887	3.3
55.01815	5.2
56.49779	0.6
56.96505	1.1
57.03379	5.8
58.26357	0.6
60.04443	1.2
61.02846	4.8
65.03889	0.9
67.05448	0.8
67.81585	0.6
68.99717	3.0
69.03349	21.0
70.06509	10.5
71.04915	3.1
72.08065	1.4
73.02833	7.1
79.05403	0.7
81.03333	14.1
84.04427	2.9
84.08069	1.8
85.02830	42.6
86.09620	5.3
87.00755	20.0
88.27596	0.7
89.03879	0.8
91.05386	11.9
93.06973	0.8
95.04897	13.0
95.08522	0.9
97.02822	16.7
98.97504	2.8
99.04367	6.3
100.24509	0.7
103.03856	1.2
105.01828	9.5
107.08567	0.8
109.02822	12.3
109.06443	0.8
110.07114	1.3
111.04414	0.9
116.98577	2.7
117.01807	1.2
117.03326	1.7
120.08046	1.7
121.06464	1.7
121.10078	0.8
123.04378	57.8
124.03916	1.3
124.04314	0.8
124.05195	13.1
125.05981	0.8
127.03867	18.7
128.98520	0.8
129.01825	0.9
134.03554	0.8
135.11646	1.0
137.05971	0.9
140.04669	2.9
141.05457	1.1
141.56906	0.8
145.02844	5.5
145.04945	8.1
147.04411	2.9
149.09586	2.6
151.07549	5.2
153.05434	1.5
155.07004	100.0
156.07339	1.3
159.02882	5.1
159.11694	0.9
165.09100	0.8
167.07068	0.9
177.05403	6.5
179.07028	10.1
187.11086	0.7
189.03920	1.5
191.06946	1.6
197.08102	2.6
197.10371	0.8
205.12247	1.1
206.05746	1.6
217.08632	2.1
219.01762	1.2
221.08060	5.3
222.71559	0.7
223.13310	1.5
231.04942	3.1
237.02840	4.0
245.08064	4.3
255.03790	0.9
263.09039	6.2
284.08002	0.8
365.44424	0.9
367.10214	1.2
421.10736	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	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38793	0.6
51.47618	0.6
53.03874	3.0
54.68786	0.6
55.01807	1.3
55.05448	6.8
56.96515	0.8
57.03365	3.5
57.07001	0.8
58.99514	0.7
59.04934	1.0
61.02850	1.7
67.05413	4.3
69.03349	14.6
69.06987	4.7
70.06507	7.3
71.04891	1.6
71.08562	1.0
71.48238	0.7
71.54836	0.6
72.08057	0.9
73.02823	1.0
78.03355	3.7
79.05408	11.1
81.03339	10.9
81.06966	14.2
82.06483	1.1
83.04903	12.1
83.08537	3.8
84.04408	1.9
84.08035	1.0
85.02831	24.7
86.09625	1.2
87.65401	0.7
91.05401	10.1
93.06973	59.5
95.04887	5.3
95.08533	20.1
96.04414	1.7
97.02818	7.3
97.06477	3.2
99.04381	3.3
99.08026	8.0
100.11187	4.9
105.06978	4.2
106.02856	20.1
107.04906	5.8
107.07849	0.9
107.08534	26.7
109.02832	4.4
109.06460	11.4
109.10090	6.6
111.04369	6.0
111.08008	13.4
117.06940	0.9
119.01921	1.1
119.08532	11.7
121.06468	9.4
121.10096	12.2
123.08028	5.0
124.03913	30.6
125.05974	3.8
125.09576	1.4
127.03877	5.4
128.07092	1.0
131.08597	3.2
133.10104	8.4
135.04378	5.4
135.08032	11.3
135.11649	54.6
136.12029	0.9
137.09592	90.7
138.09970	0.9
139.03899	1.2
139.07535	9.6
141.05394	1.1
144.09323	1.1
144.13837	1.1
145.02855	0.9
145.04932	0.9
149.06000	6.1
149.13234	16.9
153.05487	9.9
153.09085	1.6
153.12729	1.7
159.11665	19.7
161.13257	1.1
163.07460	6.5
163.11153	11.8
165.09151	0.9
167.06953	1.4
177.12708	92.5
178.13104	1.5
181.08559	24.1
181.12094	1.3
182.15335	0.9
187.11111	0.9
195.13773	100.0
196.14127	3.3
205.12209	11.5
223.13235	48.5
224.01077	0.9
224.13551	1.0
241.14284	44.8
250.07014	3.8
268.08142	6.5
320.29388	0.9
357.30518	0.9
420.33636	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99104	4.3
55.58837	4.0
57.03368	38.0
57.07016	54.1
61.22554	4.3
67.05430	10.4
69.06974	10.7
71.08546	33.1
73.57307	6.3
76.02959	5.1
81.06985	22.2
81.08846	5.4
83.78233	5.3
85.10101	6.1
95.08498	22.2
97.10091	6.1
98.32656	5.1
101.55643	5.1
147.54138	5.0
154.72574	4.9
311.29379	100.0
341.30338	39.0
385.32892	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.8597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78632	3.9
55.91875	3.6
56.96507	18.5
59.29600	4.1
76.56271	4.0
80.99770	4.2
98.97504	29.4
104.99186	16.1
116.98569	43.8
134.99625	59.9
153.00682	18.2
168.99554	5.9
173.01167	5.3
176.73743	4.6
180.88756	21.9
198.89835	18.6
201.00742	7.4
206.92671	4.9
222.89748	21.2
240.90901	100.0
274.97327	7.7
285.81470	6.1
289.94543	4.7
290.94598	8.1
292.98444	20.9
311.83176	7.5
312.83838	27.6
319.83517	27.5
327.82654	44.2
328.83337	6.7
336.83887	34.5
337.84589	45.8
338.96625	19.3
340.06076	4.9
344.82770	31.9
345.83362	5.1
354.84998	6.1
360.83813	85.6
361.83682	9.4
369.83649	40.5
378.84937	91.7
379.84906	16.3
387.84628	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08139	7.2
52.89439	7.4
55.05457	8.8
69.06992	17.7
81.06976	15.7
84.02151	9.0
85.94919	7.6
93.06997	17.7
95.08543	52.6
104.13068	8.7
105.06981	15.6
107.08541	38.0
109.10081	18.9
119.08530	44.7
121.10102	17.9
133.10091	20.6
135.11685	11.1
136.45947	8.3
143.08533	8.9
145.10100	15.4
146.89470	8.4
159.11649	19.2
161.13306	12.5
171.11659	10.0
173.13272	21.4
175.14758	12.9
191.17897	19.3
217.15857	76.4
233.78525	9.4
421.34708	100.0
448.91705	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	422.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12377	0.7
56.73299	0.7
56.96500	57.0
57.05578	0.8
66.00943	0.8
66.24158	0.8
69.06969	1.0
70.04408	0.8
70.66576	0.8
71.95179	1.7
72.95950	1.7
74.97501	1.8
81.06938	1.2
82.48417	1.1
92.98591	1.0
95.08527	1.0
98.97459	1.0
98.98392	1.5
116.00170	2.0
116.98551	1.4
130.01727	3.9
133.01709	1.0
134.99626	2.3
138.59511	1.0
141.02176	1.1
141.06427	0.8
142.01736	1.4
148.02809	9.5
155.03758	1.2
159.03244	7.0
160.02841	8.8
166.03867	3.7
169.05298	1.1
173.04811	7.7
174.04259	1.8
176.05882	1.1
177.04300	4.0
178.03813	1.3
184.06450	2.0
185.04823	4.0
187.06357	1.4
187.54668	1.2
188.06003	1.2
191.05882	4.6
198.07932	2.2
202.07495	4.2
203.05812	1.3
210.83405	0.9
216.09030	4.7
224.09586	1.6
226.11188	1.4
230.10513	1.3
238.11052	5.8
240.12686	3.8
244.12108	1.4
250.11226	1.3
252.12692	9.8
254.14258	1.5
256.12125	5.9
258.13690	2.2
266.14380	1.3
270.13696	4.7
272.15338	1.3
284.14865	1.3
317.17700	1.4
319.19397	4.1
332.22574	8.6
336.21878	2.1
346.20441	4.2
348.22079	25.0
350.23572	55.6
362.23599	100.0
363.23972	2.1
366.23096	3.9
368.24561	4.0
380.24612	6.3
422.25687	17.3
422.35144	1.3
444.14777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	16.5
57.03132	5.0
57.03374	94.9
57.04436	3.1
57.07012	83.1
59.77755	3.5
64.32684	4.2
67.05422	28.5
69.06976	18.2
71.08183	4.9
71.08546	74.5
75.04391	57.2
81.06956	37.9
83.08518	10.5
85.10101	30.1
89.05920	7.6
89.25161	3.8
93.07007	5.2
95.08542	53.3
95.17207	3.8
97.10088	5.6
109.10083	20.6
123.11656	6.7
131.06985	6.0
135.11696	5.0
162.72726	4.5
167.06964	8.6
239.23682	8.3
313.27255	69.0
387.30893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	2.1
55.58079	1.9
55.75338	2.0
56.96505	25.9
58.30593	2.0
60.04457	22.1
62.06037	2.1
63.80583	1.9
69.03353	2.5
70.06511	22.1
81.03345	3.5
81.07000	2.5
83.06042	3.0
84.04420	15.5
84.08060	5.9
84.95949	4.5
85.02837	10.8
86.09630	73.2
91.05397	3.0
92.10317	4.3
95.08501	2.7
97.02840	3.3
98.97511	100.0
102.05474	11.4
110.07115	3.2
110.97518	2.5
116.98566	96.6
127.03897	2.9
128.98598	17.3
130.04964	3.2
132.10139	32.2
134.99620	71.0
136.07597	3.0
140.00137	2.6
144.08037	4.1
146.99577	17.4
149.01286	2.7
151.03859	4.7
152.04216	3.2
153.00687	9.8
158.99638	15.9
161.01141	9.9
170.99664	5.1
173.04802	3.0
173.07080	4.9
177.00662	37.0
177.22989	2.5
183.06587	4.7
184.06837	3.3
189.00653	4.8
191.05836	17.8
195.01752	3.8
201.49397	2.3
207.10066	2.4
209.06995	3.0
213.00804	2.3
215.05873	5.5
217.07481	3.1
219.01718	29.1
219.05368	5.0
233.06944	5.1
237.02763	76.4
243.05333	11.9
252.85930	2.5
255.03787	5.4
259.08502	2.8
261.06485	14.7
279.03894	2.5
279.07254	4.5
317.09103	4.3
335.09979	21.2
363.09650	27.5
381.10648	79.6
382.11221	2.5
404.12592	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	423.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82158	2.7
56.96493	4.9
57.03352	3.9
69.03339	7.0
70.06509	47.4
71.04870	3.0
72.08056	7.0
72.10263	2.7
75.84794	3.0
79.05398	6.1
81.06983	7.0
84.04424	5.4
84.08068	13.9
85.02818	5.2
86.09613	20.0
86.33492	3.1
91.05364	6.3
93.06966	5.0
95.04856	4.3
101.00819	5.8
105.06955	5.1
107.04897	4.9
109.80518	3.2
110.07108	6.9
119.01876	59.2
119.08555	4.5
120.08047	5.1
121.10117	4.6
124.03885	4.1
136.07552	13.1
137.02888	15.1
143.01869	39.8
159.11751	3.3
161.02928	71.6
165.57202	2.9
174.05576	6.5
203.05244	92.9
216.06561	4.0
277.12723	4.7
288.19495	3.7
321.11578	6.4
336.85370	3.3
363.12720	6.5
423.16412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22456	0.5
54.67289	0.5
54.81888	0.5
55.26008	0.5
56.96500	0.9
61.82192	0.6
63.25651	0.5
67.61445	0.5
74.02352	3.4
84.08083	0.8
90.63808	0.6
91.05395	0.9
98.97521	5.9
107.96764	0.5
115.05412	1.4
116.98554	4.8
117.05685	0.8
117.06989	0.8
118.06490	21.6
118.07308	1.0
120.08115	0.8
128.04939	1.2
130.06491	20.1
131.06015	3.1
132.04456	3.3
132.08072	7.0
134.99608	2.0
142.06525	2.2
143.07280	3.0
144.08047	11.5
145.07574	1.2
146.05992	100.0
147.06299	2.8
155.05986	1.0
156.06750	0.7
157.07579	19.9
158.05989	4.0
158.99615	0.7
159.09161	5.7
160.07550	1.0
169.07526	0.8
170.05956	6.2
173.07057	1.3
174.05472	1.3
175.08653	3.0
177.00697	1.3
185.07045	0.8
188.07031	65.1
189.07364	2.7
190.01390	0.7
201.06506	2.2
203.08118	13.6
204.08420	0.6
205.09703	13.5
218.09608	0.8
219.07570	8.1
221.09143	1.3
230.09569	1.1
231.08960	0.6
232.09949	2.9
233.10689	1.0
237.02846	2.7
243.09052	0.9
245.10680	5.8
256.09943	3.5
257.10635	1.4
258.07849	3.7
258.10983	0.6
259.08572	2.6
259.12244	2.2
260.09286	2.7
261.05737	0.7
261.10138	1.2
269.10721	4.0
270.11414	0.7
271.08633	23.1
271.11539	1.5
272.09256	3.5
273.10175	9.3
274.10626	0.7
285.09814	0.9
287.11703	2.2
297.10141	2.5
298.13498	0.6
299.11630	1.1
307.06879	0.7
315.11166	1.0
317.09164	5.8
332.13971	1.1
342.12231	1.1
343.10730	0.8
346.11679	0.6
360.13458	5.1
377.16071	0.7
381.10590	1.0
388.13013	1.1
405.15424	3.5
406.13843	8.5
423.16690	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	423.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	3.4
56.96498	2.0
57.07005	2.4
67.05411	8.7
69.03333	2.0
69.06976	4.4
70.52274	1.9
76.77547	1.8
79.05400	2.3
81.06986	7.2
83.08528	2.3
84.95921	2.3
86.09625	2.1
91.05410	2.1
93.06982	3.9
95.04880	1.7
95.08550	6.9
98.97501	2.1
107.08505	1.9
109.10147	2.3
116.98586	10.0
119.36935	1.9
133.10023	1.7
134.99654	4.6
140.06625	1.9
145.10153	1.9
146.99748	2.4
177.00728	1.9
283.16943	9.2
322.15286	8.1
337.20526	4.1
339.23087	3.2
403.17892	3.2
423.27118	100.0
424.27478	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	11.1
54.28081	4.8
55.05444	14.5
56.79109	4.6
57.07014	7.7
64.34401	5.6
67.05429	83.6
69.03360	9.7
69.06979	29.8
71.04911	7.3
76.73885	5.9
79.05415	77.0
81.03313	9.7
81.06970	87.5
83.08526	5.9
91.05399	51.2
92.65426	5.2
93.06983	100.0
95.04893	11.5
95.08540	67.3
97.02833	88.6
99.04400	9.6
105.06972	33.8
107.08546	50.9
109.02831	11.6
109.10102	23.5
117.06948	10.2
119.08561	44.0
121.10085	40.7
123.11655	6.3
131.08546	32.3
133.08815	5.4
133.10056	11.8
135.11662	21.6
141.06845	6.6
145.10120	12.0
149.13394	5.4
150.70940	6.0
159.11748	9.0
173.13120	6.6
261.22168	28.5
274.34695	6.5
372.10999	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	423.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81759	3.0
55.05451	6.5
57.07010	4.2
57.84877	2.9
67.05422	13.9
69.06982	19.5
70.66905	3.2
71.03506	3.0
79.05412	7.5
81.06981	32.2
83.08546	3.7
90.40601	3.2
91.05386	15.9
93.06966	36.6
95.08534	7.7
105.06975	14.4
107.08544	17.2
109.10117	7.5
116.07093	4.1
119.08544	18.9
120.32051	3.0
121.10114	13.9
131.08495	3.9
133.10072	15.8
135.11699	3.7
143.08484	6.7
145.10085	6.0
149.13245	6.7
151.07539	3.8
161.09575	19.3
167.07004	62.3
177.16383	3.7
189.09084	45.5
191.06958	21.3
205.08484	25.6
207.10147	100.0
219.10065	5.4
245.11687	6.1
247.13306	3.5
257.11508	3.9
367.22845	6.2
423.28870	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	423.289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78651	1.6
53.00264	2.2
55.05447	10.0
57.06994	2.7
67.05437	15.0
69.06984	35.2
79.05399	10.9
81.06974	49.5
83.01286	2.1
83.08563	3.2
89.05955	2.1
91.05402	11.1
92.10193	3.9
93.06959	21.6
95.04963	1.7
95.08540	24.9
105.06956	14.9
107.08543	20.8
109.10114	10.3
119.08519	9.6
121.06479	2.2
121.10105	17.3
123.11674	2.4
131.08536	3.3
133.10095	10.9
135.11670	3.6
143.08499	3.3
145.10155	2.5
146.07182	2.4
147.11668	3.2
149.05905	2.3
149.13232	3.2
151.07504	6.9
153.05386	2.1
157.10092	2.2
159.11598	3.4
161.05952	1.8
161.09508	16.5
161.13211	2.1
165.09100	2.2
167.07011	43.6
171.07997	3.9
174.06749	3.2
175.07513	2.9
177.16356	1.9
179.07040	1.9
185.13232	2.1
189.09074	38.9
191.07007	16.1
192.07765	1.9
199.11264	2.2
201.09050	2.1
205.08553	17.1
207.10132	100.0
207.12050	3.6
215.10632	2.3
231.10031	2.6
245.11729	2.9
247.13315	2.9
257.11526	2.0
259.13126	2.4
347.91782	1.9
367.22620	7.2
423.28397	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	423.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48008	1.4
53.00251	1.5
55.05440	12.1
56.91619	1.6
57.06998	3.4
61.02449	1.5
62.11221	1.4
62.45503	1.7
65.31871	1.5
67.05437	14.6
67.05735	1.7
69.06989	29.9
71.08550	44.8
79.05396	11.4
81.06980	49.4
83.08548	2.7
88.11197	100.0
89.05943	10.7
91.05398	4.0
91.32555	1.7
93.06970	21.5
95.04916	2.7
95.08530	22.0
97.06417	2.9
97.08839	2.0
97.10161	2.0
99.08070	6.1
105.06978	13.7
107.08556	16.0
109.06439	3.5
109.10110	17.5
119.08521	8.4
121.10078	9.9
123.08015	2.8
129.06995	1.8
133.08510	3.6
133.10120	4.3
135.11661	3.9
137.13242	2.4
143.08559	2.2
145.10066	4.3
149.13219	2.1
151.07565	2.6
159.11684	3.0
161.09567	7.5
165.12688	7.7
167.07019	16.9
175.07481	2.0
187.11087	2.2
189.09134	18.9
191.06950	8.0
205.08569	10.2
207.10149	39.1
231.10205	3.3
239.14769	4.4
279.21606	2.0
280.26291	8.2
287.81317	2.1
291.23160	11.1
348.74548	2.2
378.28922	3.6
378.33615	80.5
378.38336	4.3
379.33969	7.3
399.40237	1.9
423.28946	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	424.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	14.8
55.05442	4.0
57.03378	1.6
57.06996	0.9
58.33794	0.5
60.33790	0.5
61.02852	1.0
62.18126	0.6
67.05431	6.7
69.03346	8.0
69.06982	13.0
70.06509	1.2
71.04912	4.5
71.57488	0.6
72.08060	1.1
73.02841	0.6
74.00554	0.9
76.02656	0.6
79.05404	7.0
81.03336	1.6
81.06974	12.4
81.48407	0.6
83.04904	1.4
83.08543	1.2
84.04425	1.4
85.02827	6.9
85.06469	11.5
86.09622	1.2
91.05396	4.8
92.14710	0.6
93.06970	20.6
95.04888	5.7
95.08527	15.0
97.02822	2.9
97.06463	13.6
99.04384	11.4
105.06980	15.9
107.04868	0.9
107.08540	48.7
109.02831	0.9
109.06468	11.7
109.10103	1.5
110.07151	0.8
111.08025	4.1
112.62253	0.7
113.05943	4.4
114.00032	0.7
116.01642	0.8
117.06939	1.0
119.08507	4.8
121.06461	8.9
121.10102	20.6
122.42827	0.7
123.08025	9.3
125.05946	1.1
130.07736	0.9
131.08514	1.6
133.06424	1.2
133.10141	0.7
135.08012	2.6
135.11671	11.5
139.11131	1.4
143.07050	0.7
145.09012	0.9
145.10114	16.4
147.11649	3.2
149.09587	8.7
151.07506	10.6
153.12726	1.0
156.01059	0.8
157.08578	0.8
163.11145	34.0
165.97665	0.6
167.10643	17.8
167.11984	0.9
169.08560	100.0
173.09566	3.7
177.05420	0.9
181.12181	17.4
185.11731	2.4
191.10628	12.9
209.11687	8.0
214.01529	0.9
227.12737	91.6
228.13240	1.0
245.13771	7.3
279.22784	0.7
330.79471	0.7
446.59689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	2.6
55.49331	1.4
56.51271	1.3
56.99887	1.2
57.04520	1.2
57.07013	13.3
67.05442	1.7
69.07000	1.4
76.58617	1.3
77.94650	1.3
81.06970	3.0
86.09610	20.1
91.05399	2.1
93.06957	2.8
104.10664	2.1
105.06961	7.6
107.04813	1.5
107.08521	2.8
119.08533	18.5
121.06464	1.9
121.10094	33.9
133.10066	16.6
147.11649	26.2
160.08801	1.5
175.11143	15.7
177.12738	1.7
283.16843	100.0
318.51596	1.7
339.23096	42.4
424.31616	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80872	0.9
53.00255	0.9
55.05453	3.5
57.07016	1.9
64.80884	0.9
65.14413	0.8
67.05431	9.7
69.06985	14.5
71.08532	1.5
79.05411	7.9
81.06975	50.1
82.07310	6.3
83.08555	1.1
89.05952	18.6
91.05396	4.1
93.06960	10.1
94.07314	1.0
95.08533	17.3
95.44260	0.8
96.08833	1.5
105.06990	3.6
107.08525	6.7
109.10113	12.5
110.10453	1.3
119.08511	6.2
121.06461	9.9
121.10072	5.5
122.07249	1.6
123.08039	1.2
123.11626	1.5
133.08575	6.4
133.10098	1.4
135.08025	1.5
135.11659	2.3
136.08823	12.5
137.09579	15.9
137.13266	1.3
138.09935	1.1
147.11737	1.1
149.09610	2.2
151.16878	1.1
152.08270	1.0
159.11620	1.3
159.38055	1.0
164.08284	25.6
165.09073	100.0
166.09375	7.4
177.09131	2.8
179.10594	1.3
187.11148	0.9
188.08287	1.2
189.09064	1.8
189.12721	1.2
191.10616	4.3
203.10628	16.2
205.12120	8.4
206.01512	1.1
220.14476	1.4
239.14735	11.8
310.54086	1.0
320.78723	0.9
424.33194	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49226	9.4
55.05442	14.4
56.96512	10.9
57.69875	8.4
60.04469	11.9
67.05405	12.2
69.06979	17.8
70.06510	100.0
72.08058	43.2
72.30858	9.7
79.05383	20.4
81.03343	12.7
81.06957	17.5
84.04443	17.4
84.08051	19.6
85.02836	41.3
86.09621	20.6
91.05407	23.8
93.06966	16.0
95.04904	19.7
95.08514	23.1
97.06542	9.4
100.11202	14.3
105.06973	12.6
107.04877	13.0
108.70687	9.5
109.05211	10.2
109.06454	12.8
123.08025	13.9
143.08563	11.9
147.04408	14.2
353.22681	10.9
353.84192	11.3
373.45999	13.4
389.24081	14.2
397.46036	12.3
425.08167	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87889	6.2
53.03888	8.4
54.81663	6.2
55.05438	12.1
56.04947	8.7
56.96476	6.1
57.03354	13.0
61.02849	7.7
67.05399	13.1
69.03345	16.3
69.06974	10.5
70.06504	100.0
71.13618	6.7
72.04408	6.0
72.08065	41.4
74.81733	6.1
81.03344	9.7
81.06950	30.0
82.99605	6.7
83.04874	8.5
84.04408	38.1
84.08054	39.2
85.02821	75.3
85.06477	12.5
86.09612	37.6
90.05448	7.6
91.05358	12.1
92.64261	8.6
93.06944	16.2
95.04885	17.8
97.02794	32.4
98.05972	7.5
98.97524	8.6
99.04375	41.8
103.03851	49.0
107.08544	17.6
109.02827	16.4
110.07040	10.6
113.07151	7.1
120.08038	8.1
121.10112	7.7
123.11599	7.3
124.03864	8.4
127.03894	83.1
133.10104	8.6
134.99629	7.0
145.02731	10.1
147.04333	25.2
156.48868	7.5
163.05978	12.7
167.36089	7.1
177.05156	7.1
193.05020	11.9
207.86169	8.0
225.40353	8.0
240.47795	8.3
293.03622	6.9
323.16843	10.3
415.26318	10.0
425.09900	26.9
425.16275	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2658
Annotation	Arg Ile His
Peak:m/z	Relative Intensity
51.12650	2.0
55.05434	4.0
57.07014	3.4
59.30510	2.5
62.11166	2.6
67.05423	5.8
69.07009	7.7
71.21953	2.2
79.05450	2.7
81.06982	18.0
89.05969	20.5
95.08521	11.6
101.99968	2.4
104.95831	2.4
105.06934	2.3
107.08570	3.8
109.10107	3.5
112.99987	4.2
151.88594	2.8
180.14609	2.4
206.36606	3.1
239.14774	5.5
342.91415	2.4
421.81335	2.7
425.26382	100.0
428.55417	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00255	0.6
55.05455	3.9
56.96508	0.4
57.03135	0.5
57.03377	8.8
57.06735	1.1
57.07014	30.9
67.05429	6.2
69.06996	5.6
71.08546	16.6
79.05428	0.6
81.06981	7.5
81.49798	0.4
81.57135	0.5
83.08524	3.9
85.10107	8.5
89.05945	1.1
91.73748	0.4
93.07005	0.7
95.04908	0.5
95.08531	10.2
96.64258	0.4
97.10110	1.1
98.21284	0.5
109.10101	3.9
112.99968	100.0
122.47613	0.5
123.11631	1.0
127.45517	0.5
131.01003	0.7
133.08548	0.5
136.37796	0.5
161.13130	0.5
169.02582	57.6
170.90488	0.5
187.03746	1.0
239.23686	0.6
313.27304	27.2
314.27808	0.7
407.25565	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	4.5
54.82148	3.7
55.01794	8.8
55.05448	31.0
57.03344	4.6
64.61206	3.9
67.05425	96.3
69.03333	9.2
69.06993	36.3
71.04897	9.4
71.08505	4.4
79.05393	19.5
81.06577	6.0
81.06985	100.0
83.08541	10.3
85.02779	4.6
91.05404	17.6
93.06955	30.6
95.04892	6.7
95.08519	61.8
97.02835	87.8
99.04395	35.2
105.06945	15.9
107.08523	9.9
109.02805	6.3
109.10109	25.0
119.08543	7.4
121.10080	17.4
123.11658	7.2
127.03889	11.1
133.10106	5.4
142.16872	5.0
149.13123	7.3
184.07300	5.1
245.22813	4.7
253.31480	4.3
263.23557	10.8
425.35730	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	2.9
55.01808	8.3
55.05221	1.5
55.05455	28.2
57.03365	3.0
57.07013	2.8
67.05428	100.0
69.03349	9.6
69.06989	28.1
71.01267	1.7
71.04900	1.6
73.26869	1.2
76.59501	1.1
79.05413	20.5
81.03342	11.0
81.06976	90.6
82.07303	1.4
83.04871	2.4
83.08546	12.7
91.05410	18.8
91.87866	1.1
93.06979	28.1
95.04894	2.9
95.08533	63.9
97.02821	59.4
97.06439	2.8
97.10097	3.0
99.04375	13.0
99.08031	1.7
105.06972	15.1
107.08547	17.7
109.02818	9.0
109.06460	1.5
109.10117	20.9
111.08056	2.3
117.06946	1.7
119.08543	12.0
121.10091	10.0
123.11694	13.8
127.03864	14.9
129.06984	1.3
131.08539	2.2
133.10098	9.4
135.11624	6.5
137.13232	2.1
145.10054	2.2
147.11691	7.4
149.13229	6.2
160.04623	1.3
161.13234	6.7
163.14749	2.9
173.13225	2.4
175.14830	2.4
193.96936	1.2
195.23857	1.3
215.24605	1.6
245.22639	4.9
255.31906	1.2
263.23642	27.0
331.26321	7.3
341.25000	3.7
359.25684	7.2
425.35995	1.9
426.37088	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	425.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56251	5.6
53.03897	5.6
55.05443	38.4
57.07005	28.8
67.05418	90.5
69.03345	27.5
69.06983	43.3
71.04899	8.1
79.05412	38.1
81.03326	11.6
81.06970	86.7
83.08540	12.2
86.09610	52.8
91.05426	49.4
93.06946	61.6
95.04896	12.4
95.08519	77.5
97.02847	12.9
98.97504	8.2
105.06980	65.5
107.08530	46.4
109.10107	36.8
117.06915	15.0
119.08529	55.5
120.08826	7.2
121.06493	8.4
121.10098	72.3
122.10448	10.3
123.04384	11.1
131.08548	15.1
133.10081	33.9
135.11665	12.4
145.10075	9.5
147.11668	52.5
148.12045	10.3
149.01262	6.9
158.10609	8.8
159.11751	7.3
175.11218	10.8
176.11401	8.8
183.78929	6.4
211.23286	7.8
225.53467	7.2
245.04947	6.9
283.16867	100.0
284.17188	92.9
339.23148	34.0
340.23444	47.6
371.25687	9.2
389.26483	11.7
407.27536	27.0
425.27783	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	425.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74345	0.7
53.03863	0.8
55.05438	5.5
57.07004	3.8
60.37728	0.7
62.57967	0.7
67.05431	17.3
69.06987	19.6
70.37711	0.7
72.22345	0.9
79.05407	14.0
81.06976	100.0
83.08542	2.2
89.05960	7.0
91.05394	4.5
92.10205	3.1
93.06973	22.2
95.04875	1.9
95.08535	33.9
97.10062	1.3
98.46255	0.9
105.06961	7.0
107.08536	12.8
109.06432	0.8
109.10106	16.7
119.08535	5.5
121.06466	1.7
121.10088	12.9
123.11680	7.5
130.22205	0.9
133.06451	1.7
133.08549	3.1
133.10066	2.1
135.11650	6.1
137.05899	1.4
137.13234	4.5
139.07504	1.4
145.10072	1.3
147.11665	1.1
149.05949	3.3
149.13194	6.5
151.07465	0.9
153.05327	1.1
159.11707	1.6
165.09076	1.0
167.05544	1.1
167.06984	27.8
173.09474	1.1
177.16328	1.2
189.09132	1.7
191.10585	1.1
195.81485	0.9
205.08583	1.1
207.10103	5.8
213.42101	0.9
233.11514	1.3
268.69061	0.9
275.16281	1.5
300.20023	0.9
425.30255	5.1
427.78836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81736	0.9
55.05455	7.6
55.05672	0.8
55.51965	0.8
67.05427	15.5
69.06991	22.3
76.90453	1.0
79.05403	14.0
81.06975	100.0
83.01283	1.0
91.05392	4.8
93.06966	18.6
95.04916	1.1
95.07955	1.7
95.08534	35.2
105.06963	6.3
107.08535	12.8
109.10096	13.2
116.62176	0.9
119.08515	4.6
121.10092	12.0
121.46901	1.0
123.11652	6.7
133.10062	1.9
135.08006	1.2
135.11615	7.2
137.13210	5.2
139.07448	1.1
147.11613	3.5
149.13228	4.8
151.07500	1.8
161.13257	1.1
166.38194	0.9
167.07013	36.1
177.16307	1.7
189.16351	1.1
203.18004	1.0
207.10159	4.0
215.10583	1.8
233.11580	3.6
259.24268	1.3
276.38931	1.1
283.31985	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42151	3.4
54.82317	4.3
65.16321	4.0
67.05424	15.8
69.06995	32.1
71.50312	4.1
77.85670	4.4
79.05392	8.6
81.06974	85.0
86.09619	100.0
89.05972	8.6
93.06998	14.5
95.08537	24.9
107.08527	9.3
108.04340	4.1
109.10075	5.1
121.10120	6.3
136.28125	5.4
137.13239	5.0
141.67480	4.7
167.07022	23.9
207.10135	4.4
239.14775	5.6
352.31039	4.4
352.35541	6.7
386.95245	4.8
392.38950	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	426.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	13.5
57.03376	30.1
57.07014	66.2
65.03863	3.0
67.05433	16.0
69.06987	19.0
69.62183	2.9
71.08552	44.3
77.29467	2.7
81.06966	19.4
83.08540	6.3
84.90427	2.9
85.10109	17.2
95.08534	28.9
95.93979	2.7
97.10099	4.6
101.01717	3.0
108.70540	3.4
109.10138	6.8
123.08048	3.6
146.73978	3.1
285.24179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58527	0.7
55.05447	4.1
56.34115	0.8
56.54932	0.9
57.03371	7.1
57.07010	38.9
62.06015	21.5
62.95026	0.8
67.05426	7.1
69.06978	6.7
71.08545	23.4
81.06977	10.6
83.08541	3.7
85.10102	11.1
89.05927	1.3
93.06957	1.4
95.08537	15.3
95.88829	1.0
97.10104	1.9
98.98383	9.5
103.07495	1.5
109.10072	8.4
111.11627	1.4
115.07962	0.9
123.11650	4.1
124.01593	1.8
148.70981	0.9
152.19366	1.0
155.01057	4.0
184.55681	1.0
211.20546	1.9
216.06398	1.3
226.09406	1.2
254.24689	16.1
262.48792	1.0
269.89783	1.1
285.24179	100.0
286.24429	3.6
365.20935	7.7
408.25043	5.2
426.26105	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	426.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	1.1
55.11495	0.6
57.07003	0.7
57.81570	0.6
62.03338	0.7
67.05419	4.4
69.06986	1.3
74.09624	1.1
76.56812	0.9
79.05399	3.8
81.06989	5.9
83.85171	0.7
89.05956	1.2
89.13274	0.7
91.05407	3.4
93.06953	6.7
95.04885	0.7
95.08521	4.1
102.73409	0.8
103.05392	6.3
105.06969	1.6
107.08559	1.4
109.10103	1.5
109.78120	0.7
120.08057	100.0
121.10069	1.6
131.04895	1.7
131.28131	0.7
145.10143	0.9
149.05911	1.0
149.13231	1.0
166.08598	17.9
199.22920	0.9
202.10095	0.9
312.25986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	1.2
55.05439	2.0
57.03359	1.5
61.02841	0.9
63.57125	0.8
67.05424	6.4
67.40014	0.8
69.03339	6.6
69.07003	1.2
70.06503	5.5
71.04895	4.4
72.08068	1.2
72.59012	0.9
75.04398	0.9
76.31226	0.8
79.05416	3.9
81.03382	1.0
81.06972	4.4
83.04911	2.8
84.04448	1.5
84.08047	1.2
85.02829	8.3
85.06457	6.8
86.09631	3.6
91.05396	2.0
93.06968	3.9
95.01234	3.1
95.04906	1.6
95.08530	4.6
97.02832	1.7
97.06457	1.2
98.97528	1.6
99.04366	1.0
102.05463	0.9
105.06941	1.4
107.08538	1.8
109.02839	1.7
109.06410	1.1
109.10137	0.9
109.85081	0.8
110.03616	17.1
111.04381	5.1
111.08048	1.5
116.98585	2.0
119.08517	3.9
123.04332	1.7
125.05950	66.6
125.09573	1.4
127.03881	2.0
132.10210	1.2
133.06075	1.0
133.10114	1.5
134.99605	1.9
139.03885	13.7
149.13199	1.2
151.03860	3.5
153.05446	100.0
154.06227	39.4
154.07138	1.1
155.03358	1.6
156.04193	0.9
170.05653	7.9
177.00722	1.3
185.08055	88.7
186.08647	1.0
211.16895	3.3
229.17932	4.0
247.19173	1.1
263.51334	1.0
265.14331	3.6
265.20001	1.8
427.19330	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	427.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69403	0.9
55.05441	5.3
56.04978	1.5
56.59311	1.0
56.96504	1.1
57.03358	2.3
57.07003	1.0
61.53451	1.0
62.88641	1.1
67.05420	3.0
69.03338	1.9
69.06974	2.4
70.06508	11.9
71.04899	2.4
72.08062	5.8
79.05424	1.8
81.06973	10.7
84.04422	7.3
84.08064	5.4
85.02811	9.8
85.06449	5.8
86.09615	5.4
91.05371	1.6
93.06945	4.9
95.01260	2.0
95.04927	1.5
95.08525	6.8
97.02791	2.4
98.97482	2.1
99.07990	1.8
101.05922	2.1
103.03885	1.4
105.06940	2.6
107.08556	1.6
109.02808	1.7
110.03583	14.0
110.07114	2.7
111.04399	1.8
116.98555	2.1
119.08524	2.2
120.08059	2.9
123.04359	1.4
123.97961	1.3
125.05950	62.5
127.03828	5.8
129.10216	3.0
133.10034	2.2
134.99649	1.4
135.11652	1.6
136.06136	10.3
139.03860	8.4
141.05463	1.4
145.02838	2.7
146.99622	1.2
150.07747	13.8
152.90889	1.2
153.05432	100.0
154.06224	40.3
155.03226	1.4
170.05666	5.8
177.05431	2.6
185.08047	98.2
211.16945	2.7
229.17929	2.9
235.82208	1.3
237.02745	2.4
246.18364	1.2
247.19225	1.7
265.19965	4.3
283.59894	1.2
308.62405	1.3
427.14276	1.4
427.19266	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	427.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04852	0.1
55.01814	0.1
55.05456	0.2
56.04952	0.2
56.96478	0.1
57.03359	0.2
57.04485	0.5
57.07005	0.2
61.02852	0.1
62.42267	0.1
67.05420	0.5
69.03342	0.2
69.07002	0.1
70.06507	2.2
71.04910	0.2
72.08061	0.9
72.68391	0.1
73.02802	0.1
74.05982	0.1
74.77895	0.1
78.03358	0.1
79.05402	0.3
81.06986	0.8
84.04419	0.6
84.08064	0.5
85.02816	0.3
86.09624	0.2
91.05375	0.5
93.06963	0.2
94.03983	1.6
95.08517	0.2
96.05527	0.2
97.02827	0.2
98.97501	0.1
99.08019	0.2
105.06966	0.5
107.08509	0.3
108.04301	0.1
109.06478	0.2
110.07085	0.2
112.05034	0.3
112.31705	0.1
116.07047	0.1
119.08538	0.2
120.08023	0.2
121.10113	0.1
123.06638	1.1
123.08031	0.1
129.10181	0.3
133.05037	0.6
133.10057	0.2
135.05409	0.2
141.38426	0.1
148.06180	0.2
149.01213	0.2
150.07722	100.0
151.08052	0.6
161.09560	0.2
177.04277	0.2
186.99110	0.1
243.44948	0.1
272.03052	0.1
282.11908	0.2
295.11432	11.1
296.11850	0.2
308.24319	0.1
363.83508	0.1
373.24716	0.1
427.19327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3027
Annotation	Leupeptin
Peak:m/z	Relative Intensity
54.22789	1.1
55.05449	2.3
57.06993	2.2
62.51662	1.3
67.05423	2.4
69.06979	3.5
71.22925	1.5
74.62295	1.2
79.05387	2.2
81.06964	8.8
83.08517	1.8
91.05368	1.5
93.06944	2.8
95.08531	7.6
105.06973	2.8
109.10066	1.7
119.08554	1.9
120.08071	1.7
121.10022	1.6
135.08080	1.5
135.24663	1.4
151.07532	5.8
173.09496	2.4
427.30203	100.0
427.36035	3.5
428.30615	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	427.32
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	5.8
63.59372	1.0
66.39249	1.1
67.05423	6.7
69.06987	10.8
71.62175	1.3
71.87562	1.1
72.15961	1.2
79.05407	6.3
81.06976	14.2
83.08527	1.4
91.05399	2.9
93.06965	6.6
95.08552	13.5
97.06478	1.5
105.06988	7.0
107.08556	8.1
109.06496	1.5
109.10108	3.0
110.50866	1.3
111.11658	5.8
119.08580	2.7
121.10100	2.7
121.28056	1.4
123.08034	14.8
133.10133	3.2
135.07947	4.8
135.11642	2.5
150.06776	1.3
151.07527	100.0
151.32562	1.3
152.07872	5.6
163.11082	1.8
166.07617	1.2
189.09053	2.3
189.16101	1.6
191.10562	9.9
259.16965	2.1
409.30737	1.6
427.31561	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	427.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09975	2.2
53.03883	2.7
55.05454	19.9
57.07005	6.5
57.84160	2.5
58.45915	2.8
67.05438	38.8
69.06992	50.3
71.04887	2.6
72.04438	3.8
72.38044	2.5
79.05419	21.0
81.06976	100.0
82.07330	3.8
82.74486	3.1
83.01256	5.2
83.08533	6.7
88.02135	6.1
91.05407	11.5
93.06966	50.8
95.08540	61.9
97.06451	15.0
97.10109	3.8
100.03899	2.7
105.06980	29.0
107.08546	35.1
109.06489	23.4
109.10124	37.1
111.04364	3.5
119.08534	23.1
121.06464	3.6
121.10088	37.9
123.08018	7.0
123.11661	15.5
128.18053	2.9
131.08537	4.9
132.97850	3.2
133.10100	17.9
133.85655	3.1
135.08028	12.6
135.11642	17.1
137.05963	3.9
137.13243	11.5
142.07726	3.3
145.10103	5.8
147.11613	11.4
149.13213	10.6
151.07501	24.4
161.09602	6.4
161.13297	4.8
163.14752	11.4
167.06984	15.7
175.07588	4.4
175.11183	4.0
175.14687	3.8
177.09091	4.1
188.08211	3.5
189.09012	4.8
192.63643	2.9
208.02544	3.1
217.12216	4.7
277.17520	3.2
287.20157	3.8
291.19482	3.9
427.31818	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	20.3
57.07016	7.9
63.32332	4.5
67.05426	43.6
68.65608	4.7
69.06985	35.2
71.20351	4.7
79.05403	23.8
80.49162	6.2
81.06974	100.0
93.06947	40.7
95.08533	79.7
97.10110	5.8
105.06970	9.5
107.08548	40.7
109.06457	6.2
109.10109	39.7
111.11659	7.1
119.08527	11.0
121.10125	28.3
123.07967	6.9
123.11655	13.6
133.10103	12.3
135.11629	9.2
137.09650	6.1
145.10133	6.3
147.11652	7.2
149.13220	13.0
156.09302	6.8
161.13350	6.4
167.07040	12.5
209.11671	5.5
224.95749	5.1
227.87766	6.7
230.24858	7.1
269.71265	5.5
394.87787	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	427.3208
Annotation	Dankasterone B
Peak:m/z	Relative Intensity
53.03883	1.8
53.36975	1.1
55.01804	1.7
55.05452	24.5
57.07007	7.1
61.21097	1.4
67.05132	1.5
67.05440	33.4
69.03353	1.5
69.06987	44.0
79.05413	25.2
81.06978	100.0
82.07290	2.6
83.08543	13.5
85.02819	5.7
85.89082	1.4
86.18439	1.5
91.05421	14.3
93.06973	42.9
95.04891	6.2
95.08539	71.5
95.09146	2.5
97.06446	3.1
97.10090	7.3
105.06983	27.9
107.07864	2.9
107.08550	49.0
108.07030	1.6
109.06477	14.9
109.10105	49.5
111.11683	2.2
113.02324	7.6
117.06970	3.0
119.08544	27.2
121.06454	6.8
121.10101	34.0
123.04397	1.7
123.08006	8.7
123.11665	18.2
131.08524	8.3
133.10078	13.5
135.08000	9.8
135.11661	17.6
137.05972	2.6
137.09554	2.3
137.13217	6.3
139.07529	3.7
143.08578	2.4
145.10092	11.9
147.11697	9.5
149.13271	18.4
155.07022	3.2
156.09302	3.7
157.10123	6.9
159.11647	7.8
161.09587	3.1
161.13229	7.7
163.07498	2.3
163.11157	2.3
163.14806	9.2
167.06976	14.9
168.07410	1.8
171.11642	8.6
173.09540	3.0
173.13266	2.9
175.11179	2.4
175.14763	3.5
177.16333	2.8
181.08604	2.4
187.14870	2.0
189.12755	2.3
199.14700	1.8
205.19440	2.5
209.11674	2.3
211.14642	2.9
235.13182	3.3
345.24429	1.7
427.31296	5.5
427.36179	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	427.3568
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
54.41129	3.0
55.05437	6.9
57.07007	16.7
66.87854	3.2
67.05414	7.4
69.06991	18.1
71.08547	8.8
79.05412	14.1
81.06989	35.8
81.74773	3.3
83.08519	5.0
85.10121	5.5
86.60197	3.3
91.05402	4.2
93.06951	14.2
95.08527	28.5
97.43040	3.7
100.38451	3.5
107.08533	17.1
109.06461	15.4
109.10117	16.3
121.10088	6.0
131.08484	4.1
133.09927	4.0
135.11670	15.2
137.05978	22.3
145.10066	5.2
163.14726	4.9
173.09642	6.0
173.97310	3.6
185.91772	4.7
193.90318	3.7
303.26999	4.6
427.29800	4.3
427.35611	100.0
428.35953	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	427.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03870	1.4
53.34796	1.4
55.05447	10.6
57.07000	2.8
67.05428	12.6
69.06992	17.7
71.08543	2.2
73.82898	1.6
79.05414	10.4
81.06979	41.5
82.07301	6.4
83.04899	3.1
83.08524	6.7
91.05421	7.0
93.06970	14.3
94.07312	1.8
95.08530	27.8
97.06461	83.6
97.07086	3.0
104.12065	1.6
105.06976	10.6
107.08540	13.4
109.06467	100.0
109.10107	11.1
119.08549	9.2
121.10098	7.6
123.08015	14.8
123.11687	2.3
123.70665	1.6
131.08563	3.6
133.10086	6.8
135.11687	3.5
137.13231	2.3
143.08572	2.2
145.10118	2.2
151.07497	2.2
157.10089	2.7
159.11668	2.6
167.07002	10.8
168.07362	3.0
173.13214	3.1
269.18893	1.9
398.64035	1.7
409.34595	8.5
427.30777	1.9
427.35724	38.2
428.35641	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3567
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
53.44116	5.3
55.05447	61.9
57.07005	6.9
67.05404	7.4
67.28234	5.9
69.06979	51.0
77.50655	6.0
81.06961	28.6
83.08543	100.0
92.22688	6.0
95.08542	8.0
101.52023	7.0
102.88107	7.5
107.08435	7.7
121.44107	6.8
330.15891	7.3
427.35522	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3565
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
55.05436	12.7
57.07002	5.7
61.20316	2.7
67.05436	21.0
67.05727	2.6
69.06981	17.0
72.04431	25.5
79.05408	14.4
81.06973	54.6
83.04914	2.9
83.08544	7.4
85.04445	3.3
86.72485	3.2
91.05396	5.8
93.06973	12.5
95.08540	40.7
96.64062	2.8
97.06461	97.5
97.10114	4.5
105.06965	6.3
107.08523	16.3
108.34026	2.9
109.06474	92.0
109.10126	31.5
110.38339	2.8
119.08532	12.5
121.10055	13.1
123.08009	5.9
123.11643	4.7
133.10051	3.8
137.13232	6.0
143.08482	3.0
147.11707	4.7
149.13284	5.6
161.13112	3.4
201.16451	4.0
222.52394	3.2
248.16435	3.5
271.20627	3.8
309.34222	2.9
409.34485	13.5
427.35141	100.0
428.35721	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81198	1.1
55.05454	14.2
56.61898	1.1
57.07003	5.3
60.05591	1.9
64.32933	1.2
66.13886	1.2
67.05424	24.2
69.06998	19.6
72.04444	2.4
79.05412	18.3
81.06975	58.4
82.07315	2.4
83.04906	8.6
83.08555	8.6
91.05421	7.0
92.10308	1.9
93.06971	16.0
95.04906	1.8
95.08536	42.1
96.08910	1.5
97.06464	99.9
97.10091	2.2
98.06808	1.6
105.06989	9.2
107.08550	16.2
109.06474	100.0
109.10108	29.1
110.06797	3.3
119.08563	11.0
121.06426	3.0
121.10094	10.9
123.06565	1.4
123.08019	15.8
123.11689	8.2
131.08571	2.5
132.04729	1.8
133.10153	6.7
135.11710	7.5
137.13300	7.1
143.08540	2.1
145.10136	5.5
147.11707	8.9
149.09534	1.6
149.13307	5.5
155.08525	1.5
157.10062	2.5
159.11684	6.3
161.13295	2.1
163.14771	2.7
168.07188	1.5
168.19464	1.6
171.11708	2.2
173.13271	5.2
175.14818	2.3
177.12643	2.1
187.14810	2.1
199.14894	1.6
205.19498	1.3
217.19490	2.1
258.04471	1.4
271.20560	2.0
299.23865	2.0
409.34698	2.9
427.35718	68.0
428.36121	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	428.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	0.6
55.05449	6.2
56.04953	0.7
57.03360	1.2
58.06527	1.3
60.08096	24.2
67.05406	1.1
69.03339	0.9
69.06988	0.9
70.06506	4.9
70.25003	0.5
71.07285	9.7
72.08070	2.2
76.45553	0.6
79.05389	2.9
81.06963	2.2
83.08535	4.1
84.04425	1.0
84.08047	2.3
85.02803	0.7
86.09626	78.5
91.05371	0.6
91.27947	0.5
93.06962	0.6
95.08540	1.0
97.10108	6.7
98.98389	4.9
104.10677	100.0
105.06921	0.7
105.10930	0.5
107.08531	2.6
109.10089	1.1
110.07062	0.8
120.08053	6.0
124.99963	38.1
125.09594	5.6
129.10217	0.7
130.09724	0.7
134.05972	0.5
135.07956	0.8
140.99413	0.5
143.01015	0.7
146.05975	1.1
159.09106	0.9
162.05495	0.6
163.01514	0.5
177.71909	0.5
184.07300	99.1
188.06973	2.4
189.11192	2.2
227.12617	0.6
245.13751	2.5
293.10730	0.5
410.19278	4.8
410.27097	0.6
428.14432	1.0
428.20288	30.4
429.20554	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	428.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	1.4
56.04967	0.6
57.07016	12.4
58.29905	0.3
67.05433	1.6
69.06985	1.7
72.04433	45.2
72.08062	0.5
72.99793	2.1
73.04770	0.4
76.95679	0.3
79.05414	1.6
81.06988	3.4
83.04883	0.6
83.08533	0.8
85.02837	0.4
86.09621	0.6
86.11629	0.4
88.02142	100.0
89.02462	0.4
91.05402	2.4
92.63715	0.3
93.06983	2.6
95.08540	4.2
95.19574	0.3
97.06469	5.4
97.07457	0.3
97.10118	0.4
103.68690	0.4
105.06997	1.7
107.08585	1.3
109.06454	4.2
109.10121	2.0
119.08527	4.5
121.06441	5.2
121.10119	0.7
123.08041	0.6
123.11703	0.5
131.08557	0.5
133.10104	2.0
135.08017	0.8
137.04182	1.3
137.09608	4.9
137.50595	0.4
149.09604	0.6
149.13252	0.8
159.11681	0.7
161.09564	2.7
165.09169	0.5
177.12721	15.6
178.07732	0.4
180.08441	1.7
196.07825	5.4
208.07939	3.3
252.14241	3.1
264.14148	8.9
287.20010	2.1
301.71066	0.4
316.13635	10.2
330.77454	0.4
372.19870	19.4
373.20212	1.6
390.14883	0.4
427.35657	1.9
428.26184	7.2
428.36020	2.2
429.31549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07015	4.2
66.62720	2.8
69.06981	5.2
71.30853	2.5
81.06954	4.5
95.08516	4.7
96.45509	3.4
96.95506	3.2
104.99221	7.5
117.13754	3.3
155.00853	3.3
169.97169	3.1
209.89082	2.8
252.37625	3.6
284.56058	3.8
346.27029	100.0
370.58398	3.4
379.70871	3.8
428.32144	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	428.3153
Annotation	Tortifolisine
Peak:m/z	Relative Intensity
55.05444	1.4
57.06999	1.0
67.05427	6.9
67.71407	1.0
69.06985	4.1
76.24444	0.9
79.05417	2.2
81.06972	6.9
83.08550	1.5
86.09624	1.7
86.30376	0.9
91.05392	1.0
93.06982	3.9
95.08554	7.8
95.09064	1.0
99.14478	0.9
103.05408	5.7
105.06969	1.9
107.08529	1.7
109.10117	1.9
119.08641	1.1
120.08057	100.0
121.10112	1.3
123.57353	1.0
131.04942	1.4
133.10176	1.1
151.07535	1.6
159.11589	1.1
166.08603	19.4
169.09299	1.0
279.19760	0.9
393.29910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03643	0.9
53.03881	0.9
53.45261	0.6
55.05457	1.5
59.24770	0.8
62.92182	0.8
66.26305	0.8
67.05424	2.1
69.06988	3.6
69.96957	1.0
71.08529	3.5
79.05410	1.4
81.06968	5.0
83.08540	1.0
83.69269	0.8
91.05382	5.3
93.06984	11.1
93.10930	1.0
95.04893	4.3
95.08529	5.5
99.08053	1.0
103.05401	5.7
105.06929	1.3
107.08524	3.3
109.06448	5.6
109.10059	1.1
119.08505	1.0
120.08022	4.4
121.06460	100.0
123.08007	0.9
138.09103	12.8
147.11580	1.3
165.12743	5.8
191.03180	1.0
291.23129	4.1
428.31570	17.4
429.31876	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	428.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84818	1.0
54.56394	1.0
55.05447	5.6
57.07006	6.9
57.46702	1.1
66.17818	0.9
67.05426	2.1
67.37305	1.2
69.06979	7.0
71.08542	1.3
81.06963	2.7
84.08051	4.2
91.05414	1.4
95.08522	2.5
97.10075	1.6
110.09602	4.8
119.08543	1.9
122.09628	1.8
131.08539	1.6
133.10153	1.1
136.82310	1.0
157.10065	2.3
159.11778	1.3
169.02557	1.2
224.23703	2.7
260.19986	9.2
275.30133	1.1
313.27353	2.4
428.38803	100.0
429.39215	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	428.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84818	1.0
54.56394	1.0
55.05447	5.6
57.07006	6.9
57.46702	1.1
66.17818	0.9
67.05426	2.1
67.37305	1.2
69.06979	7.0
71.08542	1.3
81.06963	2.7
84.08051	4.2
91.05414	1.4
95.08522	2.5
97.10075	1.6
110.09602	4.8
119.08543	1.9
122.09628	1.8
131.08539	1.6
133.10153	1.1
136.82310	1.0
157.10065	2.3
159.11778	1.3
169.02557	1.2
224.23703	2.7
260.19986	9.2
275.30133	1.1
313.27353	2.4
428.38803	100.0
429.39215	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	429.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03518	0.4
55.29864	0.3
55.87679	0.3
65.03848	4.8
66.44347	0.4
69.03339	0.4
89.27042	0.4
91.05367	0.5
93.03262	0.4
95.04865	0.5
101.93289	0.4
120.25837	0.4
121.02803	1.7
131.04907	0.7
137.05972	2.2
139.03867	3.2
147.04359	0.7
149.02312	100.0
149.03334	4.3
150.02606	1.8
167.69363	0.4
175.03873	0.8
177.05402	0.9
180.04066	0.4
193.04922	80.5
194.05269	1.6
219.06480	2.2
225.05466	1.7
228.11732	0.4
229.80508	0.4
233.13635	0.5
237.07533	15.9
244.88933	0.4
269.04361	1.9
281.10065	1.7
297.03879	3.5
313.06995	4.4
341.06473	13.7
359.07581	6.1
374.54474	0.5
385.09100	23.5
386.09305	2.2
403.10022	2.9
428.33240	2.4
429.11710	43.6
429.27216	0.9
430.12030	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	429.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	1.2
56.18160	0.8
56.99374	0.8
61.52990	0.9
70.06495	6.7
72.08061	10.7
72.87363	1.1
79.27032	1.0
81.03337	1.5
81.06990	2.2
84.08066	4.7
86.09625	1.9
93.06921	1.5
95.08540	2.4
98.97493	1.1
106.02858	2.2
119.04924	1.0
120.08056	1.1
124.03924	4.3
129.10187	1.6
136.07532	1.2
143.03136	1.5
203.05186	8.9
203.26265	1.0
208.39862	1.1
243.10689	1.8
258.25351	1.0
267.12045	22.7
309.12570	1.1
374.14966	1.0
375.26297	1.0
393.27347	1.3
429.17242	100.0
429.24176	15.6
430.17422	1.5
437.99701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05434	0.9
57.07015	1.3
63.40855	0.5
64.33118	0.6
67.05415	0.5
69.06979	1.2
78.55453	0.5
79.05399	1.0
80.09876	0.6
81.06963	1.2
86.09607	0.6
91.05397	5.0
93.06979	2.2
94.13163	0.5
103.05376	0.7
105.06979	6.0
107.08546	2.3
109.10093	0.8
117.06944	2.2
119.08530	22.8
121.06429	3.7
121.10087	1.2
122.07208	1.0
123.11571	0.6
129.06985	0.6
131.08514	2.1
133.06421	0.8
133.10106	12.1
134.10847	1.1
135.08038	5.3
135.11632	0.7
136.05173	2.6
136.08820	1.0
137.05928	3.3
137.09590	24.6
144.09344	0.5
147.09114	0.6
147.11765	0.6
149.09572	5.7
149.13196	7.4
151.11183	4.0
161.09572	14.4
164.11978	0.6
165.09050	4.9
169.37019	0.6
177.12703	100.0
178.13065	2.4
179.10629	7.1
180.11359	1.0
192.11241	0.6
195.03963	0.5
234.17841	0.6
239.10611	1.1
240.92429	0.6
281.15323	1.3
300.17194	0.7
429.31903	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	429.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	21.8
57.07012	7.5
64.33743	3.5
67.05415	22.0
69.06993	40.5
71.08540	5.4
72.08079	4.2
79.05399	21.1
81.06976	100.0
83.08542	4.2
85.80767	3.6
91.05386	18.5
93.06987	28.9
95.08527	64.8
97.06439	16.2
102.44649	3.5
105.03697	3.7
105.06979	26.7
107.08540	25.3
109.06457	8.5
109.10123	34.8
116.91462	3.7
117.14657	3.3
119.08546	36.9
121.06449	5.5
121.10077	25.1
123.11659	14.6
133.10094	7.9
135.11690	8.9
144.09293	4.4
145.10149	7.1
147.11667	18.6
157.10181	5.7
159.11720	5.2
160.36134	3.5
161.13307	4.9
173.13228	5.5
173.33928	3.9
177.09081	7.6
177.16293	3.7
327.23401	4.2
411.28714	8.0
429.31271	26.8
429.37061	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	429.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16658	0.3
54.81623	0.3
63.33633	0.3
69.06987	0.5
80.74879	0.2
81.06956	0.5
86.46666	0.3
91.05328	0.3
95.08530	0.6
105.06882	0.3
107.08549	0.6
123.11646	0.5
191.91650	0.3
202.23720	0.3
210.40996	0.3
282.37952	0.4
285.25806	0.3
321.12650	0.4
398.87393	0.3
429.31784	100.0
430.32104	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	429.3361
Annotation	Variecoacetal B
Peak:m/z	Relative Intensity
53.10155	1.2
54.18063	1.6
54.81345	1.5
55.05450	9.1
57.07006	12.3
67.05434	9.3
69.03335	2.0
69.06981	11.8
71.08553	9.3
74.06034	1.8
79.05417	7.7
80.25763	1.4
81.06975	19.9
83.01281	1.6
83.08540	18.2
85.10110	3.6
91.05412	9.0
93.06973	25.1
95.04921	2.5
95.08530	17.4
97.06482	1.7
97.10105	9.2
105.06984	12.2
107.08523	17.1
109.06474	7.4
109.10130	10.0
111.08020	2.5
117.06977	6.6
119.08540	8.6
121.02843	2.2
121.06447	14.2
121.10098	7.9
123.08020	2.1
125.05965	4.1
131.08534	6.7
133.10121	7.3
135.08049	7.5
135.11772	2.8
145.10118	9.6
147.08104	2.5
147.11679	3.3
149.02388	3.5
149.09596	2.2
155.08571	1.5
157.10152	2.7
159.08017	2.6
159.11574	5.1
161.09625	2.5
161.13312	2.0
163.07498	2.8
173.09555	2.9
173.13222	1.9
183.11638	2.2
187.14890	3.6
201.12787	3.4
201.16319	2.3
204.95450	2.0
215.14302	1.9
247.13367	1.9
247.16801	2.1
257.30948	1.8
261.18533	10.0
265.14621	1.8
275.16461	18.5
285.18460	2.0
303.23099	54.3
303.26205	2.3
399.28009	2.1
429.33551	100.0
430.34085	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	429.3727
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
51.90776	1.7
53.03870	1.9
55.05447	13.6
57.07017	22.0
67.05434	16.2
68.52309	1.5
69.06995	30.2
71.08554	17.8
79.05396	11.7
81.06976	43.9
83.04890	2.7
83.08524	10.8
85.10089	4.4
87.48586	2.1
91.05412	12.9
93.06960	22.5
95.08540	49.6
97.06446	4.3
97.10099	10.2
105.06963	20.5
107.04898	4.1
107.08529	17.9
109.06456	1.9
109.10114	16.1
119.08539	17.6
121.06475	3.0
121.10082	10.4
123.08023	2.5
123.11655	7.7
125.05937	2.7
131.08545	7.5
133.10100	11.9
135.08006	4.0
135.11649	7.8
137.09666	2.0
142.05771	2.3
143.08542	3.8
145.10085	10.1
147.08051	3.9
147.11652	14.1
149.09624	8.0
153.67035	1.9
157.10068	15.3
159.11639	14.9
161.09599	2.6
161.13202	2.8
163.11180	3.9
171.11627	9.3
173.13242	4.2
175.11150	18.8
177.12709	2.9
183.11626	3.2
185.13342	3.3
189.12733	3.7
197.13232	3.7
199.14767	3.5
205.90752	2.0
213.16315	2.5
253.19476	2.9
393.35190	2.9
411.36221	22.8
429.31912	8.8
429.37149	100.0
430.37561	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	429.3726
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.56290	3.9
54.57800	4.6
56.58665	4.0
57.07000	25.9
81.07002	7.9
95.08537	6.3
109.10104	6.3
120.26328	4.6
123.07936	5.7
137.09564	6.2
149.09563	10.1
163.11200	22.1
164.08267	4.4
165.09053	100.0
175.56828	4.7
191.10646	16.6
203.10626	5.9
205.12143	6.5
263.47128	6.1
429.31619	53.0
429.37244	28.8
430.37570	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	430.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01536	0.2
50.92662	0.2
51.02316	0.8
51.73144	0.2
53.03886	3.7
55.01818	0.5
55.05434	0.2
57.03377	1.5
63.84495	0.2
67.05441	0.3
67.92341	0.2
68.69713	0.2
69.03347	11.6
70.06515	2.3
71.04907	1.6
72.08072	0.3
73.02839	1.1
74.05988	0.2
78.03368	13.5
79.04147	0.3
79.05418	0.3
80.04927	2.8
81.03336	23.2
81.06981	1.2
83.04883	0.3
83.06039	0.4
84.04424	1.5
84.08073	0.5
85.02829	10.4
86.09633	1.2
91.05418	0.3
92.10880	0.5
93.07007	0.3
95.04890	0.4
95.08533	0.2
96.04420	8.7
97.02822	5.1
99.04400	2.9
99.07983	0.3
100.44574	0.2
106.02858	67.8
107.03195	0.4
109.02830	10.4
109.06499	0.3
114.09093	0.2
116.98573	0.3
117.09098	0.9
119.04911	0.3
120.08052	0.2
124.03911	100.0
125.04287	1.0
127.03870	4.8
129.10188	0.2
131.38824	0.2
147.04306	0.3
151.03900	0.8
166.04982	1.0
177.05455	0.3
196.06042	0.4
202.53455	0.3
208.06009	0.2
232.05948	1.0
250.07037	11.8
259.22665	0.2
262.21045	0.2
268.08093	27.5
269.08203	0.5
270.12845	0.2
286.08984	0.3
429.24335	0.9
430.16879	3.4
430.25381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	0.4
53.03883	1.9
55.01804	2.6
56.96518	0.3
57.03371	6.6
57.07002	0.3
59.04926	0.4
61.02858	11.3
69.03349	19.2
70.06505	4.4
71.01273	0.5
71.04910	2.2
72.08065	1.6
73.02825	4.9
81.03340	7.8
83.01267	0.6
84.04425	1.6
84.08060	2.0
85.02825	100.0
86.05970	0.6
86.09619	2.6
87.04384	2.8
91.03882	4.9
97.02821	23.1
98.06012	0.5
99.04385	3.3
101.02319	0.6
103.03874	0.5
108.26180	0.3
109.02826	8.0
110.07118	1.9
114.36527	0.3
120.08017	0.4
124.03909	1.3
127.02924	0.8
127.03872	21.1
129.10217	0.6
145.04935	27.2
147.04384	1.2
150.07726	0.6
151.07961	0.4
161.00951	0.6
163.05983	9.7
163.07416	0.4
177.05466	0.6
191.07060	1.3
251.14932	2.2
278.71030	0.3
278.91003	0.4
308.39236	0.4
325.11136	0.6
359.75702	0.4
420.54752	0.3
438.49167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62716	0.5
52.79209	0.4
53.03893	0.4
55.05459	0.7
56.93223	0.5
67.08305	0.5
69.03345	3.2
71.33568	0.6
79.05393	3.7
81.03327	0.8
81.06995	0.9
83.04897	1.3
91.05415	1.1
92.10332	0.9
95.04904	0.7
98.18241	0.5
103.05386	1.3
105.06981	13.9
107.08521	3.8
107.76058	0.6
111.04392	0.8
119.08533	1.4
123.08040	7.4
129.05461	0.8
133.06468	100.0
133.07506	7.2
134.06772	1.0
136.29543	0.6
137.05989	0.8
140.26198	0.6
151.07539	0.7
170.82848	0.6
177.05397	0.6
193.04807	0.6
252.57053	0.6
279.12289	1.2
297.13120	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	431.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14587	1.5
56.96508	1.8
59.80144	2.0
65.46539	1.8
69.03354	10.8
69.06990	11.9
70.06500	2.9
71.78143	1.6
75.05534	26.5
81.03291	3.2
84.04430	62.3
85.02843	13.3
86.09626	97.6
87.05523	21.2
92.10258	1.8
97.02784	3.1
101.07077	20.4
102.05468	14.2
104.07050	2.2
105.06889	3.5
110.31470	2.0
115.05009	15.9
120.08059	10.5
127.03869	2.7
127.04935	1.8
130.04967	100.0
132.08015	4.0
134.09589	3.4
136.06160	27.9
137.06590	3.3
143.11772	60.6
147.07635	62.0
155.11723	3.0
165.10208	2.6
170.04445	24.0
171.11250	9.7
181.09715	2.4
181.83934	1.9
183.11128	1.9
186.18741	2.2
187.07124	13.7
204.09813	14.1
206.11777	4.4
224.12837	20.0
261.11877	27.3
270.13269	20.2
285.15332	4.0
366.54462	2.1
396.18665	3.8
415.00070	2.5
431.22449	16.1
432.18579	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	431.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01709	0.4
51.72726	0.4
54.63175	0.4
54.65919	0.3
55.05440	2.4
56.25827	0.4
57.03373	7.2
57.07010	1.0
67.05424	10.5
69.06976	3.1
70.34406	0.4
70.69509	0.4
73.81404	0.4
76.55904	0.6
79.05412	3.3
81.06976	11.2
83.08540	0.8
85.10149	0.5
91.05398	2.0
93.06969	3.7
93.42883	0.4
95.08527	7.0
97.06391	0.6
104.29110	0.5
105.06972	2.4
107.08524	3.6
109.10106	2.5
112.99960	100.0
119.08496	3.2
121.10108	0.7
123.11609	0.9
131.01025	1.9
133.10117	1.0
135.07979	0.8
137.13194	0.6
139.01617	0.5
156.05748	0.5
169.02574	46.1
224.23721	0.6
245.22581	1.1
262.21725	0.6
263.23676	1.9
430.40408	8.3
431.40549	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	431.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	3.4
57.03375	7.0
57.07016	0.8
59.45199	0.3
67.05428	11.7
69.06989	2.9
72.04337	0.3
77.94544	0.3
79.05406	3.0
81.06973	10.1
83.08531	1.7
88.27284	0.4
91.05415	3.3
93.06970	3.3
95.04897	0.5
95.08527	7.8
98.98397	0.5
105.06985	2.3
107.08539	2.1
107.21795	0.4
109.10092	2.7
112.99965	100.0
113.31626	0.4
119.08518	3.0
121.10098	1.6
123.11680	0.6
123.13382	0.4
131.01038	1.8
133.10110	1.6
135.08076	0.6
139.01454	0.5
147.11624	0.4
149.13220	0.5
151.01501	0.4
169.02576	47.3
224.23567	0.5
235.54878	0.4
243.99858	0.5
245.22638	0.6
251.04218	0.4
262.21512	0.6
263.23654	2.3
313.09125	0.4
313.13229	0.6
330.99625	0.4
349.63736	0.4
430.40335	7.8
431.40683	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	431.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35114	3.7
51.95311	3.3
52.41829	3.4
53.23921	4.0
55.05452	32.0
57.07016	38.7
64.90163	4.7
69.06991	66.6
69.73781	4.3
71.08533	20.0
80.24807	4.0
81.06966	5.6
83.08523	18.0
91.05383	5.7
93.06967	7.8
96.98486	5.5
97.10113	16.4
105.07019	4.6
108.39217	3.9
111.11633	6.4
119.08549	20.7
139.07526	7.1
149.05910	5.1
165.20287	4.7
167.06990	100.0
177.09166	4.9
313.39185	4.7
313.71310	4.2
431.35098	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.352
Annotation	Cerevisterol
Peak:m/z	Relative Intensity
51.73070	5.4
52.01236	4.6
55.05449	24.3
57.07005	28.4
65.14379	4.7
67.05425	12.7
69.03349	6.1
69.06992	28.3
71.08554	13.3
72.57927	4.6
79.05427	24.8
81.06990	61.8
83.08539	13.7
91.05412	9.3
92.11021	9.4
93.06967	27.4
95.08541	41.8
97.10130	7.9
98.09595	8.0
100.41605	5.3
105.06993	22.9
107.08532	72.4
109.10103	25.3
119.08555	53.6
121.10106	26.8
123.11723	7.8
131.36035	6.3
133.10065	6.7
135.08025	10.9
135.11691	9.3
145.10097	12.3
147.11621	20.9
149.13266	6.5
157.10141	5.6
159.11665	11.7
173.09639	38.1
174.14742	6.1
175.11192	27.2
175.83847	6.2
191.10706	22.9
204.86160	6.0
265.49579	6.0
287.19971	12.8
289.70578	5.9
293.94775	5.6
395.32996	6.4
396.78119	5.4
413.34088	100.0
431.34988	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	431.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07006	2.5
81.06968	2.9
100.94415	2.6
119.08549	9.3
120.08060	100.0
135.08026	3.7
233.40768	2.8
378.60144	2.5
399.34955	2.7
431.35916	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	432.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01813	1.9
57.03363	2.5
57.03618	0.4
61.02858	0.6
62.38063	0.4
65.39645	0.4
68.43816	0.5
69.03343	6.5
69.83713	0.4
72.04435	0.6
72.08073	2.0
73.02819	1.0
81.03349	0.6
84.04424	0.6
85.02829	15.2
90.05479	100.0
92.74586	0.5
97.02824	8.1
97.85183	0.5
99.04372	1.1
101.02317	2.0
109.02815	1.2
115.43490	0.5
118.08589	3.1
127.03883	12.3
135.70406	0.5
135.76697	0.5
145.04948	5.8
163.05978	1.1
181.52744	0.5
204.58664	0.5
245.04745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	1.5
55.01806	1.9
55.05451	2.8
57.03371	5.7
58.06507	0.5
59.04937	0.5
61.02850	9.1
69.03349	17.6
70.06504	0.7
71.04906	2.3
72.08069	0.5
73.02830	3.0
73.06467	18.3
76.03901	0.6
81.03341	6.7
84.04436	5.0
84.08063	0.4
85.02827	100.0
86.03152	0.6
87.04391	2.2
90.05444	1.1
91.03870	4.2
97.02823	24.1
98.03210	0.4
99.04374	4.3
101.02324	0.4
103.03855	0.4
109.02824	9.4
110.07095	0.5
115.03894	1.4
118.08601	10.5
119.08939	3.2
123.04376	0.6
127.03872	20.7
128.04286	0.5
130.04938	1.5
136.06174	1.5
136.07602	0.8
137.04552	0.4
137.06566	0.5
145.04932	23.8
162.12079	0.4
163.05991	9.0
165.05437	0.5
217.10712	0.6
253.12764	7.1
254.18538	0.4
325.11560	0.5
402.40207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81922	0.5
55.01807	0.8
55.05439	1.4
57.03364	2.4
61.02853	1.3
63.77596	0.5
65.03872	0.8
68.67365	0.6
69.03346	11.7
71.04895	0.7
73.75160	0.5
74.77797	0.5
79.05418	1.0
81.03345	0.9
83.04894	2.8
85.02825	4.8
87.04403	0.7
91.03910	0.6
91.05402	9.4
94.05602	0.7
98.45973	0.6
99.04395	0.8
105.06956	2.5
107.08537	42.4
109.06478	2.3
111.04398	3.0
117.06979	1.3
119.08530	100.0
120.08862	1.0
129.05394	2.2
133.06453	3.6
135.08014	28.7
147.06526	2.0
229.47537	0.6
255.17810	0.6
281.13782	1.3
415.21225	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92285	0.2
52.93433	0.2
53.01258	0.2
53.03874	0.3
54.19479	0.2
55.01809	1.2
55.05452	1.7
57.03367	2.6
59.81805	0.2
61.02854	2.2
65.03860	0.4
67.05418	0.3
69.03351	11.9
71.04902	1.2
73.02837	0.8
74.23270	0.2
75.04364	0.2
79.05401	1.4
79.41982	0.2
80.62369	0.2
81.03338	1.9
83.04905	4.2
85.02824	4.4
87.04372	1.4
91.03859	0.5
91.05408	8.8
92.10921	0.3
92.63409	0.2
93.06979	0.3
95.04918	0.2
99.04391	1.4
100.98127	0.2
103.03888	0.2
103.05432	0.5
104.06174	0.3
105.06975	3.4
107.08540	40.7
108.08869	0.4
109.06471	2.1
111.04383	2.7
115.05386	0.2
117.06952	1.2
119.08537	100.0
120.08845	1.5
123.08036	0.4
125.45313	0.2
129.05452	2.4
133.06470	4.4
134.06815	1.0
135.08023	27.7
136.08273	0.2
145.10062	0.4
147.06502	1.5
154.07899	0.2
168.21742	0.2
175.30219	0.2
281.13800	1.5
415.21201	1.9
432.36713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	6-C-beta-D-Galactosylapigenin
Peak:m/z	Relative Intensity
55.01823	1.4
55.05447	2.1
56.73765	0.9
58.96763	0.8
67.05424	1.5
68.99705	1.4
69.03333	2.3
69.06993	1.3
70.06495	7.8
72.08051	2.2
79.01768	6.9
81.03327	5.7
81.06993	1.5
83.08542	1.5
84.08060	1.2
85.02833	5.7
86.09612	5.4
91.05391	4.3
93.06988	1.3
95.04901	1.1
95.08501	1.4
97.02831	1.9
97.06465	0.9
99.29639	1.2
100.11167	9.5
106.02837	1.2
107.04938	1.1
109.02825	4.5
109.06446	0.9
111.04379	1.1
117.03379	1.1
119.04871	7.1
120.08049	2.0
121.02826	26.8
124.03855	0.9
127.03881	1.6
131.79324	0.9
136.07535	1.1
145.02840	4.6
145.10097	1.0
147.04431	2.0
149.13252	1.0
153.01833	1.3
159.09290	0.9
163.03899	2.0
167.06940	1.4
168.17421	1.1
177.05434	4.6
179.90170	1.1
181.04893	1.6
182.15408	1.2
183.02852	3.9
185.15286	0.9
205.05002	1.6
211.07574	1.0
213.05446	5.9
217.04906	6.0
219.02682	1.3
227.06966	1.9
228.07739	1.1
237.02739	1.1
243.06471	4.2
255.06564	9.3
256.07217	12.8
259.06091	1.6
261.03857	5.3
268.07156	1.3
271.05988	14.3
283.05960	100.0
284.06693	55.1
285.07373	4.2
295.06006	12.6
297.07535	37.2
298.07776	2.0
308.06754	6.0
309.07468	13.0
311.05444	2.2
313.06989	91.5
314.07370	2.2
323.05643	1.4
323.09073	27.9
325.06992	8.4
327.08624	2.3
335.05923	1.2
337.06998	38.5
343.08099	8.1
351.08395	7.2
367.08023	10.0
379.07983	8.1
397.09082	16.9
415.10147	25.1
416.10226	1.2
432.86044	1.6
433.11172	77.8
434.11658	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	433.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72902	0.4
53.03889	0.7
54.81991	0.4
55.01820	0.6
57.03371	0.7
61.02855	0.6
63.78763	0.4
65.03885	0.8
67.05432	0.7
68.99719	1.7
69.03050	0.3
69.03346	3.3
70.06526	0.8
71.04897	0.4
71.88660	0.4
72.08082	0.7
73.02836	0.5
75.04388	0.7
79.05422	0.4
81.03341	3.8
82.04112	0.6
85.02835	6.4
87.00748	3.5
95.01250	2.8
95.04912	0.8
97.02835	2.6
99.04388	0.9
100.57082	0.4
105.01827	1.7
109.02834	2.9
110.03605	16.5
111.04401	2.9
123.04379	1.7
124.05135	0.4
125.05952	64.3
127.03865	6.7
139.03879	10.8
139.04918	0.6
140.04659	0.6
141.05525	0.5
145.04926	0.6
153.05444	100.0
154.06219	38.8
155.03394	2.0
155.07008	0.6
156.04140	0.8
159.02826	0.9
167.07014	0.7
169.04912	2.3
170.05721	8.4
178.06204	1.6
181.08560	0.4
184.07248	0.7
185.08054	90.5
186.08427	0.6
194.05743	0.5
209.08035	1.5
227.09032	0.8
236.06741	0.8
251.09077	1.0
256.61948	0.4
277.34476	0.4
293.10178	0.8
433.23871	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	433.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80713	0.6
53.19263	0.6
55.05445	1.4
57.03360	1.2
57.65607	0.8
60.05563	0.6
65.03851	1.0
66.24162	0.7
67.05440	1.4
68.99689	0.8
69.03351	5.8
70.06509	15.6
71.04906	1.2
72.08067	5.4
76.02132	1.5
79.70492	0.7
81.03324	5.0
81.06963	1.3
82.04134	1.4
84.04419	3.4
84.08076	5.8
85.02838	7.0
86.09644	5.7
87.00751	3.7
88.03903	0.9
91.05413	1.3
93.06963	1.0
95.01259	1.8
95.04894	1.9
95.06014	0.9
97.02830	8.6
98.97519	0.8
99.04391	3.2
102.97302	1.0
105.03330	6.8
106.02888	1.7
107.08498	1.1
109.02808	4.0
110.03625	18.8
110.07111	1.5
111.04398	6.2
113.10747	1.2
115.05428	1.7
119.08501	0.9
123.04395	3.2
124.03890	3.6
125.05953	65.3
127.03876	7.6
129.10248	3.0
130.06535	1.0
132.07988	1.7
133.06566	1.2
139.03891	13.3
141.05486	1.5
141.10202	1.8
147.04417	3.8
147.08020	0.9
153.05453	100.0
154.06232	38.6
155.03355	7.5
155.06898	1.1
159.09193	7.4
161.05933	1.9
169.04906	2.0
170.05727	27.9
171.54015	0.9
175.07513	3.6
184.07318	0.9
185.08067	97.3
191.06935	0.9
197.08023	0.9
207.10135	1.6
216.51872	0.8
235.09596	7.0
236.09930	1.9
253.10660	1.6
257.63345	0.8
303.09805	1.3
415.31378	1.2
433.17319	1.8
433.23633	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02356	0.7
53.03883	1.5
55.01811	1.0
55.05439	1.5
65.03868	8.7
67.05431	5.5
69.03340	3.5
69.06988	0.8
70.06506	8.3
71.04938	1.0
72.08072	11.8
79.05406	8.5
81.03346	3.2
81.06987	3.1
82.04121	4.0
82.24258	0.7
84.04432	4.5
84.08048	1.7
85.02828	9.0
86.09604	1.2
88.98202	0.7
91.05412	1.7
93.03324	1.1
93.06984	0.8
95.04890	10.8
97.02826	3.6
97.06458	4.0
99.04334	0.9
103.05415	0.9
105.06981	10.1
106.02874	3.8
107.04899	15.2
108.02049	1.2
109.02808	1.5
110.03603	7.0
111.04381	3.2
115.05406	1.6
116.98512	0.8
117.48343	0.8
118.75150	0.8
119.04955	1.0
120.08043	1.2
121.10083	1.1
122.03637	0.9
123.04391	5.7
124.03905	1.6
124.05179	3.1
125.05967	7.5
127.03907	1.1
129.10193	0.9
130.06541	3.1
132.08031	1.1
133.06439	10.1
138.03075	2.7
139.03926	0.9
140.04614	0.9
142.02600	3.1
145.06441	1.0
146.06003	1.4
149.06006	1.0
149.13257	0.8
152.04694	1.1
153.05438	5.6
154.06248	1.1
155.07040	1.0
159.09175	1.2
161.05936	13.0
167.06987	14.3
171.06479	12.1
173.06064	0.8
178.06271	1.1
181.04922	100.0
182.05302	1.6
183.06439	1.0
185.08075	4.7
188.07034	4.3
189.05380	1.0
193.08569	14.7
201.12273	1.4
206.05740	1.0
221.08046	24.4
249.07486	7.6
372.11810	0.8
403.13766	41.9
404.14407	1.0
432.22488	1.4
433.15137	0.8
433.23431	9.7
433.27643	15.1
433.32938	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	433.2339
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
54.62894	2.9
55.05443	13.0
55.42520	2.7
55.99059	2.6
57.03384	4.0
57.06987	2.9
59.28343	3.0
63.77682	2.6
63.82701	2.9
63.88721	2.9
67.05429	31.7
69.03345	14.2
69.06987	5.7
72.08632	2.6
79.05406	23.2
81.06979	30.5
83.04904	3.7
83.08518	3.9
83.61565	3.5
87.83809	2.9
91.05404	21.3
92.64618	3.9
93.06945	24.8
95.08525	29.9
98.98408	76.4
99.04379	3.8
105.06978	13.0
107.08551	59.6
108.08889	14.4
109.07583	18.5
109.10128	7.2
117.07021	4.6
119.08532	100.0
120.08879	26.6
120.99599	3.2
121.10094	7.4
133.10104	3.8
135.08025	21.5
135.11620	6.0
136.08403	14.4
145.10115	3.4
149.13228	5.3
155.01012	13.5
164.22491	3.6
207.41011	3.3
261.22131	17.1
333.13651	3.7
333.17514	3.9
335.25732	14.4
351.18387	4.0
432.31973	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	434.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10337	0.4
53.03879	2.0
53.57031	0.3
55.01807	1.1
56.82135	0.4
57.03376	4.8
61.02854	7.6
62.70325	0.3
63.91970	0.4
64.77042	0.4
65.03851	0.9
69.02996	0.8
69.03345	13.5
70.06490	0.7
71.04902	1.0
71.74054	0.5
72.08069	1.1
73.02814	3.1
76.02132	1.9
81.03338	8.7
84.04417	0.7
85.02825	47.2
87.04391	0.8
91.03861	2.0
92.04916	4.0
97.02822	15.1
99.04385	2.3
103.03841	0.6
106.06527	4.2
109.02831	4.0
109.05225	2.0
110.05989	100.0
111.04380	0.6
111.06372	0.6
116.01627	0.6
116.07088	1.0
120.04422	1.1
120.08030	4.1
121.08393	0.5
121.11430	0.5
122.05978	4.9
127.03869	9.1
127.04979	3.0
134.05981	10.3
145.04913	7.1
146.06021	1.1
148.07567	0.7
152.07060	4.6
162.05473	0.6
164.07034	0.5
166.08655	0.6
176.07069	3.0
179.04752	0.8
188.07047	0.6
218.08179	0.5
234.06525	0.7
236.09120	3.3
254.10246	3.7
260.43393	0.5
272.11197	11.0
434.16504	3.8
452.86365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.4
53.39406	0.5
55.01805	2.5
56.96502	0.9
57.03371	4.9
61.02851	7.5
61.79962	0.5
64.98548	0.5
65.03868	0.9
68.96757	0.6
69.03000	1.0
69.03347	15.2
70.06505	2.6
71.04910	1.6
72.08067	2.8
73.02832	3.2
76.02140	1.4
79.05406	0.9
81.03329	7.8
83.01245	0.8
84.04431	1.2
85.02827	54.2
87.04362	0.8
87.82174	0.6
90.95252	0.6
91.03892	2.3
92.04927	3.9
95.04914	0.7
97.02823	17.7
98.03135	0.6
99.04371	3.2
103.03912	0.8
106.06498	5.8
109.02831	5.6
109.05215	1.1
110.05992	100.0
111.04427	1.2
115.03844	0.9
116.07010	4.8
117.05431	0.6
120.04397	0.9
120.08056	15.1
121.08399	3.3
122.05988	4.8
122.58121	0.6
127.03882	9.5
127.05009	3.0
134.05980	10.8
145.04929	6.5
146.05978	1.3
149.06499	0.6
152.07022	4.9
162.02235	0.7
166.08609	3.1
176.07008	2.8
189.00627	0.7
213.26842	0.7
218.08257	0.7
234.06496	1.2
236.09088	3.2
237.02838	0.8
254.10222	6.8
260.09836	0.8
272.11261	11.0
322.91748	0.7
350.11459	0.7
410.02176	0.7
416.15686	0.7
434.16727	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	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	2.2
54.16652	0.8
55.01805	1.3
55.05447	7.4
56.96514	1.2
57.03371	4.2
59.04927	2.5
60.05592	1.1
60.53035	0.9
61.02841	4.8
61.69694	0.9
62.05992	1.1
67.05424	5.2
69.03352	19.5
70.06509	14.2
71.04927	1.4
72.08063	4.5
73.02843	1.1
74.06004	1.8
79.05412	29.1
81.03355	8.0
81.06982	20.6
83.04900	53.3
84.04435	8.1
84.08067	6.0
85.02829	42.9
85.06449	6.0
86.09628	2.4
88.38172	1.4
91.03870	1.9
91.05393	14.4
92.10852	2.3
93.06964	8.1
95.04901	6.0
95.08540	4.7
97.02822	11.2
97.06480	11.1
98.12862	1.2
99.04388	1.4
102.05419	1.2
103.29347	1.2
105.06967	15.6
107.04896	31.2
107.08525	8.8
109.02850	4.9
109.06438	11.1
110.07113	4.5
111.08047	2.0
113.06114	1.1
115.05476	1.2
116.06229	1.2
117.06954	4.4
119.04927	1.5
119.08572	8.0
120.08064	1.6
121.06458	14.2
121.10059	8.8
123.08046	12.3
123.11679	1.6
124.03894	1.4
125.05964	10.7
126.53091	1.1
127.03876	6.5
129.06934	1.6
129.10165	1.9
130.07840	1.3
131.04871	2.1
131.08530	11.7
133.06444	10.7
135.04385	28.8
135.08006	9.4
135.11658	4.2
137.05969	1.6
138.33827	1.1
145.04945	4.3
145.06445	1.3
145.10124	15.6
147.08060	2.8
147.11649	2.3
149.05978	7.1
149.09596	27.3
151.03889	4.5
151.07533	4.6
153.05446	17.8
155.08531	1.2
158.07259	1.8
159.08025	12.3
161.05936	10.5
163.03917	5.1
163.07556	2.7
163.11150	7.9
165.09081	2.7
167.07022	14.1
173.09543	10.0
175.07443	2.6
175.11168	5.3
176.02338	1.6
177.09079	28.4
179.06958	13.8
181.04906	2.5
191.10637	45.4
191.12341	2.0
193.08572	100.0
195.10159	2.5
201.09071	9.7
209.11755	6.2
219.10124	48.5
220.10564	1.2
237.11169	88.9
238.11426	1.5
281.47351	1.3
430.90414	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85244	0.9
53.03879	1.9
55.01805	2.1
55.05437	5.7
57.03360	5.2
57.07008	1.2
59.04923	2.4
61.02847	4.0
62.48683	0.9
67.05422	4.5
68.07396	0.9
69.03347	14.5
70.06503	1.8
71.04868	1.0
73.02845	1.5
79.05408	31.6
81.03321	5.4
81.06964	22.1
83.04898	60.2
85.02823	45.0
85.06449	2.2
91.05405	8.6
93.06945	8.5
95.04898	6.0
95.08550	1.5
97.02799	9.3
97.06468	12.3
99.04414	1.4
101.09792	1.0
105.06969	14.5
107.04900	25.5
107.08512	10.0
109.02826	2.4
109.06468	14.9
115.05403	1.9
117.06918	2.2
119.04884	4.0
119.08524	5.9
120.08039	1.2
121.02718	1.4
121.06469	12.9
121.10097	10.2
123.07965	7.8
123.11666	1.3
124.03855	1.2
125.05924	10.8
127.03865	6.6
129.06989	1.2
131.08528	11.1
133.06473	11.6
135.04375	28.4
135.08032	15.3
135.08971	1.7
144.05705	1.7
145.04883	2.1
145.10155	8.8
147.04338	8.2
147.08000	2.4
148.04768	1.2
148.08754	1.0
149.05937	4.4
149.09593	28.1
150.09898	1.0
151.03951	4.1
153.05446	22.9
157.03392	1.5
157.10126	1.2
159.08026	10.1
161.05902	11.1
163.03873	4.3
163.07513	2.5
163.11169	5.3
167.07008	18.2
173.09573	7.5
175.07515	1.5
175.11145	7.1
177.05428	2.2
177.09068	36.0
178.06261	1.2
179.06972	24.6
181.04932	1.7
183.07997	1.3
187.07513	2.0
191.10626	40.9
193.08565	60.4
195.10097	2.6
201.09070	4.5
209.11736	8.5
219.10118	47.4
237.11159	100.0
238.11511	2.5
287.09738	2.3
348.91745	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66186	1.1
52.54560	1.0
53.03893	1.4
55.05452	19.0
57.03376	10.5
57.07012	7.3
58.46154	1.0
65.03863	2.3
67.05431	72.9
69.06992	12.1
71.08543	2.3
74.09639	3.2
79.05407	23.0
80.29044	1.2
81.06978	82.1
83.04908	2.0
83.08540	9.3
85.06472	1.5
86.09627	1.8
89.05952	2.0
91.05406	17.1
93.06980	20.5
95.04931	1.3
95.08532	60.1
97.06464	2.1
97.10102	2.8
98.98402	100.0
104.46215	1.3
105.06972	11.4
107.08559	9.1
109.10113	22.7
111.08041	2.3
113.00002	1.6
116.99468	5.7
119.08549	9.6
121.10115	11.2
123.11656	8.7
124.84882	1.4
125.00020	1.4
133.10126	8.0
135.11661	5.9
137.09570	1.9
137.13251	2.9
147.11653	5.8
149.13208	3.1
151.14835	1.7
155.01021	79.7
161.13229	2.1
163.14758	2.2
165.16344	2.1
167.84174	1.2
175.14665	3.5
185.08682	1.5
189.16261	2.0
207.98938	1.7
209.07977	1.3
212.72812	1.2
245.22583	16.4
263.23660	43.6
264.23828	1.5
354.98621	1.4
398.51828	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	2.8
55.05445	13.9
57.03364	10.8
57.07008	7.6
61.84147	2.0
65.98119	2.2
67.05430	69.5
69.06989	20.3
70.00723	2.2
71.04932	2.1
79.05402	23.9
81.06980	82.8
83.08533	13.9
91.05389	12.5
93.06982	24.0
95.08544	62.5
97.06474	4.5
98.97750	3.3
98.98398	100.0
105.06967	11.1
107.08537	14.7
109.10120	20.6
116.99454	3.3
119.08521	10.0
121.10091	10.6
123.11638	10.9
133.10091	3.3
135.11635	9.8
137.13307	2.3
147.11691	4.3
151.14819	3.6
154.99789	4.5
155.01024	88.8
161.13231	8.7
170.31419	2.3
175.14735	2.5
188.81192	2.0
245.22600	20.6
246.53769	3.0
263.23672	49.9
327.65271	2.1
346.61395	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	434.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	3.9
57.03358	1.5
57.07014	11.9
59.13931	0.6
60.57481	0.7
64.66496	0.7
67.05436	12.7
67.48908	0.7
69.06985	3.8
74.98856	0.6
79.05415	4.5
81.03362	0.8
81.06977	12.2
83.08528	1.2
91.05402	6.0
93.06976	5.7
95.04893	0.8
95.08543	10.6
97.06467	0.8
98.98405	16.1
105.06977	12.3
105.09801	0.8
107.04906	0.9
107.08561	5.1
109.10101	4.2
112.99954	5.9
116.99419	0.9
119.08548	19.5
121.06457	5.1
121.10104	37.6
122.10410	0.9
123.11662	1.0
128.88731	0.8
133.06479	1.3
133.09157	1.3
133.10104	22.3
142.07726	1.1
145.10098	1.1
147.08031	1.0
147.11665	30.6
149.13193	0.7
155.01038	11.8
157.10071	1.5
163.11093	1.3
169.02573	1.1
175.11137	17.2
175.14784	1.1
245.22574	1.1
263.23654	5.8
283.16888	100.0
284.17273	4.8
299.70932	0.8
339.23148	48.2
340.23492	3.8
400.60150	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1646
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
54.81181	1.6
58.17423	1.4
62.30393	1.2
63.64671	1.4
65.03869	8.4
67.05429	5.6
69.03345	3.3
79.05405	7.4
81.03343	3.4
82.04120	3.2
85.02823	6.1
91.05386	3.8
93.03285	2.0
95.04858	3.6
97.06451	3.4
107.04915	16.8
109.62631	1.5
110.03633	7.1
111.04391	6.7
114.35938	1.9
117.06943	3.4
123.04388	2.0
124.05161	2.2
125.05968	6.3
129.06984	2.1
131.08478	2.3
133.06418	1.9
142.02567	2.1
144.05690	2.9
145.06444	10.5
146.07954	1.5
153.05397	1.7
159.08034	2.0
161.05980	6.7
167.06993	31.2
171.06528	12.7
172.05225	6.1
173.05870	5.2
181.04927	100.0
181.08369	2.0
187.07516	6.3
201.05441	9.0
205.08612	1.8
206.05733	2.1
218.05550	2.5
219.10129	2.5
221.08128	2.0
233.08044	23.2
251.09193	1.9
257.30914	1.8
263.09015	6.1
334.01031	1.5
387.14352	5.8
399.14413	3.5
417.15485	12.9
435.25803	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	435.2506
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.03886	0.9
55.05453	18.3
56.15437	0.9
57.03374	12.9
57.07005	5.3
67.05076	2.2
67.05429	59.7
67.76119	1.0
69.06987	23.3
71.08552	1.7
72.75037	0.9
79.05406	16.0
81.06973	62.5
83.04899	1.6
83.08536	12.3
91.05412	14.2
93.06959	15.9
95.04895	1.7
95.08531	46.0
96.13723	1.1
97.06464	4.4
97.10107	5.7
97.61293	1.1
98.98399	100.0
105.06987	7.8
107.08530	9.3
109.10098	22.1
111.08002	2.3
116.99462	2.0
119.08538	5.2
121.10086	8.7
123.08022	1.1
123.11668	6.4
132.25980	1.0
133.10091	5.8
135.11681	2.0
137.13252	2.1
147.11678	4.0
149.13223	1.9
155.01013	42.9
161.13202	2.4
163.14726	1.1
165.16347	2.1
169.49989	1.1
173.02106	5.4
175.14828	1.9
197.02135	1.5
200.46913	1.1
211.33952	1.2
245.22583	10.1
263.23654	27.2
337.27319	29.8
338.27795	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	435.2502
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.03898	1.1
55.05452	21.3
57.03370	11.3
57.07003	5.4
67.05425	61.8
67.76157	1.0
69.06982	20.0
71.08555	1.3
75.04391	1.6
76.56683	1.0
77.17303	0.8
79.05412	16.8
81.06971	57.3
83.04903	1.3
83.08537	11.2
84.28378	0.9
86.97314	1.0
91.05400	15.3
93.06976	17.5
95.04874	2.2
95.08531	55.3
95.09152	2.2
97.06467	4.0
97.10075	4.1
98.98397	100.0
99.08015	1.3
105.04448	1.2
105.06966	8.9
107.08534	11.2
109.10107	20.0
111.08015	1.1
113.09539	1.0
116.99467	4.8
119.08527	4.5
121.10086	9.7
123.11662	6.0
131.08389	1.0
133.10106	6.7
135.11691	2.0
137.13199	3.5
144.74236	0.9
147.11664	4.8
149.13200	3.7
151.14789	1.3
155.01021	42.1
161.13258	5.8
163.14806	1.8
173.02061	2.1
175.14778	1.7
209.78040	1.1
242.10268	1.0
245.22636	7.2
263.23636	25.4
337.27289	35.1
434.37854	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05456	13.0
56.97364	0.7
57.05727	1.1
57.06995	0.8
65.74383	0.7
69.06961	1.0
72.08068	100.0
73.08400	0.8
78.97626	0.9
81.06963	1.2
95.08546	1.3
103.80840	0.8
109.04160	1.0
128.84763	0.9
165.12663	4.8
210.87750	0.9
291.23145	4.3
302.38846	0.9
353.20468	9.3
362.30460	15.2
390.30084	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	436.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.1
53.25973	0.1
55.01797	0.3
56.96487	0.1
57.03355	0.7
64.33549	0.1
65.03859	0.5
66.95392	0.1
67.05421	0.6
67.48383	0.1
69.03342	0.3
69.16768	0.1
70.06500	0.3
71.01276	0.2
73.02831	0.7
81.03321	0.1
84.04423	0.1
85.02827	3.7
95.01259	2.7
95.04900	0.3
97.02803	0.1
99.00748	0.2
101.02296	0.1
106.02868	0.3
108.02033	0.8
108.08048	0.2
109.02821	0.3
111.04394	0.7
112.01533	0.2
113.01659	0.1
113.02293	1.0
117.57456	0.1
121.20626	0.1
124.03875	0.3
128.11243	0.1
131.03371	0.8
134.05949	0.2
135.25484	0.1
141.01804	3.2
141.05426	2.2
151.03886	100.0
151.04887	4.5
152.04230	1.6
159.02867	0.3
162.60539	0.1
169.04947	0.2
173.72034	0.1
176.36739	0.1
209.15752	0.1
225.07542	0.7
243.08612	6.2
299.44324	0.1
327.07031	0.9
350.04413	0.1
387.99283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	0.8
55.01815	0.6
55.05449	2.5
57.03376	12.3
59.04969	0.5
61.02856	1.1
68.99709	0.6
69.03346	4.2
70.06516	1.0
71.01293	0.6
71.04910	84.1
72.08038	0.8
73.02831	3.4
75.04399	4.9
81.03328	1.0
83.04915	7.5
84.04410	0.9
85.02827	100.0
87.04375	1.4
97.02825	5.8
99.04416	1.2
106.44750	0.6
109.02834	1.1
111.04394	6.5
127.03889	4.1
129.05440	23.2
129.59377	0.7
130.42607	0.6
131.41687	0.6
136.06125	1.3
136.07591	0.8
139.03896	5.4
140.04234	0.8
141.85628	0.5
145.03410	1.6
145.04932	0.8
147.06493	10.5
151.03989	0.6
155.01862	0.8
164.09177	4.9
171.06462	2.5
171.14159	0.7
173.02948	0.9
221.05017	1.3
245.04982	3.4
263.06024	1.1
340.71848	0.7
354.91452	0.7
407.45010	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91161	1.6
55.01794	2.3
55.05448	4.7
56.04967	2.3
57.03377	4.2
57.07003	10.8
62.83272	2.2
69.03340	9.9
69.06982	8.8
70.06514	28.0
72.08062	9.3
73.02817	2.3
74.05991	3.8
79.05390	4.7
80.60636	2.0
81.06956	3.7
83.04882	3.3
84.04433	15.7
84.08067	13.6
85.02827	16.0
86.09617	10.0
91.05410	22.8
93.06975	16.1
97.02808	3.8
105.06976	50.1
107.04924	3.5
107.08541	34.7
109.06414	3.7
109.10052	2.4
110.07103	5.4
115.05381	2.8
117.06948	21.8
119.04934	8.7
119.08536	34.9
120.08075	4.5
123.04386	2.8
127.03902	2.4
129.10222	3.7
131.08527	12.9
133.06439	17.3
133.10092	100.0
135.08012	4.4
137.05991	19.8
145.06454	20.5
147.11699	3.9
151.03908	5.0
155.56801	2.4
157.10072	3.0
159.11604	2.5
161.09578	79.6
163.07491	5.2
165.05461	4.3
165.09073	4.4
175.11134	34.8
177.09065	56.0
179.10553	4.9
188.07077	2.4
189.07207	3.1
193.12216	13.6
203.10626	9.9
221.11696	67.2
238.18831	2.3
239.12769	34.3
257.13770	3.3
287.09668	3.6
288.09906	10.9
289.09671	2.8
330.11017	9.1
422.18103	2.4
435.18298	4.2
436.18692	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1933
Annotation	Deisovalerylblastmycin
Peak:m/z	Relative Intensity
76.40135	0.7
81.06994	1.1
109.10098	1.3
123.06346	0.9
137.05858	0.8
145.10031	0.8
153.79691	0.9
437.19257	100.0
438.19644	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	437.2665
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
51.96807	1.2
55.05455	35.0
57.03372	14.0
57.07015	13.0
59.13179	1.3
67.05426	25.1
69.06647	2.3
69.06989	39.3
71.08553	3.3
73.65749	1.5
79.05413	11.7
81.06976	30.5
83.08547	22.3
84.05817	1.3
85.10091	1.9
86.52870	1.2
91.05421	1.8
93.06992	14.4
95.08536	24.8
97.06447	2.6
97.10112	11.7
98.98399	100.0
102.48484	1.4
105.06979	1.6
105.97217	1.2
107.08533	10.0
109.10145	11.8
111.08023	2.4
111.11642	2.1
116.99454	3.1
120.92884	1.3
121.10121	17.4
123.11620	2.2
133.10048	1.8
135.11693	9.9
155.01019	46.9
165.16376	1.6
173.02098	2.2
188.13249	1.4
204.77231	1.6
247.24156	3.4
265.25296	18.6
283.16705	1.6
339.28934	27.4
359.32751	1.6
373.07916	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	437.2662
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
53.00241	2.1
55.05453	28.1
56.96485	9.3
57.03373	14.7
57.07006	13.5
67.05432	23.7
69.06986	35.2
70.47809	1.8
70.94557	1.4
71.08537	2.5
76.20360	1.7
79.05408	13.5
81.06986	24.6
83.08542	25.8
85.10057	2.3
93.06971	13.1
95.08533	30.7
97.10121	14.3
98.98397	100.0
107.08514	9.7
109.10104	9.0
111.11680	2.1
114.40968	1.9
116.99409	8.3
121.10091	8.2
123.11620	2.3
125.09566	2.7
135.11629	9.1
135.72208	2.0
149.04895	6.2
149.13191	2.5
155.01004	43.6
165.04272	2.4
167.05931	2.2
173.01958	2.4
175.98274	2.0
184.35081	1.7
197.01175	2.6
215.02217	3.5
231.30739	2.0
247.23973	3.9
253.07399	10.7
265.25177	15.1
271.08475	13.6
297.06387	11.9
310.33829	2.1
339.28815	31.4
379.46680	2.2
395.13705	4.3
437.19400	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	438.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00260	1.2
54.82028	1.1
55.05447	0.9
57.07013	75.9
57.72218	1.0
67.15333	0.9
69.06979	5.6
71.08546	51.3
73.06487	1.4
81.06981	1.9
83.08509	1.5
85.10108	25.7
87.04388	2.0
89.05952	100.0
95.08554	4.3
99.11700	1.4
107.07026	4.8
133.08569	35.0
147.04820	1.3
151.09648	2.5
177.11238	6.8
195.12279	1.4
221.13832	1.2
239.14825	46.3
421.35187	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	439.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33867	2.7
55.05445	3.6
56.96242	2.3
56.96507	46.3
69.03335	3.4
70.06516	25.9
72.08072	9.0
76.56390	2.2
80.79433	1.9
81.06963	3.4
84.04430	3.4
84.08059	11.9
85.02824	5.3
86.09650	8.5
91.05397	2.2
94.05294	1.9
95.04875	2.2
95.08524	3.5
98.97521	93.6
99.04419	2.5
105.06982	2.5
105.24116	2.2
109.10037	2.3
110.07109	11.4
116.98588	97.9
120.08012	4.0
121.06536	2.4
124.03940	2.7
126.46220	2.4
129.10179	4.3
133.02817	4.7
134.99623	74.3
151.03838	3.0
153.00648	9.2
158.01196	2.8
158.99599	16.8
177.00703	44.1
200.02275	3.7
219.01584	3.6
233.04791	2.8
235.06311	3.6
239.38098	3.0
249.08023	3.6
251.05818	3.1
253.07449	15.7
260.75754	2.6
277.07327	3.8
295.08429	23.7
313.09546	100.0
314.09903	2.7
319.08261	2.8
331.10657	9.5
336.11047	3.4
337.09570	41.1
355.10699	31.7
379.10495	14.9
439.13934	3.5
439.20126	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	439.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05456	2.3
56.39784	2.3
56.96506	2.4
57.03362	2.7
60.28532	2.4
69.03349	4.5
70.06505	38.4
72.08062	13.7
79.05406	2.4
81.03328	4.1
83.90789	2.6
84.04428	14.5
84.08061	14.5
85.02850	14.7
86.09619	5.9
88.91013	2.6
89.24155	3.5
91.05399	6.3
91.57587	2.6
95.04877	3.1
95.08531	3.2
98.97527	4.5
101.00796	4.7
106.02856	6.9
109.10104	4.1
110.07098	11.1
111.77156	2.7
119.01874	40.9
120.08074	4.1
124.03906	15.4
131.08488	2.7
137.02957	13.4
143.01863	40.2
147.04411	6.0
154.08623	3.6
161.02916	60.5
186.00148	2.7
189.07875	3.1
203.05351	25.9
225.86148	3.3
228.93341	3.5
233.10193	2.8
319.10226	13.3
337.11295	3.9
343.10229	4.2
361.11154	5.5
421.14578	100.0
422.14139	4.2
438.97141	2.9
439.15677	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96499	2.5
60.60492	1.8
69.03342	9.6
70.06507	28.3
72.08073	5.1
81.03361	2.3
84.04436	9.1
84.08067	14.1
85.02828	11.3
91.05444	2.8
97.02834	5.2
100.07536	3.9
102.05463	2.8
106.02867	11.2
109.02873	2.2
110.07127	14.2
119.01873	18.0
120.61549	2.5
124.03921	14.4
129.10225	3.5
132.08133	2.7
136.07602	2.7
137.02919	3.3
143.01883	16.9
153.05396	2.7
161.02895	32.5
185.04124	3.4
188.07039	3.8
202.05916	3.5
204.07913	2.5
237.02768	3.0
319.10181	5.9
337.11615	2.8
343.09607	3.0
361.10760	2.7
393.62241	3.3
421.14633	44.5
422.66129	2.7
439.15576	100.0
439.21463	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	439.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01798	11.5
55.05445	19.1
56.96506	2.1
57.03365	3.9
57.07011	35.4
57.07291	2.9
67.05423	27.7
67.91251	1.9
69.03338	2.4
69.06988	22.0
69.36408	2.0
75.88530	1.9
79.05399	17.6
81.06976	47.0
83.08543	8.0
85.06463	11.2
91.05423	15.2
93.06980	29.0
95.04890	3.4
95.08536	28.2
97.06448	4.9
105.07000	15.4
107.08522	27.9
109.06453	26.7
109.10134	15.1
110.07201	2.2
111.04382	10.7
111.08027	4.2
119.08528	13.5
121.10078	11.3
123.08028	26.9
123.11656	4.9
125.05930	8.4
131.08543	4.3
133.10077	10.6
135.08023	28.0
135.11662	8.9
137.05945	54.3
137.09552	2.2
139.07422	2.8
145.10133	4.1
147.08037	2.7
147.11690	8.9
149.01186	3.0
149.09554	3.9
151.07507	10.9
151.11134	3.9
152.08278	3.0
157.10103	2.9
159.11626	3.9
161.09567	2.8
161.13264	3.1
163.11116	3.6
165.09042	4.4
165.12720	10.7
175.11099	2.4
177.12712	8.3
179.14278	2.7
180.69722	2.1
194.12880	2.2
207.13770	11.0
253.50673	2.5
263.20093	3.1
319.26202	16.9
329.24646	3.3
347.25729	100.0
348.25958	3.2
359.17090	4.7
365.26785	11.9
411.30927	8.7
421.29294	35.7
434.72739	2.6
439.20514	14.5
439.30396	71.1
440.30527	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	439.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01804	3.7
55.05445	27.0
56.96502	3.0
57.03367	7.2
57.07001	24.5
67.05427	43.5
67.82583	2.4
69.06990	42.1
71.04881	2.9
71.08527	4.9
79.05393	23.7
81.06982	56.7
83.04900	12.3
83.08543	12.7
85.06463	12.9
86.09628	3.3
91.05405	20.1
93.06973	43.0
95.04909	3.6
95.08533	43.7
97.06441	11.9
99.08024	4.4
104.10719	4.7
105.06969	18.7
107.08528	36.9
107.77470	3.2
109.06455	22.4
109.10105	14.5
111.04387	25.2
111.08026	3.7
117.06946	3.4
119.08530	19.5
121.06506	3.8
121.10103	18.1
123.07997	20.4
123.11681	5.6
125.05930	20.7
133.10072	12.5
135.08034	29.8
135.11641	17.5
137.05946	31.7
137.09596	4.6
140.98352	2.8
145.10150	15.1
147.11577	5.5
149.39638	3.0
151.07547	5.8
151.11134	4.0
159.11542	3.8
161.09569	3.7
165.09094	5.5
179.14243	12.0
179.20110	4.4
182.98830	2.9
221.19077	10.1
247.46043	2.9
295.19525	3.4
305.24686	88.9
319.26178	21.7
347.25723	100.0
348.25949	4.3
359.17270	7.5
421.29303	42.3
439.30475	18.5
440.24658	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2769
Annotation	1-Dodecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05454	0.7
56.04967	1.0
56.22330	0.4
57.03374	0.7
57.07017	6.8
58.06540	0.6
60.08097	23.3
67.05424	1.9
71.07288	8.0
71.08545	2.6
77.00565	0.4
81.06965	2.0
83.08533	0.7
84.13805	0.4
85.10104	1.5
86.09631	73.5
89.15891	0.4
95.08542	2.9
98.98396	4.6
99.53123	0.4
104.10686	100.0
105.11016	0.4
107.08466	0.4
109.10100	1.7
110.72765	0.4
112.58358	0.4
117.67488	0.4
124.99966	39.6
126.05299	0.4
134.16277	0.4
137.88600	0.4
143.00995	0.7
184.07317	91.6
257.21039	4.8
363.18329	0.6
394.71783	0.5
422.26508	7.4
440.27667	24.9
440.34293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	6.1
57.03366	5.7
57.07013	39.0
62.06017	20.9
64.41736	1.1
67.05424	10.2
69.06985	8.7
71.08542	24.5
81.06979	12.1
83.08518	5.0
85.10101	13.0
89.05927	1.5
92.10865	2.5
95.08530	17.2
97.10095	2.3
98.98407	9.5
103.07465	1.6
104.36617	1.5
105.06949	1.3
109.10101	7.5
113.20705	1.4
115.91176	1.4
123.46361	1.6
124.01572	1.8
135.11690	1.6
137.13254	1.7
140.03362	2.4
155.01051	3.2
268.26245	15.2
299.22327	3.5
299.25763	100.0
311.71158	1.7
379.22308	7.2
386.90277	1.5
422.26636	3.2
440.34940	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	441.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	1.9
57.07004	1.9
58.24391	1.3
67.05415	7.1
69.06980	8.9
70.25779	1.5
72.04394	1.4
79.05411	24.0
80.54124	1.5
81.06983	17.8
81.93581	1.4
83.08536	2.0
91.05386	6.1
93.06966	8.7
95.04887	2.5
95.08526	8.8
97.06454	3.7
97.10081	2.2
103.05399	9.8
103.53661	1.5
105.04492	1.5
105.06975	100.0
107.08520	10.5
109.06452	3.6
109.10111	7.2
119.08524	3.9
121.06512	2.0
121.10093	3.7
123.11699	3.0
133.06450	51.3
135.08018	57.5
135.11665	2.0
151.07532	15.6
153.05461	1.6
167.07040	2.8
177.50772	1.6
181.04878	13.9
189.05077	1.8
205.08530	2.2
279.17773	21.6
315.95984	1.8
441.29761	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	441.2991
Annotation	Grevirobstol B
Peak:m/z	Relative Intensity
53.00242	2.9
53.03891	2.0
54.67335	1.9
55.05453	21.2
57.07005	10.1
67.05432	26.5
69.06988	75.8
71.08561	3.4
72.09731	2.2
79.05416	19.9
81.06975	100.0
83.01283	5.4
83.08538	3.3
89.05936	2.7
91.05388	20.9
93.06975	45.0
95.04905	3.6
95.08532	44.1
105.07009	17.9
107.04921	2.2
107.08527	40.9
109.06451	2.6
109.10107	32.5
119.08543	19.7
121.06497	3.6
121.09349	2.7
121.10113	21.1
123.11683	5.5
127.48019	2.6
131.08521	5.1
133.10100	12.9
135.11642	17.5
137.13246	3.7
138.09166	2.1
143.08560	3.0
145.10101	13.0
147.11652	10.0
149.13248	12.8
151.07530	5.0
157.10074	2.9
159.11702	8.0
161.09581	5.4
167.07030	29.3
169.10074	2.9
171.08064	3.5
173.09538	5.1
175.07582	3.2
177.09152	2.4
185.09541	3.0
187.11249	2.8
189.09016	17.9
191.06995	9.2
193.08577	2.2
197.09572	4.5
198.50072	2.2
205.08592	19.2
207.10115	51.1
219.10141	3.1
231.10094	3.6
241.15463	4.7
244.10988	3.5
245.11865	9.0
247.13098	3.9
271.13150	3.8
273.14600	3.8
329.74680	2.9
355.22815	2.6
383.15594	2.4
418.90909	2.4
423.28564	19.1
441.30338	45.3
453.05652	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	1.7
54.82352	1.4
55.05462	11.7
57.07005	3.6
67.05429	17.2
69.06992	28.5
79.05432	15.5
81.06982	100.0
81.51174	1.4
83.04920	1.9
83.08536	7.2
84.45061	1.6
85.72829	1.6
89.05944	3.2
91.05383	3.8
93.06976	21.0
95.08538	46.8
105.06956	8.6
107.08544	18.3
109.06492	3.2
109.10104	25.8
111.08021	3.1
111.11704	2.9
119.08517	9.1
121.06474	2.1
121.10117	13.5
123.07973	1.5
123.11657	12.6
131.08578	2.1
133.10085	3.3
135.07983	1.8
135.11613	9.0
137.13219	7.0
139.07558	3.3
141.05428	2.5
145.10083	1.6
147.11653	1.8
149.13257	8.6
151.07468	1.8
157.10072	2.8
159.11690	2.0
161.13232	2.2
163.07431	2.4
167.07021	3.8
217.12390	1.7
291.15836	1.8
299.16339	1.6
383.19635	1.9
440.34488	1.8
441.29575	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2998
Annotation	Grevirobstol B
Peak:m/z	Relative Intensity
51.98190	0.7
53.00245	0.8
53.03886	6.6
53.52382	0.8
55.05441	4.4
57.07002	2.0
60.56063	0.6
61.87399	0.7
67.05425	17.4
69.06990	49.3
74.10650	0.8
79.05402	17.6
81.06976	100.0
83.01266	15.0
83.08555	1.3
91.05401	1.9
93.06979	12.6
95.04892	2.0
95.08540	30.6
97.06474	1.0
98.34708	0.8
105.06982	1.3
107.04901	1.0
107.08518	6.7
109.06441	1.5
109.10105	7.8
117.06965	1.1
119.08569	1.5
121.10131	7.7
123.11653	4.8
129.01787	5.5
131.08540	1.2
135.04382	10.9
135.11659	1.8
137.13303	1.0
137.33081	1.0
149.13237	3.9
153.05396	6.0
161.09557	1.1
175.11115	1.2
178.57610	0.7
181.04924	14.5
195.06506	19.0
199.05991	56.5
207.06485	1.7
209.08092	6.6
213.16115	0.8
221.08125	1.2
223.09625	9.4
235.09702	1.8
237.11188	20.4
249.11182	19.4
261.11090	1.2
263.12650	3.1
291.15897	3.2
303.16199	1.0
305.17358	8.0
317.17474	4.5
331.18912	1.2
373.23593	1.4
441.29880	40.6
442.29861	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19788	2.6
57.07035	3.2
67.05425	15.9
69.06992	25.9
79.05400	15.7
81.06982	72.1
82.07384	2.9
91.05400	5.3
91.47147	3.2
92.81269	3.1
93.06979	14.7
95.08549	25.1
103.16255	3.5
105.06971	6.6
107.08543	19.6
109.10105	8.3
119.08560	13.9
119.96948	3.4
121.10090	5.5
133.10075	4.7
135.08044	5.0
135.11678	3.5
137.09578	14.1
139.07487	6.7
149.09654	4.0
151.07475	5.1
163.07462	24.7
165.09076	100.0
165.10374	4.9
200.15765	3.0
203.10695	3.6
205.12244	14.9
291.62305	4.2
319.30429	3.3
433.48734	3.8
441.33798	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	441.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00244	1.0
53.03893	1.0
54.81489	0.9
55.05449	8.8
57.03361	1.0
57.07010	3.9
60.18592	0.9
62.95756	0.9
67.05428	17.8
69.06992	27.7
79.05412	16.6
81.06977	100.0
82.07308	1.3
83.01256	9.4
83.08548	2.3
85.02833	1.0
91.05403	6.2
93.06983	24.4
95.04903	1.2
95.08537	46.2
96.27735	1.1
97.21974	0.9
105.06969	15.5
107.08543	19.2
109.06482	2.4
109.10111	17.1
117.06988	1.0
119.08554	5.9
121.10091	16.1
123.08023	5.1
123.11662	6.8
131.08533	1.2
133.06459	8.5
133.10114	5.9
135.08044	2.0
135.11668	7.6
137.05989	1.3
137.13243	4.5
139.07533	3.8
145.10133	1.7
147.11647	2.4
149.13231	8.5
151.07513	12.8
153.09119	2.1
159.11673	1.4
161.13240	1.4
163.07536	1.4
163.14804	2.3
169.08557	39.5
171.11536	1.4
173.13286	1.2
175.14832	1.1
177.09164	3.7
179.10626	9.0
199.14616	1.2
205.12177	1.3
205.19453	1.1
207.13811	1.2
231.13737	1.2
237.14780	1.6
249.14793	1.2
258.26443	1.0
259.38364	1.2
339.31137	1.0
344.06186	1.0
439.19824	1.2
441.33456	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	4.5
57.07007	1.8
59.39293	1.0
62.85205	1.1
67.05429	13.4
69.06989	39.6
79.05408	12.5
81.06978	100.0
83.08537	3.0
91.05420	2.6
93.06974	14.5
95.04850	1.3
95.08536	33.7
105.06972	7.1
107.08537	15.5
109.10103	16.0
113.14816	1.2
119.08570	9.4
121.10108	11.0
123.07993	1.6
123.11674	5.7
129.30499	1.2
131.08705	1.3
133.10097	2.6
135.08029	13.3
135.11684	4.9
137.09596	5.5
137.13231	6.2
139.07550	3.0
145.10123	1.9
147.11674	1.9
149.09576	8.6
149.13196	5.5
151.07515	1.3
159.11696	1.6
161.13277	1.4
161.41043	1.3
163.11157	5.9
165.09081	51.1
175.14813	1.2
177.09135	1.8
179.10626	1.6
181.08609	2.1
189.12711	1.7
191.10684	2.0
203.10678	7.0
205.12218	10.5
217.12326	1.4
219.13789	4.7
231.13765	2.2
248.96112	1.4
276.84332	1.6
287.20139	2.0
295.17047	1.3
295.88333	1.3
359.85422	1.4
371.90347	1.3
423.32886	1.4
424.34344	1.4
439.02170	1.7
441.32153	12.2
441.37534	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	441.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	1.3
53.03896	1.1
55.05441	5.2
56.48556	1.0
57.07023	1.9
67.05424	12.2
69.06985	36.6
71.08524	1.3
79.02597	1.0
79.05402	11.9
81.06973	100.0
82.07272	1.2
83.08526	1.6
87.94204	1.2
89.05950	1.5
91.05386	4.1
93.06978	11.2
95.04921	1.4
95.08538	30.2
105.06982	8.0
106.28041	1.1
107.08534	11.8
109.06429	1.4
109.10095	13.0
117.06953	1.5
119.08524	6.6
121.10120	9.3
123.11652	7.1
129.02718	1.2
131.08562	1.7
133.10078	4.7
135.08012	12.7
135.11647	6.7
137.09592	6.7
137.13248	5.5
139.07571	4.0
145.10110	1.5
147.11638	2.2
149.09601	6.1
149.13242	4.3
159.11662	2.4
163.07530	1.5
163.11111	6.7
164.10574	1.3
165.09064	51.0
187.11047	1.7
189.09023	1.5
189.12709	1.7
203.10663	6.7
205.12198	11.2
219.13747	2.6
227.17780	1.5
231.13814	2.3
237.78789	1.4
287.20270	1.7
287.23322	1.6
441.33102	11.8
441.37378	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	441.3361
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
53.00240	3.5
53.03862	3.6
55.05452	58.2
57.03376	6.6
57.07003	24.4
59.97229	3.0
62.33704	2.9
66.62476	3.5
67.05428	26.0
69.06985	54.2
69.87072	3.5
71.08556	20.1
71.46754	3.1
73.06078	3.1
76.38818	3.5
79.05409	29.5
81.06972	70.9
83.08526	34.7
86.11248	3.7
89.05947	5.6
91.05403	22.8
93.06956	44.6
95.08529	56.7
97.06479	3.9
97.10094	9.0
103.22159	3.5
105.06957	31.5
107.08534	72.3
109.00372	3.7
109.06474	5.2
109.10119	31.6
112.99947	35.5
117.06942	4.0
119.04881	4.9
119.08543	29.3
121.06461	20.1
121.09328	3.9
121.10075	34.3
123.08022	8.1
123.11619	27.1
125.09621	4.3
131.08492	23.9
133.06430	7.6
133.10085	15.5
135.08022	15.6
135.11632	8.5
137.09647	4.6
143.08543	8.8
145.10109	33.1
147.08032	6.7
147.11655	4.6
149.09621	6.1
151.07497	4.2
155.08493	5.7
157.10118	16.6
159.08022	18.6
159.11678	7.8
161.13161	4.1
163.11200	4.6
163.14862	4.2
169.02599	21.0
171.11632	16.4
173.09579	19.2
173.13170	8.7
175.11133	5.2
177.12703	4.1
181.09990	4.9
183.11696	4.3
185.09492	4.9
185.13333	5.5
187.11174	15.8
191.10660	3.7
197.13309	5.5
199.11140	8.3
199.14845	6.1
201.12708	8.9
213.12651	6.2
215.14369	12.8
223.14708	4.6
233.15361	4.4
237.16356	4.4
245.15382	6.0
259.16876	6.0
313.27216	16.8
317.21094	4.8
327.23132	5.4
345.23987	3.9
407.26151	4.1
423.32330	32.1
440.37366	4.1
441.33398	100.0
442.33688	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	441.3724
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.00220	2.0
53.95766	2.7
55.05450	4.8
55.05701	2.6
57.07008	3.4
67.05433	19.2
68.05792	2.4
69.06988	30.5
79.05396	20.0
81.06976	93.9
83.01268	3.1
83.04903	3.9
83.08521	12.3
91.05410	5.8
93.06969	17.8
95.08530	54.0
105.07002	23.9
106.85500	2.8
107.08543	28.3
109.10108	29.4
111.08019	5.5
119.08495	19.0
121.10107	20.2
123.11674	6.9
131.08501	3.2
133.10112	11.2
135.08006	29.1
135.11665	21.1
137.09598	4.3
137.13272	10.8
147.11679	5.9
149.09604	20.1
149.13222	3.7
161.13237	4.0
163.11186	10.3
165.09048	35.8
171.11691	3.1
177.78276	2.8
181.08449	2.9
189.16368	5.2
191.17912	3.1
203.10637	4.2
215.17990	3.5
235.17148	2.9
287.20282	3.5
287.23486	3.6
295.17230	5.0
441.37402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3725
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
54.38987	3.8
54.96118	4.5
55.05445	22.9
55.60354	4.3
57.03367	7.7
57.06995	12.5
57.21994	3.7
67.05429	43.4
69.06987	54.8
71.08538	7.0
72.04436	41.8
79.05418	19.0
79.72108	4.6
81.06980	95.4
83.08529	10.1
86.09625	5.6
90.26632	4.5
91.05383	31.0
93.06985	41.1
95.04887	6.3
95.08534	100.0
96.91949	5.6
97.06467	5.8
97.10105	10.2
105.06947	31.4
107.08524	59.7
109.06429	10.5
109.10123	74.5
109.54117	4.9
113.74708	5.3
115.76619	5.0
116.07038	73.7
119.08527	40.9
121.06422	6.7
121.10123	53.1
123.11669	24.8
131.08511	12.0
133.10054	32.2
135.11641	30.2
137.13199	10.8
145.10117	21.4
147.11678	20.5
149.13251	10.6
159.11635	26.4
161.13136	6.3
163.14758	4.8
165.12666	10.6
171.11636	7.6
173.13153	5.4
175.14740	9.6
187.14786	9.9
189.16335	6.1
191.17908	11.5
199.14758	8.4
201.16408	6.4
203.17964	6.6
205.19534	8.3
208.99960	4.9
213.16333	6.7
335.25766	39.8
405.35156	38.6
423.36337	34.5
424.86847	5.4
441.23633	6.9
441.29868	7.4
441.37158	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61839	1.4
53.03883	6.4
55.05434	3.2
56.04968	1.6
56.96495	1.9
57.03382	2.6
58.18950	1.3
61.02855	3.2
69.03352	19.9
69.06992	1.7
70.06509	31.2
71.04882	6.4
72.08062	7.8
73.02827	2.8
76.02172	1.4
81.03329	22.4
81.06977	3.5
84.04421	13.7
84.08057	23.4
85.02345	3.3
85.02830	80.9
85.74135	1.9
86.09626	8.4
91.05412	2.7
92.27055	1.9
93.06916	2.5
97.02824	39.6
99.04386	57.4
101.05945	1.8
103.03880	100.0
109.02848	19.7
110.07121	3.3
115.08607	2.2
119.04874	2.3
120.08034	2.2
120.11945	1.5
120.60191	1.7
123.08132	1.7
124.03896	2.9
127.03880	98.2
145.02881	2.2
145.04935	32.0
147.04414	2.4
149.09570	1.9
149.35179	1.7
163.05971	29.7
177.05363	2.9
184.07201	2.1
271.08017	3.3
276.26529	2.0
289.09076	3.5
307.10107	8.4
442.20544	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	442.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	3.0
57.07022	1.4
58.57072	0.6
60.04472	0.7
67.05429	6.6
69.06998	10.8
79.05410	3.5
81.06502	1.1
81.06977	27.0
82.07327	1.0
83.08521	0.7
89.89088	0.7
91.05395	0.9
93.06975	8.9
95.08536	10.4
105.06958	3.3
107.08536	5.6
109.10095	12.7
119.08540	5.0
121.06448	13.4
121.10103	4.9
122.07298	1.2
123.08015	0.9
123.11644	1.6
131.08597	1.1
133.10120	1.1
135.08028	1.2
135.11671	3.4
136.08809	15.6
137.09598	14.8
147.11679	1.2
149.09637	4.8
149.13316	1.2
151.07527	3.4
151.59187	0.7
152.08313	1.0
159.11627	1.2
163.14745	0.8
164.08298	28.6
164.09627	1.4
165.09084	100.0
166.09456	3.0
177.09091	3.0
179.10634	1.5
187.11119	0.8
189.09071	4.3
190.09877	1.3
190.67615	0.9
191.10640	5.1
203.10646	19.2
205.12253	7.0
220.14520	1.6
232.14407	1.0
424.33252	29.8
443.33188	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	443.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92039	0.8
54.82366	1.1
55.00786	0.8
55.05451	7.6
57.07016	4.4
59.68440	0.9
65.23419	0.9
67.05421	16.2
69.03372	1.0
69.06989	21.1
71.05659	1.1
71.08537	4.6
79.05407	12.4
81.06976	42.9
83.08527	6.0
85.02823	2.6
91.05407	100.0
93.06967	19.5
95.04884	2.5
95.08536	35.7
95.09142	1.7
97.06464	2.5
97.10103	1.6
105.06984	14.0
107.04884	1.1
107.08525	20.0
107.80288	1.0
108.08056	13.8
109.06458	8.3
109.10109	24.4
111.04424	1.7
111.11703	1.6
113.05965	2.3
114.38790	1.4
117.06943	2.2
119.08511	13.9
121.06463	14.6
121.10088	14.6
123.08030	1.3
123.11672	8.0
125.05930	14.1
130.78925	1.2
131.08531	4.1
133.10098	7.7
135.07991	4.7
135.10759	1.2
135.11676	6.8
137.05861	1.3
137.09598	4.3
137.13214	2.3
143.08464	1.8
144.77180	1.1
145.10085	4.9
147.08005	6.9
147.11661	6.1
149.06001	1.5
149.09541	1.7
149.13269	10.6
151.07509	7.4
157.10106	1.9
159.11653	1.8
161.09587	2.3
161.13217	1.7
163.07513	1.8
163.11198	1.2
163.14803	1.1
165.12741	4.6
171.11697	2.3
173.09523	1.4
173.13264	2.1
175.07501	1.2
175.11217	1.2
175.14828	2.2
177.09132	1.2
189.12686	1.3
191.10616	1.7
213.16389	1.4
231.39066	1.1
291.23114	1.4
295.24072	4.5
321.19580	1.1
398.30426	32.5
425.30222	1.7
443.33328	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	443.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31663	2.4
55.05445	13.9
55.95832	2.6
57.07012	11.5
60.04445	4.7
62.20024	2.7
67.05422	21.9
69.03342	3.1
69.06995	35.0
79.05392	21.0
81.06976	100.0
83.01254	5.0
83.08526	5.0
84.80193	2.7
89.06001	3.0
91.05396	5.8
92.10249	8.1
92.94416	2.8
93.06985	25.1
95.08541	41.4
97.06482	12.6
105.06944	11.4
107.08544	18.1
109.06477	5.5
109.10117	15.2
119.08529	11.4
121.06427	3.3
121.10100	10.6
123.11672	10.0
131.08533	3.6
133.10141	5.1
135.11642	10.4
137.05911	3.4
146.85126	2.8
147.11650	2.9
149.13263	4.1
157.09970	2.6
165.09084	4.5
175.11293	3.1
177.12677	3.3
264.43057	2.7
410.69662	2.9
443.33411	76.7
443.42209	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3154
Annotation	Triptocalline A
Peak:m/z	Relative Intensity
53.84017	1.3
54.24722	1.2
55.05455	14.8
57.07001	6.9
67.05426	28.1
67.38461	1.1
69.06642	2.4
69.06985	38.6
79.05409	22.6
81.06974	100.0
83.01244	6.9
83.08530	9.4
85.02784	1.5
85.12510	1.2
91.05392	11.3
92.10857	2.1
93.06972	32.7
95.04895	2.8
95.08532	57.8
97.06434	2.4
97.10081	2.5
103.06456	1.6
105.06987	13.9
107.04890	6.3
107.08545	28.9
108.18147	1.4
109.06454	2.6
109.10107	31.6
111.04413	1.3
111.11648	2.5
117.06977	2.0
118.42337	1.3
119.08544	11.4
121.06412	2.6
121.10091	17.2
123.11636	9.9
124.29536	1.4
125.05934	9.1
131.08534	2.9
133.10063	7.4
135.08000	1.7
135.11641	13.2
137.05901	1.4
137.13217	3.3
145.10068	5.3
145.94330	1.3
147.11662	3.2
149.13243	13.2
151.07518	1.9
153.05397	10.1
157.10025	1.5
159.11650	2.3
163.11362	1.6
163.14772	5.9
165.09024	1.6
167.07089	4.6
171.06491	3.1
175.11090	2.8
177.09048	2.2
177.16397	2.4
187.11093	1.8
189.16306	1.7
231.44398	1.4
246.18889	1.4
251.12579	2.2
287.19913	1.8
425.30151	3.3
443.32697	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	443.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	0.4
57.18225	0.3
67.05415	0.4
67.12520	0.4
69.06976	0.4
90.10440	0.4
95.08463	0.4
109.10062	0.5
189.31998	0.5
192.01401	0.3
224.71201	0.4
283.40381	0.4
443.33365	100.0
444.33694	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	443.3517
Annotation	Topsentisterol A1
Peak:m/z	Relative Intensity
51.22118	0.6
51.58574	0.5
52.53220	0.7
53.00245	1.0
53.03881	1.0
54.70090	0.6
55.05451	10.4
57.07007	4.1
65.03861	1.0
67.05428	15.2
69.06990	45.0
71.08523	0.9
73.94471	0.5
76.83987	0.6
79.05409	14.2
80.06903	0.6
81.06975	100.0
83.01257	11.1
83.04903	0.9
83.08543	5.1
85.02841	6.1
88.01232	0.8
91.05393	4.9
92.87101	0.6
93.06971	19.6
95.04890	1.3
95.08536	38.3
97.06492	0.9
97.10118	0.8
105.06987	6.2
107.08546	15.5
109.06461	1.1
109.10101	14.8
111.08040	1.6
119.08549	7.8
121.06496	1.6
121.10096	15.5
123.08054	5.0
123.11652	7.8
125.05952	2.8
125.09549	1.0
131.08530	0.9
133.10071	5.7
135.08040	7.1
135.11676	6.7
136.34671	0.7
137.05959	3.6
137.09589	7.6
137.13260	5.3
138.06702	1.2
139.07523	4.2
143.08582	1.0
145.10109	1.6
147.11642	3.9
149.09581	2.8
149.13234	6.6
151.07533	6.2
151.11153	0.9
153.09079	13.0
159.11697	1.4
161.13216	1.3
163.11153	1.5
165.09068	11.9
165.12708	0.8
167.10591	1.1
175.14844	1.7
177.09091	3.0
179.10648	7.5
181.12218	1.3
187.14909	1.0
191.10574	1.0
191.14238	0.9
193.15874	1.3
205.12216	3.0
205.15710	1.1
207.13759	2.6
221.15256	6.5
233.15300	4.3
239.16208	0.9
247.16772	0.9
251.16414	1.2
271.83997	0.9
275.20123	1.1
289.21512	1.4
301.21533	0.7
307.22604	1.5
339.00507	0.9
425.34024	5.9
443.34296	31.1
444.34393	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3519
Annotation	Topsentisterol B2
Peak:m/z	Relative Intensity
50.76527	1.3
52.34581	1.3
55.05461	3.3
57.07012	6.3
58.70860	1.6
69.06988	9.7
69.96638	1.5
71.08538	2.9
79.05391	2.3
81.06987	14.5
83.08530	3.6
91.05414	2.7
92.62894	1.7
93.06974	4.0
95.08529	4.0
97.06473	2.1
97.10069	2.4
100.32064	1.6
105.06982	3.2
105.26875	1.7
107.08570	3.8
109.06476	2.0
109.10105	2.3
119.08530	3.0
133.10095	8.2
134.63197	1.9
135.11760	2.4
143.08511	3.3
145.10060	2.3
147.11719	2.2
157.10201	2.5
158.88342	1.8
169.10126	2.3
173.09593	3.6
183.11664	3.3
185.13223	2.4
188.34479	1.8
211.14807	2.2
215.14320	1.8
225.16399	2.9
244.39861	1.6
267.61655	1.6
315.96466	1.7
355.96863	1.7
361.48077	1.8
400.01709	1.7
407.33575	2.2
412.62408	1.8
425.33502	2.1
443.34378	100.0
444.34109	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	444.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	1.0
53.34834	0.6
55.01805	1.1
56.96497	0.9
57.03373	6.2
57.06996	1.7
61.02855	8.7
69.03346	16.8
70.06507	6.4
71.01261	1.0
71.04910	1.3
72.08076	3.0
73.02830	6.6
81.03348	5.4
83.01248	0.9
83.04845	0.7
84.04431	2.7
84.08035	0.9
85.02825	100.0
85.06434	1.2
86.03164	0.8
86.09608	1.8
87.04379	2.8
91.03882	6.2
95.01257	23.2
97.02822	25.0
98.03175	0.7
99.04388	5.1
101.02312	0.8
103.03862	3.9
105.76816	0.8
109.02822	6.9
110.07098	1.4
113.02317	4.8
116.98580	1.0
125.05924	4.4
127.03886	19.9
131.03371	1.1
136.07655	0.7
141.01805	58.3
145.04932	28.5
153.05379	5.3
154.06218	1.6
156.55095	0.9
159.02887	6.4
163.06013	10.2
177.03993	1.6
181.07071	0.8
185.08090	7.8
321.07974	1.4
385.07776	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	444.3107
Annotation	Yibeissine
Peak:m/z	Relative Intensity
54.82026	0.5
55.05453	5.5
57.06997	2.0
65.15432	0.4
65.73475	0.5
67.05424	11.0
69.06987	4.5
70.06499	2.8
71.08543	0.6
79.05396	2.9
81.06969	10.8
83.08549	1.1
86.09628	0.7
88.07556	0.5
89.05946	1.1
91.05404	20.5
93.06964	3.7
95.04896	5.1
95.08535	7.6
96.53547	0.4
97.06493	0.8
101.76648	0.4
102.07385	0.4
103.05424	0.5
104.99174	0.8
105.06974	2.0
106.96429	0.5
107.04916	0.5
107.08543	1.7
109.06542	1.5
109.10118	2.3
118.06451	0.9
119.04891	27.7
119.08533	1.0
121.06469	0.9
121.10105	1.0
123.04380	27.0
123.11730	0.4
132.10204	2.9
133.10078	0.5
136.07549	100.0
137.07883	1.7
137.78741	0.5
146.11725	1.0
147.04375	13.2
147.11563	0.5
165.05440	37.3
166.05847	0.5
166.92581	0.4
182.08087	31.2
183.08430	0.6
193.97707	0.4
332.87076	0.5
338.34244	0.7
382.36725	3.5
398.30557	1.9
444.34326	0.8
444.40402	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	444.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00239	5.5
55.05444	7.0
57.07000	4.4
58.88741	2.5
67.05437	24.0
67.33936	3.0
69.03349	62.0
69.06987	51.5
79.05421	25.9
81.06979	100.0
83.01250	39.9
91.05422	3.7
93.06969	24.4
95.08530	55.0
97.06463	26.4
100.44292	3.5
100.53118	3.2
105.06988	6.6
107.08533	24.3
109.10120	25.0
117.07018	3.9
119.08565	17.6
121.10115	17.3
123.11694	13.4
125.05939	76.3
127.03834	4.4
135.11676	12.7
137.13327	3.7
145.10085	5.2
149.13234	6.8
153.05449	70.5
156.09218	3.0
167.07083	3.9
171.47546	3.4
175.14612	3.1
177.16368	3.3
187.76326	3.6
196.17821	3.0
209.11833	4.0
392.86554	3.6
413.30405	21.0
443.33493	5.2
444.33566	16.1
460.32129	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	445.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12702	0.2
51.34835	0.2
51.58770	0.2
57.03361	0.4
62.01528	0.2
63.02290	0.5
78.04624	0.6
81.29391	0.2
89.03839	16.5
91.05368	0.6
92.10207	1.1
93.06982	0.3
93.74641	0.2
95.04880	0.5
101.32169	0.3
103.05398	0.5
105.02343	0.3
105.03328	0.3
106.04118	1.0
117.03328	51.6
118.03691	0.4
119.04881	0.5
124.05071	0.3
134.03592	4.6
135.04367	4.6
145.02824	100.0
146.03204	2.0
149.05956	19.2
162.03064	0.4
163.03799	0.5
177.05437	98.0
178.05743	1.2
186.05399	2.1
251.09061	4.3
260.26382	0.3
427.13754	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	445.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28897	2.0
55.01805	3.5
55.05430	3.8
56.04955	2.6
57.07005	14.9
59.52675	1.9
66.95534	1.9
69.03354	5.4
70.06510	37.4
71.04905	3.6
72.08071	17.2
74.05973	3.6
81.03324	3.0
81.06955	2.5
83.58506	2.2
84.04437	9.8
84.08073	15.0
85.02817	10.6
85.06461	3.9
86.05983	3.2
86.09630	18.1
91.05405	3.8
95.04861	3.6
95.07152	2.1
97.02810	11.4
103.03864	2.5
103.05411	2.0
106.02911	2.9
109.02830	3.0
109.06529	2.8
110.07092	8.3
114.02273	2.4
115.05376	3.8
116.98550	2.2
117.03281	2.9
120.08054	3.7
124.03928	2.8
127.03851	3.3
129.10197	3.8
136.06131	4.9
136.07555	2.8
140.04684	8.2
144.05652	4.8
145.02835	8.8
145.06491	4.4
160.05092	3.2
175.07506	5.0
177.05435	14.4
179.08582	5.3
181.06407	3.9
182.08063	12.5
189.06950	9.0
190.07777	3.4
191.08510	12.5
192.27681	2.1
194.07283	19.5
195.07945	3.2
205.06458	20.3
206.07182	10.5
207.08046	21.7
209.09584	12.0
214.52010	2.2
218.07321	2.5
219.08011	30.1
220.05183	15.8
221.05840	9.3
222.06706	11.4
232.05161	3.5
233.05904	16.4
234.06729	32.2
235.07556	25.8
236.08278	4.4
237.09081	34.7
245.05916	3.0
246.07253	4.3
247.07588	4.7
247.11647	3.7
248.04579	15.2
249.05415	4.6
250.06151	18.8
251.07028	5.1
254.09258	11.5
260.04529	11.1
261.05307	4.7
262.06219	47.5
263.06946	71.5
264.07565	9.9
265.04971	5.2
265.08554	25.0
267.06403	4.4
274.06992	3.7
279.06326	16.6
281.07849	3.6
282.08713	20.2
290.05594	24.4
291.06403	9.6
293.04407	10.4
293.07983	9.1
294.08731	10.8
295.09531	2.9
297.11081	36.3
308.06604	19.0
318.05118	3.8
322.08224	3.1
323.08939	19.5
325.10736	19.0
327.08609	4.9
337.06857	3.0
342.10880	9.8
351.08551	100.0
355.11536	5.2
357.13287	30.3
383.11200	41.5
400.13834	36.4
411.10559	9.4
428.13235	20.8
429.11676	21.6
445.15863	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	445.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39054	0.9
53.03892	1.8
54.37893	1.0
55.01818	1.9
56.96507	9.7
57.03379	1.5
61.02536	1.1
61.02841	1.8
65.03877	1.8
67.05418	1.6
69.03370	10.4
70.06497	10.5
79.05405	1.5
81.03324	6.8
81.06942	1.6
84.08125	1.8
85.02827	12.7
86.09624	1.8
87.00745	6.7
91.05408	26.9
91.17328	1.2
93.06986	6.7
97.02826	5.6
98.97490	2.0
99.04403	2.5
104.64460	1.3
105.01814	2.3
105.06979	7.1
107.08537	63.2
109.02832	7.7
109.06442	2.4
109.10081	2.3
119.04894	29.9
119.08518	5.6
121.10101	2.1
123.11677	1.6
124.03914	1.5
125.04270	1.1
127.03868	7.6
133.10095	29.9
134.99590	1.8
135.04405	2.0
135.11639	8.0
143.08601	1.4
145.02852	1.3
146.99683	2.1
147.04381	23.5
151.11176	7.1
161.09557	14.0
165.82104	1.2
167.10582	2.8
175.03873	34.7
177.05478	2.0
179.07008	1.3
179.10629	17.9
197.11703	100.0
200.02301	1.6
204.72238	1.2
207.06505	24.4
209.42244	1.5
214.52406	2.1
221.02696	1.9
221.11731	1.4
225.78575	1.4
227.02731	1.9
230.03346	1.4
236.89447	1.3
241.94299	1.2
336.05966	1.9
357.02795	5.0
369.02762	1.8
371.04330	5.2
375.07455	16.2
381.02655	2.5
384.07785	4.4
385.05768	2.4
387.03653	2.3
389.05240	1.9
395.04352	1.7
399.03851	7.5
405.08600	10.5
411.03699	5.2
414.08591	2.2
417.04874	2.2
441.04462	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.7
54.81881	0.4
55.01809	2.6
55.05438	0.8
55.42865	0.3
57.03378	2.7
59.04918	0.7
59.18290	0.3
61.02852	1.8
67.05407	0.6
68.99703	1.5
69.03349	13.4
69.06967	0.4
70.06481	0.6
70.47721	0.4
71.01222	0.5
71.04894	0.5
73.02810	0.9
79.05405	1.6
81.03334	10.0
81.06963	1.8
85.02826	27.9
86.09603	0.4
87.00757	11.8
91.05386	5.0
93.06969	11.3
95.04910	3.7
95.08525	0.8
97.02821	5.9
99.04372	3.2
101.02274	0.4
103.03881	0.7
105.01799	4.8
105.06972	10.1
107.08537	34.3
109.02834	8.3
109.05807	0.3
109.06465	2.3
109.10104	2.4
113.13306	0.3
115.05384	0.3
117.01742	0.4
119.04897	0.6
119.08541	4.0
121.06451	3.7
121.10096	0.4
123.04349	0.8
123.11641	1.7
127.03876	10.6
129.01814	0.7
131.08527	0.6
133.10097	36.9
135.08011	0.5
135.11656	31.5
136.11961	0.4
137.05969	1.4
137.09592	1.8
143.08557	0.7
145.04926	0.9
146.07237	0.5
146.16595	0.4
151.11151	3.1
159.02872	2.1
161.09573	21.3
162.09909	0.6
167.43726	0.4
179.10629	52.7
180.11020	0.7
197.11693	100.0
198.11995	2.5
231.04936	1.8
234.62827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45621	1.5
53.03882	2.6
55.05436	3.5
55.48679	1.9
56.96496	2.2
57.03360	2.0
58.87889	1.7
67.05383	1.6
69.03359	17.1
70.06511	21.4
71.04897	2.4
72.08076	2.8
79.05379	3.4
81.03333	14.1
81.06955	2.6
84.04414	3.0
84.08067	9.8
85.02822	24.6
86.09603	9.6
87.00761	15.4
90.51255	1.9
91.05393	10.5
93.06976	18.9
95.04894	8.7
97.02823	29.8
99.04357	6.7
105.01761	2.0
105.06980	17.2
107.08535	49.6
109.02831	2.9
109.06483	3.6
109.10075	3.6
119.04926	3.3
119.08515	8.4
120.08042	2.5
121.06446	3.0
123.11597	1.7
124.03886	2.7
127.03857	18.4
133.10100	54.2
135.08064	1.7
135.11664	38.3
136.07576	3.5
161.09590	27.9
175.03960	2.1
177.05548	1.8
179.10634	63.4
182.85782	1.8
194.50943	2.1
196.09023	1.9
197.11697	100.0
198.11975	2.0
231.05069	2.8
239.91933	2.2
334.80341	1.9
361.82446	2.0
391.72763	2.3
445.15768	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	445.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	10.1
55.63070	1.4
57.07014	17.6
67.05421	7.5
68.27191	1.4
69.06989	100.0
70.06496	2.3
71.08555	3.3
79.05411	6.1
81.06962	15.0
83.08531	25.1
91.05402	7.9
93.06966	12.0
95.08531	10.8
97.06432	2.4
99.04379	1.8
105.06973	8.4
107.08538	9.1
109.10116	2.5
115.03194	1.6
117.06996	3.1
119.08517	8.3
120.08054	2.9
121.10086	3.4
123.11650	2.2
125.13262	3.4
126.35845	1.5
131.08542	6.6
133.10106	16.3
135.11644	2.8
137.59758	1.4
143.08502	2.1
143.14372	1.4
145.10117	10.0
147.11694	6.2
149.13272	3.1
159.11705	3.2
160.07878	2.2
166.08592	1.7
171.11630	2.2
185.13324	1.7
187.14705	3.0
195.11630	2.2
216.14111	7.6
217.02158	1.7
239.17989	2.5
256.26205	14.1
285.18329	3.3
385.30756	1.8
409.30609	2.7
425.79089	1.7
427.31784	3.6
441.16434	2.0
445.33408	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	445.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03864	1.5
55.05453	9.7
57.03378	1.9
57.07002	6.9
58.18394	1.1
58.70096	1.0
59.06048	1.1
60.05270	1.1
60.05577	31.4
67.05431	18.5
69.03339	7.6
69.06654	1.5
69.06992	31.2
71.08552	1.2
79.05412	14.3
81.06977	100.0
83.01250	6.8
83.08537	6.2
91.05402	7.9
93.06974	26.6
95.04875	2.1
95.08540	44.4
97.06441	4.7
105.06982	12.7
107.08543	16.7
109.06466	7.3
109.10111	22.1
111.08028	1.6
111.11588	1.3
117.06963	1.4
119.08514	10.5
120.08087	1.3
121.06479	2.4
121.10111	20.1
123.08050	8.4
123.11653	7.5
125.05940	2.2
127.07522	2.6
131.08543	2.6
133.10081	10.5
135.08069	4.2
135.11690	9.5
137.05943	1.4
137.09561	1.8
137.13200	2.8
137.15311	1.1
139.07495	6.6
145.10069	5.9
147.11658	2.2
149.09550	1.5
149.13249	7.2
151.07512	11.7
153.05482	1.5
156.09315	1.4
157.10178	1.3
159.11597	2.1
161.09641	1.2
161.13239	2.8
163.07539	1.7
163.14807	1.7
165.09085	6.6
167.07024	6.0
171.11723	1.5
173.09587	2.1
175.14787	1.3
177.16396	1.6
181.12141	1.5
189.16414	1.6
195.13832	2.2
203.17892	1.9
207.13808	1.3
209.11757	5.0
217.12224	1.5
271.26367	1.3
291.19565	2.0
359.25415	1.5
407.63812	1.2
427.31613	9.1
444.33124	1.3
445.33569	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00239	1.1
53.03886	1.4
53.99387	0.6
54.82159	0.6
55.05450	10.7
57.06999	4.3
59.06048	2.5
60.05308	1.0
60.05583	18.8
65.03853	1.2
67.05432	19.6
69.03335	4.1
69.06989	36.1
71.08524	0.8
79.05413	18.7
81.06976	100.0
83.01250	3.1
83.04913	0.7
83.08539	5.6
91.05415	9.1
93.06973	25.0
95.04893	1.5
95.08535	48.4
97.06451	3.9
97.10090	3.4
105.06976	11.7
107.07858	1.0
107.08537	21.0
109.06466	3.2
109.10103	19.5
111.08035	0.8
111.11660	0.8
117.06927	0.9
119.08549	10.1
121.06434	2.5
121.10092	20.6
123.08028	7.0
123.11658	7.9
125.05918	4.4
127.07521	4.5
131.08530	1.3
133.10106	5.9
135.08031	4.5
135.11647	8.7
137.05901	3.2
137.09576	2.7
137.13219	4.6
139.07487	2.6
143.08533	0.8
145.10094	2.8
147.08014	0.7
147.11653	6.0
149.05965	0.7
149.09618	1.6
149.13255	7.0
151.07539	7.4
153.05435	4.4
153.09044	0.7
159.11656	3.2
161.09563	1.0
161.13174	4.1
163.07503	1.6
163.11086	2.4
163.14757	1.4
165.09081	14.3
167.07013	5.1
169.08501	3.1
171.06528	1.1
171.11691	1.3
175.11165	0.8
175.14836	1.2
177.09024	1.1
177.12759	1.1
177.16382	0.9
179.10585	1.0
181.08565	0.7
189.12695	1.4
189.16347	2.6
191.10579	1.0
199.11124	0.8
203.17815	0.7
205.12202	1.5
207.10164	0.8
209.11641	1.0
225.11212	4.0
235.13196	0.9
245.22571	0.9
253.14162	1.1
276.55832	0.7
309.20377	0.7
427.31955	4.8
445.32776	3.5
474.09659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3309
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
52.26037	0.5
53.00241	0.8
53.03890	1.0
55.01801	1.0
55.05449	8.7
57.03373	0.8
57.07011	4.1
61.04192	0.5
63.30144	0.5
67.05076	0.7
67.05421	19.5
69.03344	6.1
69.06986	29.4
71.08541	0.6
79.05408	20.1
81.06973	100.0
83.01246	5.4
83.04898	0.8
83.08553	5.5
85.02847	0.9
85.70214	0.7
91.05390	7.4
92.10310	1.4
93.06969	25.9
93.84933	0.6
94.76274	0.5
95.04895	2.9
95.08528	46.5
97.02814	0.7
97.06463	4.3
97.10088	2.5
105.06972	11.6
107.08529	19.7
107.09201	1.1
109.06464	2.5
109.10101	23.5
111.08028	3.0
111.11675	1.3
113.05947	4.0
115.03865	0.8
117.06949	0.8
119.08521	8.3
121.06456	5.0
121.09212	0.6
121.10087	18.7
123.08009	6.6
123.11652	8.9
125.05939	3.3
125.09593	1.0
127.07476	2.0
131.08510	2.9
133.10094	5.5
135.08020	3.3
135.11642	10.6
137.05954	1.2
137.09590	1.0
137.13206	4.8
139.07520	20.8
145.10115	4.1
147.11647	4.5
149.09555	2.1
149.13232	7.9
151.07515	9.6
151.11159	0.9
153.09047	0.6
155.06950	2.1
159.11674	2.5
161.09555	2.3
161.13243	3.9
163.07500	1.1
163.11166	2.1
163.14771	3.4
165.06773	0.6
165.09047	4.5
167.07008	5.5
167.10672	0.7
169.08565	0.8
171.11636	0.6
175.07474	1.0
175.11137	0.9
175.14680	1.0
177.09081	0.7
177.12659	1.0
177.16364	2.6
179.10686	1.0
181.08600	0.7
181.12167	0.8
189.09076	2.5
189.12704	2.4
189.16347	1.0
191.10606	2.4
191.17976	1.0
193.12221	0.6
195.13701	0.9
203.10806	0.7
203.17960	1.0
205.12190	2.0
207.10013	1.0
207.13725	2.5
209.11679	3.4
217.12175	0.8
223.13263	0.6
225.11148	2.1
231.13875	0.7
291.19458	6.2
299.22681	0.6
303.19220	0.7
359.25616	2.9
371.25549	0.8
397.27554	0.6
399.32211	1.0
427.31860	12.4
428.32440	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3674
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
52.62157	2.6
53.00245	2.8
55.05452	20.5
57.07016	23.4
61.09260	2.7
64.05025	2.7
66.74753	2.8
67.05434	23.9
69.06987	53.5
71.08530	14.3
71.29677	2.6
79.05418	26.4
81.06975	100.0
83.01280	4.0
83.08533	10.7
85.10105	4.4
91.05395	11.2
92.10978	5.0
93.06979	43.9
95.08533	49.8
97.06473	3.9
97.10094	9.9
105.06982	23.4
107.08546	49.6
109.06461	6.8
109.10117	28.1
114.42014	3.0
117.06979	5.1
119.08543	17.1
121.06518	2.7
121.10092	24.8
123.08096	3.7
123.11692	13.1
131.08517	3.6
133.10115	15.9
135.11639	20.0
137.13251	5.1
139.07565	3.2
143.08507	4.8
145.10098	20.1
147.08044	3.5
147.11685	11.3
149.13232	4.6
155.08554	3.1
157.10052	11.4
159.11632	6.7
161.09602	5.8
161.13293	2.7
165.09137	5.3
171.11714	4.7
173.09593	37.4
173.13260	3.8
175.11177	27.5
177.12772	2.8
185.13281	5.2
191.10654	25.3
195.11636	3.8
201.16112	3.1
209.13112	2.9
217.12117	3.5
226.06111	3.7
251.17969	3.6
269.19016	5.3
287.19864	19.1
353.28177	3.2
409.34607	19.1
427.35715	92.6
428.36200	3.5
445.27029	54.1
445.32697	9.3
446.27380	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	446.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96489	0.8
61.02836	0.2
62.81784	0.2
66.55571	0.2
69.03337	0.3
69.06982	0.8
71.04902	0.2
72.08069	0.4
75.84798	0.2
79.05399	0.9
80.03503	0.2
81.03317	0.2
84.04420	0.3
85.02859	0.9
86.09642	0.2
87.04387	0.2
91.05404	0.4
93.06967	1.3
97.02818	0.3
103.05401	4.8
107.04898	1.3
111.04530	0.2
120.08057	100.0
121.08408	2.6
127.05009	1.1
131.04869	2.3
136.07520	0.2
149.05991	1.5
166.08606	21.4
167.08908	0.4
167.80107	0.2
201.04401	0.2
204.78038	0.2
205.87462	0.2
213.30014	0.2
240.05423	0.5
258.78073	0.2
348.08612	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29617	0.8
51.20789	0.9
55.05445	2.5
57.03376	2.1
61.02849	2.2
62.50591	1.0
69.03349	10.6
71.04880	1.1
71.87197	1.0
76.55860	1.1
81.06972	2.4
83.04897	2.5
85.02832	5.2
91.05416	9.8
93.06947	1.1
95.08537	1.4
99.04342	1.2
103.34558	1.0
105.06984	2.0
107.08541	38.7
109.06432	1.1
111.04375	1.3
117.07020	1.3
119.08542	100.0
129.05458	1.4
130.70836	1.0
133.06454	1.5
135.08022	27.8
137.18793	1.0
176.07874	1.1
217.66435	1.1
281.13779	1.8
302.54889	1.3
306.27927	4.8
415.20944	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	446.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	3.3
53.04181	1.8
55.05439	15.3
57.07002	15.2
59.06054	2.6
60.05588	2.6
67.05427	26.1
69.03359	3.5
69.06994	48.4
70.06506	17.7
70.07314	3.2
79.05406	22.0
79.80607	2.1
80.05715	3.9
81.06975	100.0
82.07308	27.3
83.01258	5.1
83.08540	5.8
85.02812	2.8
85.71471	2.3
88.07516	8.1
91.05401	9.3
93.06978	32.2
94.07305	5.7
95.08537	49.9
96.08863	10.6
99.04370	2.4
105.06950	14.5
107.08536	25.1
108.08871	4.4
109.10102	20.3
110.10438	5.3
111.08027	3.6
119.08525	13.9
121.10095	19.4
122.10480	4.4
123.08033	5.5
123.11652	5.5
124.11960	3.1
125.05975	3.3
132.10158	5.3
133.10091	9.6
135.08002	4.8
135.11653	11.0
137.05919	3.4
137.13226	3.9
139.07524	4.4
140.07825	3.9
145.10086	6.0
146.11681	5.7
147.11670	3.0
149.13205	2.9
150.13507	4.3
151.07524	9.6
161.13251	3.4
165.09102	3.4
169.20078	2.5
209.11661	4.2
292.19623	4.5
295.62213	2.6
321.44388	2.6
340.35696	13.0
384.38409	31.2
408.78867	2.9
428.31961	12.8
432.10474	2.8
446.41989	50.8
447.30676	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	446.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	4.5
57.07016	14.2
58.06528	2.5
61.36961	1.1
63.57256	1.1
67.05412	1.3
69.06992	2.7
70.06511	32.3
70.51072	1.2
71.08529	1.7
72.08076	2.2
78.97075	1.1
81.06963	7.3
83.08530	1.7
85.10110	1.5
86.09624	6.0
88.07550	8.1
95.08527	2.1
102.09096	2.5
107.08549	2.8
115.22793	1.4
119.08566	2.3
130.39969	1.1
132.10175	13.2
146.11736	13.2
147.11700	1.5
173.36191	1.5
271.85184	1.3
322.34515	2.1
340.35864	8.6
364.25525	1.6
384.38309	60.6
446.41986	100.0
447.28671	3.1
447.42596	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81918	1.1
56.96502	72.0
57.48269	1.1
59.64412	1.1
64.41582	1.1
71.95187	1.0
74.97528	1.6
85.02856	1.3
90.99132	1.3
97.99102	1.1
107.00101	1.3
116.07047	1.3
118.06487	7.1
130.06427	1.5
132.08031	6.1
143.98076	1.3
144.08032	2.2
146.05983	14.2
174.02216	20.9
174.09669	1.2
188.03860	2.3
188.07024	15.8
192.03288	96.4
193.03610	1.8
202.01848	1.2
204.03291	1.7
205.09688	2.3
206.04851	28.9
210.04372	36.2
215.04880	29.8
217.06442	17.9
218.47646	1.3
220.02789	2.6
222.04401	8.2
224.05965	10.3
226.03960	1.9
229.02824	1.8
233.05942	45.8
234.04276	2.3
235.07500	40.7
236.02217	1.3
236.07875	1.7
238.03821	7.1
243.04396	2.9
247.03854	6.5
247.08063	1.3
247.62003	1.4
261.05405	94.2
279.06461	100.0
284.06921	1.8
316.05963	7.3
334.07181	1.6
402.11365	12.1
430.10556	13.2
447.13293	37.2
448.12009	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	447.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97223	1.2
52.67390	1.2
52.90254	1.1
53.03914	1.3
55.05455	19.0
57.03374	13.5
57.13628	1.3
59.60446	1.2
61.02855	1.5
63.89865	1.3
65.03864	1.6
67.05071	2.0
67.05428	52.0
69.03345	7.4
69.06988	13.5
70.54594	1.2
71.43257	1.2
72.91433	1.4
74.79510	1.4
79.05405	32.5
81.03360	1.9
81.06970	45.3
83.04895	2.5
83.08548	3.6
85.02819	2.7
91.05405	19.7
93.06972	34.2
95.04903	3.5
95.08530	30.6
97.06438	1.7
97.10110	1.4
105.06996	15.7
107.07862	2.2
107.08540	40.8
108.08861	5.9
109.06507	2.5
109.10103	11.2
111.04414	1.7
112.99961	100.0
117.06944	1.6
119.07777	2.0
119.08532	52.0
120.08122	2.0
120.08865	15.0
121.10099	13.0
123.11668	3.2
127.02071	1.7
131.08568	7.5
135.08015	12.5
135.11655	6.9
145.10066	2.8
147.11562	2.4
149.13170	2.5
169.02554	26.1
172.95766	1.7
187.03712	1.8
189.13869	1.9
231.89412	1.8
243.20943	2.6
261.21954	8.9
309.15982	1.7
335.25748	42.9
407.21616	1.6
441.04648	1.5
446.30664	2.4
447.30524	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	448.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.6
53.94225	0.3
54.28402	0.3
55.01806	3.4
57.03370	2.7
59.04933	0.4
61.02852	0.6
69.03350	15.0
69.69901	0.3
70.06482	0.4
71.04897	0.4
72.08021	0.4
73.02811	1.8
76.02110	0.3
78.03368	4.8
80.04929	2.3
81.03336	10.8
83.04876	0.5
85.02825	18.0
86.05967	0.4
86.09635	0.5
96.04420	4.6
97.02829	7.7
99.04389	3.1
101.02299	0.6
106.02859	30.4
107.03190	0.4
109.02825	6.5
124.03910	100.0
125.04289	0.4
127.03870	10.6
137.69218	0.4
145.04950	1.8
151.18686	0.4
180.67163	0.4
220.28595	0.3
232.05904	1.3
250.07057	5.7
258.68814	0.4
268.08105	9.6
286.09146	36.9
288.13199	0.5
389.14371	1.3
394.11212	0.6
412.12421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02312	0.5
51.66986	0.4
53.03873	2.0
55.01802	3.1
56.96499	3.9
57.03377	3.4
59.04905	0.5
59.57431	0.4
61.02832	0.6
69.03350	15.8
71.04902	0.6
72.65158	0.4
73.02833	1.8
78.03358	4.8
80.04926	2.5
81.03338	11.6
83.04892	0.7
84.08061	0.8
85.02824	19.1
92.10228	0.9
96.04430	3.8
97.02820	7.4
99.04371	3.0
101.02292	0.7
106.02859	32.3
109.02816	6.0
113.19031	0.6
118.06482	1.0
120.13815	0.5
124.03911	100.0
125.04254	0.6
127.03869	10.3
130.06485	0.6
132.08017	0.5
143.95746	0.5
145.04953	1.2
146.05980	3.5
147.30600	0.5
159.09149	0.6
188.07047	2.5
189.07414	0.6
192.03278	3.1
193.03505	0.6
210.04410	2.3
211.04657	0.6
215.19128	0.5
217.96953	0.5
233.05901	1.1
235.07503	0.8
236.07716	0.5
241.29124	0.5
244.00772	0.5
250.07045	5.2
261.05463	3.3
262.05725	0.9
268.08105	8.6
279.06406	2.7
280.06815	1.9
286.09137	37.2
296.89420	0.4
338.91922	0.5
394.11130	0.8
412.11868	0.7
424.66980	0.6
448.13550	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32465	0.6
54.81680	0.7
56.04972	2.9
58.77185	0.6
60.05585	1.0
67.86513	0.5
70.06503	4.0
72.08039	0.6
76.02136	0.8
79.05394	0.7
81.07474	0.6
83.04893	0.9
83.06004	2.5
84.04433	1.4
84.08067	0.7
85.02834	1.3
91.05413	2.6
95.06033	0.8
98.07081	0.8
105.03319	3.1
105.05749	0.7
106.06484	0.9
110.07097	1.5
111.05522	9.1
113.07076	1.1
115.03896	0.7
120.03580	0.6
120.04408	21.7
120.05186	1.2
123.05502	1.6
126.06594	14.8
127.03902	1.4
132.04411	36.1
132.05441	1.2
134.05980	13.2
137.04643	2.8
140.08165	0.9
145.04924	0.8
146.02348	0.9
151.06099	13.0
158.06018	0.9
162.06613	0.9
163.03940	1.6
168.08789	4.3
181.04921	3.8
185.07013	0.9
187.41010	0.7
202.09720	20.4
216.11252	5.0
230.09193	13.4
231.12395	1.1
232.10710	7.0
242.09242	5.4
257.10281	7.5
258.02731	1.3
259.11829	100.0
260.12173	3.0
271.12561	0.6
277.12894	1.4
283.13358	0.7
284.11456	3.2
301.14090	7.3
302.12381	40.3
319.15195	0.8
362.18372	0.8
406.17151	13.3
448.19287	68.0
449.19608	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	448.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32434	3.3
55.05453	3.4
56.23658	3.8
57.07008	9.8
69.06955	4.4
71.08533	6.8
81.06941	5.0
85.10100	5.3
89.05947	10.3
92.10265	13.1
97.11105	4.1
99.05281	4.0
110.31959	3.5
111.00729	5.2
112.99965	4.4
123.88129	4.6
129.01781	100.0
139.00233	10.3
157.01299	30.2
185.08057	27.3
259.15366	9.7
273.09564	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	448.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92886	1.0
55.05443	5.0
56.15833	1.2
57.03364	2.0
57.07010	13.0
58.06522	1.6
65.64480	1.0
67.05422	9.4
69.06979	2.0
70.06509	22.0
70.76335	1.0
71.08544	2.7
76.04802	1.2
79.05405	2.6
81.06961	8.7
83.08555	1.4
88.07542	24.3
91.05422	6.1
93.06962	2.1
95.08527	7.5
97.06461	1.4
97.53070	1.0
102.09118	21.4
104.02502	1.6
105.06926	1.4
107.08502	1.5
109.06439	1.4
109.10111	1.3
112.99969	25.1
119.04886	2.6
132.02020	11.7
134.34059	1.1
136.01544	11.4
147.04385	45.2
147.05495	2.2
148.05177	4.7
149.02336	1.5
169.02582	12.7
175.03880	73.7
176.04599	2.2
180.04137	12.5
191.06931	1.2
193.05022	1.6
219.06493	100.0
220.06828	1.6
256.26297	50.4
318.65192	1.3
329.53250	1.5
337.27319	5.0
444.08902	1.5
448.24863	4.7
448.30499	76.2
449.30777	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	448.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60458	0.8
64.33748	0.9
67.05418	3.8
72.84853	0.9
87.76704	0.9
91.92931	0.8
93.06931	1.4
109.10116	6.4
119.08537	3.6
121.06458	14.8
122.07234	2.2
136.08830	15.8
137.09590	16.8
137.70187	1.1
149.09592	1.9
164.08307	27.5
165.09081	100.0
175.95135	1.0
205.12332	6.2
294.95789	0.9
387.54022	1.1
430.32074	1.4
430.38000	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37292	0.3
55.01817	0.4
55.05438	1.9
56.04963	0.4
56.96504	7.9
57.03360	1.8
58.65166	0.3
64.38260	0.3
65.03870	4.5
67.05420	2.1
69.03340	2.3
70.06506	4.7
71.01286	0.4
71.04885	0.4
72.08055	2.0
73.02814	0.8
75.09749	0.3
79.05386	0.4
81.03317	0.9
82.04109	1.7
82.74947	0.4
83.04898	3.5
84.04405	1.8
84.08067	2.8
84.95966	4.7
85.02831	7.0
86.09615	1.4
91.05405	0.8
93.03345	0.6
95.01250	2.6
95.04896	0.7
97.02818	0.7
97.06460	2.4
98.97506	1.9
99.04382	0.5
101.06002	0.4
102.97009	0.8
103.95101	0.3
105.07056	0.3
106.02844	0.5
106.82216	0.4
109.02844	0.5
110.03612	1.5
110.07102	2.3
111.04402	2.4
112.99089	0.5
113.02306	0.6
116.06982	0.4
116.98584	3.3
120.08113	0.5
120.98055	0.4
124.03884	1.9
125.05964	2.0
127.03862	0.5
128.98564	0.8
129.10234	0.6
131.00142	3.5
134.99629	2.9
136.07535	0.8
138.03099	1.5
140.04691	0.5
141.01839	3.0
142.02582	1.6
142.84537	0.4
143.00101	0.4
144.98094	0.4
145.73654	0.3
146.05971	0.5
146.99658	1.4
147.04301	0.5
149.01198	6.5
151.03851	2.3
153.00723	0.6
153.05424	1.4
157.01680	1.6
158.99620	0.6
161.01141	0.8
162.99071	0.9
167.02328	0.4
168.98018	0.8
171.06485	8.2
173.01199	0.5
175.02762	18.7
177.00676	0.8
181.04922	100.0
182.05238	1.6
185.07982	0.6
186.99104	7.0
189.00696	0.8
189.04256	0.6
191.02251	1.5
193.03804	18.7
205.00174	5.3
213.04248	0.5
217.03696	0.4
227.02182	0.7
231.05394	0.7
240.90709	0.4
243.01808	0.4
243.05223	0.4
245.03336	0.5
273.09818	0.7
273.13052	1.6
283.04712	0.5
301.05911	10.2
309.06461	0.7
319.06818	2.0
325.05817	2.1
343.07043	1.4
353.05438	0.9
357.08218	0.6
371.06580	4.4
389.07492	2.6
407.08408	0.7
434.72107	0.4
449.09799	0.8
449.16321	0.8
449.23041	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87981	0.2
53.03875	0.3
55.01797	0.5
55.05442	0.5
55.21446	0.2
56.96498	4.3
57.03354	0.9
59.58130	0.2
60.04440	0.2
62.05947	0.2
65.03860	4.3
66.97929	0.2
67.05424	2.3
69.03336	1.3
69.06933	0.2
70.06499	3.2
71.04889	0.2
72.08060	1.0
73.02813	1.1
79.05395	0.4
81.03320	0.3
82.00468	0.3
82.04108	1.6
83.04899	2.1
84.04416	1.3
84.08061	1.2
84.95946	2.4
85.02821	7.1
85.06441	0.2
86.09597	0.3
88.03896	0.2
91.05386	0.4
91.06309	0.2
93.03365	0.4
95.01257	2.4
95.04885	0.9
97.02799	0.5
97.06425	1.6
98.97523	1.0
101.02297	0.2
101.05929	0.3
102.96956	0.4
103.03873	0.3
108.02013	1.3
110.03592	2.4
110.07093	0.9
111.04394	2.4
112.99072	0.3
113.02290	1.0
116.98565	0.9
125.05939	2.0
128.98463	0.3
129.10229	0.5
131.00116	1.5
131.03391	0.4
134.99620	0.9
136.07527	0.4
138.03084	1.3
140.04701	0.4
141.01802	2.7
141.77344	0.2
142.02565	1.7
145.02850	0.3
146.99582	0.4
149.01173	2.6
151.03923	1.7
153.05405	0.9
157.01698	0.4
161.01204	0.4
162.99132	0.5
167.02200	0.4
170.99651	0.3
171.05095	0.4
171.06488	7.7
173.01187	0.8
175.02751	8.2
177.00612	0.5
177.05463	0.3
181.04912	100.0
182.05243	2.4
186.99129	3.7
189.00725	0.4
191.02197	0.4
193.03798	7.3
205.00133	2.0
217.03783	0.4
231.05148	0.4
257.06351	0.2
273.09604	0.9
273.12973	0.2
276.18585	0.2
301.05869	4.2
319.06891	0.4
325.05908	1.0
343.07013	0.2
353.05255	0.3
357.07999	0.9
370.92642	0.2
371.06357	1.2
389.07419	1.4
397.96848	0.2
407.08298	0.3
449.09625	0.8
449.16125	0.4
449.22736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	0.5
54.23384	0.2
54.81583	0.2
55.01807	0.3
56.04978	0.2
56.63117	0.2
56.96511	1.8
57.03361	1.2
58.68760	0.2
59.30915	0.2
60.36388	0.2
65.03871	4.7
67.05424	2.0
69.03349	1.3
70.06509	2.8
70.30565	0.2
71.01285	0.3
72.08060	1.1
73.02818	1.0
75.04384	0.2
79.05413	0.4
81.03332	0.3
82.04120	1.9
83.04887	0.3
84.04405	1.1
84.08066	1.1
84.95956	1.1
85.02833	6.8
86.09609	0.4
90.49243	0.2
91.05392	0.3
93.03339	0.8
93.06977	0.3
95.01254	3.4
95.04884	1.3
97.02803	0.5
97.06448	1.7
98.97485	0.3
101.02306	0.3
102.05470	0.3
102.97002	0.2
108.02052	0.9
110.03610	2.8
110.07130	1.0
111.04408	1.6
113.02296	1.0
119.04937	0.3
123.00809	0.3
125.05977	1.9
127.03853	0.3
129.10240	0.5
131.00130	0.5
131.03406	0.5
134.99606	0.3
136.07559	1.0
137.02228	0.2
138.03064	1.1
140.04646	0.4
141.01791	2.8
142.02623	1.7
149.01208	0.9
151.03851	0.8
153.05489	0.9
157.01717	0.3
166.02608	0.3
171.06491	7.9
175.02744	3.4
181.04927	100.0
182.05280	2.0
186.99142	1.9
187.00581	0.2
191.02335	0.4
193.03798	3.8
205.00194	1.3
206.71762	0.2
257.06522	0.4
273.09528	0.5
281.28540	0.2
301.05972	2.3
325.05850	0.3
357.08020	0.4
371.06433	0.5
431.30939	0.3
449.23428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	5.1
57.07019	51.7
65.03870	8.0
83.04903	100.0
87.96854	4.2
94.17751	5.1
98.84007	4.4
105.06936	5.7
133.06461	19.7
151.01567	12.3
163.01508	5.1
175.01508	10.1
186.71642	5.0
260.99249	7.4
337.02225	68.8
370.09140	5.1
373.17447	5.6
393.08551	85.1
433.84482	5.2
459.09134	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	449.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22927	0.1
56.25678	0.1
58.06532	4.5
59.07315	4.9
60.04454	1.1
70.06509	0.3
73.08259	0.2
76.60837	0.1
85.02817	0.2
89.34512	0.2
90.88752	0.1
97.10374	0.2
97.10996	0.2
106.04973	1.1
107.05278	0.2
118.08606	100.0
119.08958	1.6
156.04198	0.2
165.13043	0.2
186.16310	0.2
239.12927	0.2
296.53598	0.2
296.90933	0.2
297.41516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	0.3
55.05442	0.9
60.04457	3.3
65.43599	0.2
67.05453	0.4
69.03352	1.0
70.06508	100.0
71.06831	0.4
72.08064	8.9
72.60401	0.2
74.53518	0.2
75.69627	0.2
81.03313	0.5
84.04415	0.3
84.08094	0.4
85.02826	2.0
86.09642	1.6
87.00750	0.4
87.05528	1.8
88.03905	0.2
91.05415	0.4
97.02834	0.4
99.04404	0.2
106.28821	0.2
107.08562	0.2
109.02841	0.5
110.07126	0.3
114.09121	2.6
119.08595	0.2
120.08064	1.9
125.05969	0.5
127.03888	0.5
144.07999	0.2
153.05458	1.5
159.11255	6.2
166.08676	0.5
174.21111	0.2
175.03957	0.2
185.08067	1.5
187.10809	0.4
217.13226	0.5
222.38200	0.3
263.13840	27.3
264.14139	0.3
275.89325	0.3
308.50528	0.2
393.72055	0.2
448.29587	0.4
449.30975	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	449.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36735	0.8
53.03875	0.9
53.19125	0.9
55.05452	27.1
55.16852	0.8
57.03379	21.9
57.07013	6.8
58.71593	0.9
60.58585	1.2
67.05073	2.2
67.05428	49.8
69.06987	26.7
76.03533	1.1
79.05410	16.2
81.06501	2.4
81.06974	52.1
83.08553	9.9
85.06484	1.2
85.22654	1.1
85.78927	1.1
87.28967	1.2
91.05412	10.6
91.98945	1.1
92.64008	1.5
93.06969	12.9
95.04907	1.2
95.08533	35.4
97.06458	1.6
97.10104	5.1
98.98397	1.9
105.06973	7.3
107.08546	6.0
109.06499	1.5
109.10107	10.9
111.07947	1.1
111.69415	1.1
112.99965	100.0
115.66710	1.1
119.08560	5.3
121.10094	4.6
123.11674	4.7
131.01004	2.2
133.10130	5.6
135.11679	1.9
137.00000	1.5
137.13220	1.5
145.28935	1.2
147.11652	1.8
155.01013	2.0
163.14745	1.2
169.02568	39.5
175.32103	1.1
187.03645	2.0
196.08316	1.2
245.22562	2.3
263.23703	2.3
337.27304	63.1
338.27637	1.2
402.82306	1.1
418.48941	1.2
449.26373	1.5
455.86926	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62904	0.5
53.00240	0.9
53.72573	0.6
55.05220	0.8
55.05449	13.7
57.03374	10.1
57.07001	4.4
58.06529	0.8
65.03817	0.7
67.05071	1.1
67.05424	28.1
68.49843	0.6
69.06986	12.6
70.06516	7.3
71.08521	2.9
79.05417	7.1
81.06971	26.0
83.08532	6.7
84.19454	0.6
88.07557	5.4
91.05397	3.6
92.10873	0.7
93.06982	6.5
95.04871	0.8
95.08525	19.7
97.06451	1.0
97.10115	2.6
102.09113	4.0
103.09440	1.3
105.06964	3.2
107.08527	4.5
109.10114	7.0
112.99957	100.0
119.04881	1.3
119.08515	3.4
121.10078	1.4
123.11658	2.5
131.01015	1.5
132.02057	4.9
133.10075	3.6
135.11656	1.3
136.01529	1.7
138.43785	0.8
147.04372	8.2
147.11687	1.3
148.04762	1.0
169.02574	42.5
175.03853	15.8
176.04184	5.6
180.04121	3.3
181.04541	0.8
187.03658	1.0
189.16373	0.7
193.04980	0.8
219.06465	17.9
220.06813	7.9
245.22624	1.2
256.26309	7.5
257.26547	5.4
263.23560	5.9
337.27286	20.7
448.30502	8.7
449.31003	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	449.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82124	1.6
69.06980	14.2
79.05395	1.9
81.06982	4.2
86.09631	100.0
93.06992	1.8
94.83639	1.7
95.08511	3.4
108.65434	2.0
139.90265	1.8
146.29022	1.8
165.12743	4.4
291.22928	2.4
376.32117	15.8
404.31485	4.4
449.29501	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	449.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
67.84228	1.9
69.06982	8.6
71.08536	2.6
79.70885	2.0
81.06950	9.4
86.09627	100.0
93.06974	3.2
109.06450	4.2
109.28535	1.9
112.99918	3.1
165.12732	3.9
376.32062	17.7
404.31808	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	450.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	0.3
55.01811	0.4
57.03376	0.4
61.02831	0.2
61.75456	0.2
63.85937	0.2
65.03870	0.4
67.05459	0.2
68.99689	0.4
69.03345	1.7
70.06519	0.4
73.02844	0.2
75.04391	0.7
79.01788	0.2
81.03347	1.9
82.04123	0.2
84.08074	0.2
85.02827	4.6
87.00739	1.8
93.03371	0.3
95.01255	1.1
95.04900	0.4
97.02839	1.6
99.04382	1.0
105.01799	1.6
107.08498	0.2
109.02850	2.0
110.03606	8.2
111.04385	1.7
123.04366	1.0
124.03934	0.9
124.05138	0.3
125.05949	36.8
127.03860	3.7
128.68370	0.2
129.01788	0.3
137.05887	0.2
138.03073	0.2
139.03880	5.5
141.18964	0.2
142.06227	0.2
145.04950	1.0
153.05443	75.4
154.06226	26.4
155.03374	1.0
155.06978	1.1
156.04134	0.3
162.07719	0.2
164.75224	0.2
165.01859	0.3
167.07060	0.8
170.05707	4.9
178.06197	0.4
185.08054	100.0
186.08380	1.0
194.05798	0.3
209.08109	1.7
227.09047	1.3
227.11110	0.2
236.06686	0.3
251.09044	0.4
265.62723	0.2
275.08990	0.4
293.10028	1.2
299.05325	0.9
300.05804	1.8
325.06897	0.2
329.06354	0.3
330.06705	0.9
354.06738	0.4
365.29242	0.2
396.07904	0.3
397.10873	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	1.5
55.01789	0.8
56.04990	0.6
56.96493	0.8
57.03373	1.4
59.79612	0.7
61.02840	0.9
65.22256	0.6
67.05462	0.8
69.03347	15.3
69.06994	1.2
70.06499	1.2
72.08068	0.7
73.02839	1.1
77.38692	0.9
78.03361	8.3
80.04921	1.3
81.03340	15.4
83.04894	3.0
84.04429	13.6
85.02829	8.9
85.03944	0.8
85.04761	1.0
86.09618	3.3
87.05522	0.9
96.04427	7.3
97.02823	4.2
98.97552	0.8
99.04362	3.7
103.03879	0.8
104.33421	0.7
106.02856	47.7
107.09926	0.7
109.02817	6.4
110.02315	1.5
116.98546	0.9
124.03913	100.0
126.05463	7.3
127.03853	4.2
134.99603	0.8
135.65695	0.7
136.07520	0.7
138.05527	1.2
141.10204	3.2
144.16789	0.7
164.02296	2.8
167.06912	1.0
182.03271	1.7
218.07028	0.8
232.06004	1.1
246.14473	1.3
250.07001	5.7
268.08066	29.0
276.07471	3.8
291.40210	0.7
321.90616	0.8
450.15979	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	450.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33982	0.4
55.05432	0.8
56.04966	0.8
56.96024	0.4
56.96494	0.5
57.03363	0.8
61.02835	0.8
62.89635	0.5
67.05443	0.6
69.03336	3.8
70.06508	10.4
72.08051	2.7
73.02797	0.8
75.04379	0.7
76.02123	2.3
79.05427	0.6
79.88466	0.5
81.03322	2.4
81.06953	0.7
83.04898	2.4
84.04412	3.8
84.08054	3.9
85.02819	4.1
86.09617	3.9
87.00733	0.6
91.05372	1.1
92.10318	0.7
95.01251	1.1
95.04905	1.9
97.02815	3.0
98.06014	0.6
98.97507	0.6
99.04381	1.0
102.05476	0.8
105.03347	2.1
105.06915	0.7
107.08569	0.7
109.02831	1.0
109.10027	0.6
110.03609	10.2
110.07091	2.2
111.04390	2.1
113.07077	0.6
117.03365	0.8
119.04864	1.1
120.08033	1.2
120.82034	0.5
123.04367	2.5
124.03905	2.1
125.05953	41.5
125.09599	1.7
127.03874	5.6
129.10216	1.0
136.07544	2.5
139.03870	6.3
145.02779	1.1
145.04916	0.7
147.04395	0.9
149.02319	0.7
153.05440	86.8
154.06227	30.3
154.07521	0.6
155.03346	3.5
155.07002	0.7
155.08228	0.6
170.05684	17.1
177.05408	1.8
179.04814	0.9
185.08051	100.0
186.08344	1.0
215.07043	2.0
243.06412	0.8
271.05878	1.0
461.72034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81971	2.3
55.05449	6.4
57.07015	16.2
58.50320	2.6
69.06982	3.2
70.06498	29.7
71.08555	3.6
81.92861	3.4
83.04887	24.9
84.08047	4.5
88.07568	14.3
89.05961	13.8
93.07002	3.4
114.09132	13.0
117.00961	6.4
132.10159	5.4
147.02058	4.5
165.03104	13.9
175.01576	23.6
176.12819	17.1
220.15425	3.9
233.69644	3.3
240.62083	3.0
256.26321	7.0
300.28986	4.7
326.79370	3.1
331.12918	14.1
395.10068	5.2
450.37836	100.0
451.16318	7.5
451.38306	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	450.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57452	0.8
56.96493	4.5
57.07013	11.2
58.06526	5.2
70.06509	34.5
71.08539	2.2
72.08057	5.7
76.23336	1.0
84.08064	11.4
86.09628	13.3
88.07545	3.9
89.05943	8.2
100.07551	1.1
108.35264	1.1
109.42082	1.0
114.09126	8.6
123.39912	0.9
128.21994	1.0
140.03651	1.0
176.12788	7.9
190.14380	10.3
212.23705	5.4
238.25249	4.8
256.26306	2.0
309.23032	1.1
331.15955	1.8
344.31519	87.6
345.32013	2.4
349.16791	6.5
367.18011	6.6
385.18851	4.4
450.37805	100.0
451.38062	3.8
456.58212	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88131	2.5
55.05450	26.9
57.03097	4.1
57.03372	100.0
57.07012	97.4
67.05414	19.5
69.06974	23.0
71.08553	70.7
75.04392	70.8
79.05363	4.1
81.06969	42.3
81.89207	3.3
82.92099	3.2
83.08527	37.0
84.08899	3.0
85.10094	41.0
93.06963	5.7
95.08536	51.4
97.10075	13.7
107.08496	3.3
109.10088	23.4
111.07976	3.4
111.11655	5.5
123.11638	5.6
131.06992	15.9
267.26697	6.9
341.30447	54.5
415.34149	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37171	0.7
54.81799	0.7
57.07010	11.8
57.62273	0.7
58.06535	5.1
65.10770	0.8
66.05690	0.6
66.52005	0.6
67.05418	0.8
69.06988	1.0
70.06510	46.5
70.06895	1.6
71.04924	0.8
71.08545	5.1
72.08060	4.6
78.88977	0.8
84.08057	10.1
86.09612	8.9
88.07549	8.5
89.05952	5.8
93.06981	1.0
95.08539	1.0
97.69103	0.8
100.67912	0.8
102.09081	1.3
102.26772	0.7
114.09141	5.1
132.10155	12.9
146.11749	13.5
176.12776	1.3
179.27263	0.8
212.23686	4.1
234.16986	1.4
238.25285	4.0
240.26826	1.3
256.26331	7.9
300.28900	57.8
301.29175	1.6
344.31537	13.8
388.34119	17.1
450.37793	100.0
451.38190	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	451.112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66175	0.7
56.96501	33.3
57.03356	3.0
57.07011	8.0
58.07430	0.6
64.54657	0.7
68.41610	0.6
69.03333	0.7
70.06506	8.6
71.04888	1.4
72.08077	5.3
81.03336	1.1
83.39999	0.8
84.04394	3.1
84.08048	4.2
84.95952	19.0
85.02811	5.1
85.06475	7.7
86.09603	1.2
91.05382	0.6
95.98273	0.6
97.02800	1.0
97.96712	0.9
98.97507	16.4
102.96990	4.3
103.03890	1.5
109.02788	1.0
110.07101	1.5
110.97500	1.2
112.99088	8.0
115.97758	1.1
116.98569	13.4
120.08020	3.2
120.98083	0.9
127.03856	2.8
128.98558	5.7
129.10155	1.3
131.00125	24.5
133.01630	1.2
134.99622	11.4
140.98592	1.0
143.00137	2.8
144.98056	4.0
146.99574	5.7
149.01198	32.1
150.97003	1.1
153.00624	1.2
155.00250	1.0
158.99609	4.2
159.03239	2.8
159.10133	3.5
161.01176	7.2
162.99120	10.0
167.02220	6.8
168.98048	8.2
170.99641	2.9
173.01208	7.2
177.00818	7.1
177.04300	59.3
181.00137	1.4
186.99095	43.4
187.09669	2.7
189.00635	4.2
190.98662	0.9
191.02225	11.2
195.05365	100.0
196.05716	0.8
199.02782	1.0
201.00616	3.4
205.00168	30.2
207.01726	4.3
211.95111	0.8
213.06384	1.5
214.98584	1.0
215.05750	1.2
219.01704	11.8
219.05347	3.4
227.02167	1.0
231.01772	1.0
232.99567	1.6
233.06937	4.6
237.02768	7.3
237.06349	1.0
243.01836	5.1
245.03204	0.9
245.06998	1.1
251.07933	3.2
253.00089	0.8
261.02750	1.1
261.06415	1.5
271.01172	2.7
271.04404	0.7
275.08041	0.9
285.06305	1.3
289.02225	1.7
289.05710	2.5
303.07452	42.8
311.07904	6.0
321.08505	14.6
326.08984	0.9
327.07410	9.7
329.08908	1.1
345.08481	5.9
352.96490	0.8
355.06769	3.2
373.07974	18.0
387.09967	0.7
391.09003	17.3
409.10199	8.6
451.11005	8.9
466.52850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	0.9
54.38650	0.4
55.05450	0.8
56.04968	0.6
56.56026	0.4
56.96484	2.2
57.03362	2.1
57.86103	0.5
61.02847	2.6
65.03858	1.2
69.03349	6.4
70.06500	6.3
71.01269	0.6
72.08052	1.9
73.02824	1.2
74.05971	0.8
78.03369	4.4
78.80676	0.5
81.03333	6.8
83.04912	0.5
84.04411	2.6
84.08056	3.1
85.02343	0.9
85.02824	18.0
86.03172	2.0
86.09605	2.4
91.03841	0.6
91.05403	18.8
92.04920	0.6
92.05727	3.0
93.06947	0.7
94.06493	1.0
95.04939	0.8
96.04433	3.9
97.02820	8.5
97.06428	0.6
98.03152	0.5
99.04393	2.0
99.49175	0.5
106.02856	17.8
109.02834	4.0
110.07112	2.3
113.33321	0.6
115.41713	0.6
117.06931	0.7
120.04408	12.1
120.05209	0.9
122.05978	5.6
124.03905	40.6
127.03855	4.0
129.10179	0.9
134.99608	2.1
136.07530	1.1
137.05917	0.6
138.05458	2.8
140.07004	1.0
145.04935	3.4
147.04379	1.0
148.03906	45.6
149.01260	0.6
151.03882	3.4
152.04172	0.8
163.05948	0.8
166.04956	100.0
167.05293	0.8
170.99551	0.5
175.02673	0.9
181.04903	9.1
182.05286	4.9
183.05450	1.2
184.06013	46.4
186.98946	0.6
193.03830	0.9
198.42120	0.6
243.08667	0.7
250.06998	2.0
253.10457	0.6
268.08090	4.8
286.09119	8.4
407.14285	0.7
451.13300	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	451.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00357	5.9
52.67116	5.8
54.15594	6.0
54.81887	5.8
55.05437	11.3
56.33601	6.0
57.06999	34.3
60.90007	6.0
70.06492	9.8
71.04900	8.1
82.98879	9.0
83.04906	67.1
91.05372	8.4
114.09135	9.8
117.00976	12.2
147.01967	8.9
165.03101	17.3
175.01503	100.0
176.12755	17.3
216.69167	8.2
236.87286	7.6
265.07336	6.7
274.20581	7.7
296.85519	6.7
300.45053	7.5
331.12897	37.8
384.78271	7.4
395.09973	15.0
420.27106	8.7
440.89966	8.0
450.37881	51.5
451.16312	34.8
451.37839	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	5.7
56.96505	53.7
57.03378	1.2
57.07007	2.5
59.69268	0.5
64.32765	0.5
67.05415	2.6
69.06995	5.7
71.95174	6.4
72.95958	3.0
74.97517	2.6
78.85057	0.6
79.05403	1.4
81.06976	4.8
83.08542	2.1
84.51244	0.6
84.95947	2.3
86.97485	0.6
92.98577	1.2
93.06956	2.6
95.08543	4.2
96.06552	0.6
97.06459	0.8
97.10084	1.3
97.96719	0.8
98.97499	1.2
104.10674	0.5
107.08463	0.7
109.10115	1.4
110.97519	1.2
112.99976	21.1
115.97783	2.4
116.98611	4.1
121.10078	0.9
122.60458	0.5
123.01145	1.1
123.04385	0.8
128.98589	6.2
131.00140	0.8
133.98848	2.4
134.99623	3.9
135.11674	0.7
141.02249	1.0
146.99629	12.7
149.01193	5.0
151.99944	0.7
153.00677	0.7
155.03787	3.9
159.03125	0.7
161.01181	2.8
165.00685	5.7
167.02188	1.0
169.02583	12.1
169.05379	2.6
170.01135	1.0
171.03342	0.8
179.02194	2.6
189.04279	5.0
193.03862	0.8
203.05891	2.3
213.07886	0.8
217.07439	1.2
222.07806	0.8
223.08495	1.0
227.09479	1.1
234.33574	0.6
245.10526	4.1
257.10458	0.7
258.11395	0.7
277.11096	0.8
285.14127	0.7
297.13541	1.3
317.17828	100.0
318.18106	2.4
319.19318	2.4
335.18872	83.6
336.19250	1.4
339.28928	5.8
353.19904	3.3
358.20483	9.9
391.21478	15.2
457.58649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	4.9
56.96501	53.4
57.03374	1.5
57.07002	1.1
63.23745	0.6
67.05418	3.1
69.06986	5.3
71.95181	5.8
72.95956	1.5
74.97511	3.9
79.05413	1.4
81.06961	4.0
82.32911	0.9
83.08525	3.3
84.95950	1.0
92.10879	1.5
92.98562	0.8
93.06965	1.4
95.08537	3.9
97.10101	0.9
97.96744	1.3
98.97525	1.4
107.08550	0.8
110.97527	0.9
112.99957	17.5
113.03476	0.7
115.97783	2.7
116.98569	4.3
123.01081	0.8
123.04379	1.1
128.98572	4.3
131.00113	1.0
133.98846	1.3
134.99619	4.4
135.11615	0.9
137.02747	0.9
139.00449	0.7
141.02228	1.2
146.99620	16.4
149.01161	1.3
151.99980	0.9
153.00673	0.8
155.03778	5.1
159.85489	0.7
161.01164	3.6
165.00671	6.9
167.02286	0.9
169.02577	10.7
169.05241	1.0
175.02802	0.9
179.02289	1.1
189.04340	4.1
197.08388	0.8
203.05878	2.7
217.07452	1.5
227.09451	0.9
238.33318	0.8
245.10565	3.4
257.10562	1.3
275.81296	0.7
279.12695	1.5
297.13669	2.4
317.17795	100.0
318.18134	2.6
319.19675	1.0
321.62387	0.7
333.17276	1.1
335.18860	82.8
336.19250	2.8
339.28830	4.4
353.19833	3.2
358.20337	9.4
377.55356	0.8
391.21530	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	451.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01804	0.8
55.05451	29.9
57.03372	17.5
57.07011	11.3
59.85404	0.6
67.05430	17.1
69.06986	37.2
71.08536	5.1
79.05406	8.0
81.06969	18.5
83.08536	24.8
88.39590	0.6
91.05396	1.2
93.06982	12.2
94.30796	0.7
95.07971	0.9
95.08537	17.5
97.06431	1.6
97.10107	11.1
99.07978	0.8
107.08539	4.8
109.10119	8.2
111.07990	1.7
111.11654	1.0
112.99962	100.0
121.10098	7.6
123.11643	1.5
131.00987	1.6
135.11659	6.0
149.13217	1.5
161.87854	0.8
163.14732	0.9
169.02570	47.7
187.03616	1.0
247.24225	0.8
265.25204	3.3
289.58145	0.8
339.28857	57.4
340.29108	1.7
433.26938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43822	2.1
69.07002	4.0
71.93975	2.5
74.09639	5.3
81.06977	3.7
86.09627	21.2
92.10297	4.2
95.08501	3.3
107.08602	2.8
109.10075	3.3
129.05579	2.8
139.75885	3.5
153.51845	2.9
178.92534	3.1
200.76149	3.1
226.29773	3.2
451.31836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33534	1.1
67.05421	3.7
69.06995	15.8
81.06988	0.9
86.09631	100.0
89.05962	1.0
95.08558	1.6
101.82514	0.8
114.74204	0.9
138.59975	1.0
194.91020	0.7
281.76331	0.9
282.00745	0.9
348.32556	8.5
376.32291	1.5
446.44370	0.9
450.98148	0.9
451.32385	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05218	1.8
55.05452	23.5
56.04971	6.9
57.03370	3.8
60.04453	1.5
67.05415	2.1
67.06791	1.5
69.03355	17.7
70.06511	57.3
71.04908	3.0
72.08060	9.8
72.87753	1.5
76.53867	1.5
81.03322	9.0
82.06496	28.1
84.04422	11.9
84.08065	50.4
85.02833	29.9
86.09650	5.8
88.96210	1.5
91.05386	2.4
97.02850	12.2
98.97556	2.1
99.04372	18.0
100.07548	76.1
101.69276	1.6
103.03866	15.5
109.02821	8.5
110.05989	37.3
110.07121	7.0
113.07063	3.2
120.08079	3.0
121.06416	2.0
124.03909	7.1
127.03880	20.8
127.04716	2.6
128.07045	45.1
129.10162	3.5
130.08606	11.1
134.99657	1.9
143.03288	1.8
145.04898	2.1
146.08105	100.0
173.26903	1.8
181.08606	2.3
374.60190	1.7
384.59692	1.7
452.17542	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	452.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05223	1.8
55.05455	31.0
56.90486	1.5
57.03373	14.4
57.06992	8.5
58.55839	1.5
61.71222	1.6
67.05077	2.1
67.05431	63.3
67.80387	1.8
69.06693	1.6
69.06984	26.0
70.97611	1.7
79.05402	19.0
81.06508	3.3
81.06973	67.2
83.04925	1.8
83.08529	13.2
84.57742	1.6
91.05412	10.6
93.06971	16.1
95.08533	52.9
97.06464	2.3
97.10085	3.4
98.98396	100.0
105.06963	8.0
107.08504	11.0
109.10085	23.5
112.99963	8.9
116.99458	8.4
119.08530	12.5
121.10071	9.6
123.11661	4.4
132.20157	1.8
133.10048	3.9
137.13196	2.8
147.11668	2.4
149.13187	2.3
151.14735	2.1
155.01016	40.6
163.03801	2.4
167.34174	1.7
173.02127	3.9
207.06416	3.7
233.72041	1.9
238.28419	1.8
245.22641	4.4
263.23657	26.9
312.76749	1.9
337.27371	24.7
366.68082	2.6
417.23831	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	452.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	42.5
57.03358	13.0
57.06998	10.3
58.28358	2.0
62.05760	2.2
62.06020	35.7
64.79505	2.2
67.05430	35.8
69.06988	51.0
71.08543	4.6
78.46358	2.1
79.05399	15.0
81.06979	39.0
83.08533	32.8
91.05392	2.2
93.06954	15.2
95.08532	22.0
97.06475	5.0
97.10109	16.6
98.05941	2.8
98.98363	18.6
107.08537	10.3
109.10113	4.8
109.43174	2.4
111.08024	13.2
121.10070	21.1
125.09576	3.1
135.11646	12.4
142.02579	2.6
154.12234	4.0
155.01009	11.3
176.17320	2.7
205.64139	2.7
219.21039	4.9
237.22009	4.5
280.26315	19.2
311.25742	100.0
391.21805	3.5
434.26147	3.8
453.16541	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	452.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11651	2.5
55.05450	43.4
57.03361	12.3
57.07008	6.2
58.07685	2.1
60.47805	2.0
62.06012	35.4
67.05428	25.8
69.06986	57.5
71.08540	5.3
75.78410	2.3
79.05403	11.7
81.06968	28.0
83.08540	31.3
93.06960	14.5
95.08545	24.1
97.10086	12.2
97.28896	2.5
98.98368	22.6
107.08529	10.8
109.10094	11.5
112.85943	2.7
121.10090	17.0
124.01522	3.1
135.11633	4.6
155.01007	10.4
200.42155	3.3
202.07228	2.8
203.19647	2.6
234.33180	2.5
237.21997	4.2
280.26318	13.3
311.25757	100.0
361.18002	2.9
434.26364	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73288	8.4
56.96501	8.9
59.17418	9.6
65.23502	9.0
78.60134	9.0
90.03008	11.0
91.05382	8.9
109.10117	12.3
333.41672	12.1
453.10422	100.0
453.16971	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	0.9
55.05452	6.2
57.03365	1.5
57.07004	2.8
57.89079	0.7
61.02844	1.1
65.03864	1.2
67.05430	24.3
69.03345	7.6
69.06985	9.5
70.06508	7.4
71.04890	4.4
71.08540	1.1
72.08056	4.0
73.02817	1.1
78.88324	0.7
79.05403	3.1
81.03329	4.3
81.06504	1.6
81.06971	40.3
83.08535	5.6
84.04428	1.3
84.08053	1.9
85.02828	14.7
85.06468	40.0
85.10088	1.2
85.51573	0.8
86.09624	2.9
87.00758	6.9
91.05373	3.3
93.06982	1.6
95.08531	100.0
96.08869	0.8
97.02814	4.0
97.10115	1.0
99.04379	0.8
99.08022	10.3
105.01794	1.6
107.08527	1.0
109.02828	3.3
109.10101	36.4
110.07058	1.1
112.11189	1.1
113.09569	1.6
118.56915	0.9
119.04881	7.4
119.08472	0.8
127.03857	4.2
128.43904	0.7
138.22406	0.8
144.08070	3.6
145.04898	1.3
147.04393	23.9
148.04726	3.9
151.14789	13.9
163.03856	6.1
169.15836	35.1
187.16882	18.9
204.10173	6.6
205.10484	1.2
205.17964	6.6
306.41724	0.8
346.63495	0.8
389.58090	0.8
394.75076	0.7
408.20172	1.0
436.53867	0.9
453.21759	1.6
454.23169	3.7
475.98309	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66167	0.6
54.83034	0.8
55.05433	0.7
56.96243	1.4
56.96504	37.2
57.05774	0.8
57.07003	1.9
65.85665	0.7
67.05412	1.4
69.06996	0.9
71.08537	3.5
71.95151	1.8
72.08063	0.8
72.95945	1.5
74.97507	0.8
77.20908	0.7
83.08601	0.8
83.47266	0.8
86.74177	0.8
89.05943	2.0
91.20168	0.8
92.98604	1.3
95.08540	1.2
101.54864	0.8
109.10092	1.4
112.30101	0.8
112.99966	8.1
128.98531	2.0
133.98856	1.1
134.99648	1.0
135.22997	0.8
146.99661	5.7
149.01216	1.3
155.03746	1.1
161.01027	1.0
165.00696	1.8
167.02304	1.1
169.02599	3.9
239.09656	1.3
319.19376	22.9
337.20432	100.0
338.21140	1.1
341.30322	1.7
342.53415	0.8
355.21524	8.0
360.21814	8.7
393.23120	9.3
453.33218	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	453.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	1.0
56.69744	0.7
56.96503	40.9
57.07004	3.7
57.40559	0.6
58.28004	0.7
66.19143	0.6
68.19491	0.7
69.06993	1.1
70.12082	0.7
71.08559	2.9
71.95178	4.8
72.95947	0.7
74.97505	3.0
81.06991	1.2
84.95945	0.9
89.05933	1.6
92.98570	1.0
95.08517	1.5
97.10070	1.0
105.06977	0.7
109.10122	1.0
112.99947	5.3
116.98552	2.8
123.01161	1.1
128.98569	2.8
133.98834	0.8
134.99600	1.6
137.02704	0.8
141.02167	0.9
146.99588	6.4
148.55170	0.7
149.01205	3.0
155.03708	1.6
165.00684	3.8
169.02580	3.3
175.66121	0.8
179.02309	1.1
189.04411	1.0
210.60748	0.7
217.07219	0.7
257.10541	2.9
319.19324	27.4
321.21170	1.0
337.20428	100.0
338.20822	5.3
341.30386	1.3
355.21533	6.8
360.21869	6.3
393.22995	11.6
453.33365	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	453.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	3.1
56.96497	3.7
57.03372	2.2
57.07012	19.5
60.05537	1.5
61.01077	2.1
65.03854	7.6
67.01777	2.9
67.05426	100.0
68.04932	1.9
69.03332	2.7
69.06987	2.0
70.06509	38.0
71.04909	19.4
72.08067	7.1
81.03352	2.3
83.04907	2.4
83.17137	1.6
84.04425	4.2
84.08050	9.9
84.95962	2.9
85.02840	3.0
85.06464	44.5
86.09615	3.2
91.05403	2.1
92.10295	3.2
95.04899	30.1
96.29314	1.6
97.02833	2.0
98.05965	4.1
99.63535	1.7
101.49379	1.7
102.05428	1.7
104.54369	1.8
105.06944	2.1
110.05954	2.0
110.07124	3.9
113.05949	98.4
113.07098	6.3
115.08630	12.1
125.07097	2.7
128.31274	1.8
129.10179	4.0
130.04913	1.9
131.00119	2.6
134.99799	2.2
136.07497	1.7
167.11742	6.6
177.04266	3.8
186.99065	3.5
194.12836	16.6
195.05394	7.8
195.11299	27.6
205.00211	2.8
211.15529	6.6
212.13940	13.8
237.02831	1.8
238.11732	2.9
323.20676	39.5
324.19125	7.4
341.21707	14.5
435.25986	3.0
453.13602	2.6
453.26886	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	453.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	0.2
55.05452	19.7
57.07012	0.6
58.06541	0.2
62.52683	0.2
63.42931	0.2
67.05418	0.7
68.98377	0.1
69.06979	0.8
70.06496	1.4
78.76953	0.2
81.06971	0.8
82.06496	4.6
82.06950	0.3
83.04896	1.6
83.08542	17.0
83.15147	0.2
84.08070	1.3
85.06490	1.2
94.06493	0.2
95.08545	0.2
96.08047	0.3
97.06427	0.2
98.09626	2.2
100.07552	6.7
100.11189	100.0
101.11520	1.2
105.07002	0.2
110.06011	3.3
111.04391	8.5
112.07568	3.1
112.11182	1.1
117.13841	2.3
126.09127	2.6
127.08637	2.5
128.07037	6.5
135.11665	0.2
139.08636	4.1
140.07031	2.4
147.11647	0.7
149.13226	0.2
164.14305	0.8
166.15884	0.9
168.13785	0.6
174.85606	0.2
176.77235	0.1
178.00098	0.2
182.15373	33.3
183.15710	0.7
190.13133	0.2
192.13727	1.1
199.21547	0.2
203.85599	0.2
209.16461	27.8
210.14871	27.4
210.16556	1.3
211.15247	1.3
226.19092	8.2
227.17471	2.1
227.19440	0.3
228.15791	1.5
275.31308	0.2
308.26962	0.9
314.01657	0.2
326.27963	4.4
327.28629	0.2
335.24432	0.7
336.22784	3.9
337.23892	0.2
343.30930	0.2
417.32260	0.4
435.33209	13.7
436.33585	0.8
442.02032	0.2
447.97131	0.2
453.34283	72.2
454.34528	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	454.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07015	51.1
57.66054	4.0
58.37090	3.9
59.39520	4.5
60.41923	3.9
62.05999	27.9
66.10776	4.5
68.66152	4.5
69.06970	6.4
71.08530	33.5
75.67339	5.0
80.65674	4.3
81.06960	10.2
85.10107	20.8
91.68271	5.0
92.17142	4.9
95.08516	9.8
98.98375	6.6
177.28943	5.9
254.60075	5.4
282.27899	10.0
313.27319	100.0
330.62939	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	454.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33207	1.6
53.00263	1.3
55.05438	8.6
57.03371	19.9
57.06743	2.3
57.07013	58.8
62.53556	1.2
67.05416	9.8
69.06975	9.6
71.08548	36.8
74.57281	1.5
81.06977	11.9
83.08513	11.7
85.10108	18.4
85.31936	1.5
89.05934	2.4
95.08537	18.3
97.10109	2.8
100.15499	1.6
109.10113	7.3
110.87553	1.8
123.11671	2.4
152.31490	1.8
161.34282	1.6
187.39285	1.5
191.66727	1.8
202.87341	1.7
221.22583	1.6
230.57907	2.0
257.24878	1.8
270.50735	1.6
282.27795	3.5
313.27322	100.0
463.99332	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	454.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73895	1.2
54.55537	1.3
55.05456	1.8
55.35711	1.1
56.04952	1.2
56.17257	1.2
56.46090	1.3
57.07004	7.1
60.08098	25.5
67.05410	1.5
69.06977	1.3
71.07280	10.3
79.05412	2.3
81.06976	1.6
86.09633	76.8
95.08556	2.4
97.10139	1.7
98.98402	1.7
104.10680	100.0
109.10086	2.1
116.97495	1.3
124.99965	41.9
184.07326	94.3
271.22516	2.2
436.27890	2.9
454.28989	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	455.1157
Annotation	Neurodazine
Peak:m/z	Relative Intensity
53.57974	1.1
54.81422	1.5
73.88324	1.2
105.32360	1.5
112.89551	35.3
139.46255	1.5
175.60930	1.9
271.33990	1.7
276.88086	1.5
455.11526	100.0
456.11810	2.4
477.02475	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47963	1.5
53.03862	1.5
55.05449	6.2
56.96503	27.8
57.03365	2.0
67.05422	8.6
69.03331	7.2
70.06143	2.1
70.06509	38.1
71.04908	7.0
72.08060	4.0
78.99123	1.6
79.05400	2.0
81.03302	2.1
81.06976	15.3
84.04423	11.0
84.08083	12.3
85.02832	10.7
85.06462	8.9
86.09628	6.6
91.05412	8.2
93.06940	6.0
95.08524	7.0
97.02805	3.1
97.06463	2.2
98.97513	86.7
99.08018	2.1
105.07002	2.4
107.08540	2.5
107.83736	1.6
109.10098	9.9
110.07107	9.9
116.07058	1.9
116.97756	3.4
116.98569	100.0
119.08525	1.7
120.08095	2.3
123.11682	3.5
124.03944	2.3
125.09603	2.4
128.04147	1.7
129.10208	2.9
130.05005	1.8
134.99628	75.3
136.07607	2.1
140.00160	1.6
147.35785	2.0
151.11160	2.1
153.00656	15.0
158.01201	3.1
158.99606	13.1
164.93382	1.7
169.12242	4.0
177.00661	31.3
195.01723	3.0
208.99417	1.8
219.01572	2.3
223.06490	2.4
225.07921	2.7
241.07454	3.3
249.07892	3.7
265.07437	8.7
267.08978	8.7
275.22235	2.5
283.08441	7.3
285.10178	2.2
293.06863	9.3
309.10394	2.5
311.07886	14.3
329.08832	2.8
335.07944	16.0
353.08981	19.1
371.10016	9.8
377.08853	4.0
395.09903	11.2
433.02121	2.0
455.13455	3.3
456.19083	3.0
476.11182	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	455.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49711	1.5
54.43877	1.6
55.05452	7.3
57.07003	3.1
67.05434	20.9
69.06989	42.5
72.04419	3.3
76.56380	2.5
79.05411	27.0
81.06978	100.0
83.01250	16.5
88.02169	7.6
91.05399	4.0
93.06986	17.9
95.04979	2.0
95.08531	34.3
105.06936	8.2
107.04920	4.4
107.08543	17.6
107.09185	1.7
109.10098	10.5
119.08500	4.1
121.10085	10.5
123.11658	2.5
129.55759	2.0
131.97775	2.0
133.10103	2.5
135.04372	3.4
135.11674	4.1
139.07512	26.9
149.13260	2.3
161.13327	2.2
167.07007	41.7
173.13251	2.3
175.07330	2.2
179.41924	2.3
181.04892	11.5
189.09019	2.8
195.06490	4.5
205.08577	3.4
207.10167	8.4
455.31134	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	0.7
57.07001	0.6
57.13883	0.5
64.33071	0.5
67.05417	0.6
69.06992	2.8
79.05391	1.0
81.06974	4.9
83.01266	0.6
92.10242	2.9
93.06986	1.1
95.08519	3.8
105.06969	0.8
107.08587	0.8
109.10092	1.1
121.10068	0.7
124.79156	0.6
142.16302	0.6
167.07063	1.0
368.25388	0.6
455.33374	100.0
456.33868	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05056	0.7
52.54779	0.6
53.57106	0.7
55.05457	5.4
57.07008	6.2
62.80260	0.7
67.05427	12.1
69.06992	26.3
69.30509	0.7
70.06500	1.7
71.08560	1.2
73.58079	0.6
75.14292	0.7
77.00737	0.6
78.72898	0.7
79.05404	10.4
81.06975	100.0
82.07295	1.0
83.08524	1.5
83.33988	0.7
88.07548	3.3
90.20677	0.7
91.05374	3.1
93.06966	17.0
95.08537	35.7
97.10068	1.2
105.06979	4.6
107.08533	11.5
109.10102	13.9
112.42531	0.8
113.41067	0.7
119.08526	3.4
121.10095	11.1
123.11639	6.6
124.01878	0.7
124.94348	0.7
133.06471	1.3
133.10097	1.3
135.11632	7.3
137.13225	5.5
147.11641	1.6
149.06026	1.3
149.13187	6.4
149.27206	0.7
159.11684	0.9
163.14737	1.0
167.06987	21.8
177.16293	1.0
181.09927	0.8
187.11046	0.9
189.09076	1.3
191.06982	1.3
199.79628	0.8
200.20013	4.8
203.17906	1.6
205.08751	1.1
205.12192	1.0
207.10097	1.7
221.11722	1.0
221.13937	0.8
229.12306	0.9
233.11705	1.4
246.15115	0.8
259.24176	1.3
283.26239	6.9
456.43948	6.6
457.34491	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	457.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32612	5.4
56.96722	5.2
67.05421	7.8
69.03341	32.3
69.99291	4.8
78.04952	7.1
81.03319	8.0
81.06956	27.0
81.18572	6.1
85.02806	14.1
86.09619	12.4
91.05399	13.1
92.10240	13.1
93.06938	6.8
95.08525	27.0
100.28549	6.5
105.06954	11.7
107.08568	61.5
109.06454	27.8
109.10106	25.5
111.42797	6.1
121.10102	54.1
125.09498	9.7
133.10110	94.6
135.08028	9.0
137.09628	51.6
149.09529	12.3
149.13217	31.8
151.11145	100.0
163.14696	10.2
173.13162	12.9
189.91856	7.0
191.14249	73.9
209.15308	64.5
231.75908	6.6
433.65933	7.1
451.89923	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	457.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	3.6
55.94948	1.4
56.97896	1.1
58.65470	1.4
59.05330	1.4
67.03648	1.2
67.05419	1.3
68.10014	1.4
68.76479	1.2
69.03335	7.2
69.06969	2.5
74.13836	1.4
79.05396	8.0
81.06990	10.5
83.04916	1.5
85.02793	2.3
86.09585	2.1
88.68581	1.3
90.88123	1.5
91.05367	5.5
92.10923	6.6
93.06976	2.8
95.08525	2.7
100.11162	3.3
105.06953	6.6
107.04885	3.1
107.08521	21.8
109.06422	1.8
109.10104	8.2
110.42659	1.4
119.08505	2.6
121.06419	1.6
121.10079	14.7
122.07216	8.0
127.03901	2.1
131.08517	1.9
133.10086	100.0
134.10432	2.0
135.08017	10.9
137.09581	71.4
143.02031	1.4
145.67334	1.4
149.13220	6.9
154.08517	1.4
173.13217	3.4
191.14259	29.2
209.15314	2.2
297.26633	1.7
335.35764	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	457.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03859	2.3
55.05434	2.6
61.68646	1.8
64.63174	1.7
65.06078	1.9
67.05412	2.5
69.03349	19.4
69.06999	3.6
71.04872	2.0
79.05402	3.9
81.03336	15.7
81.06956	13.8
83.04856	3.3
85.02831	17.0
86.09598	3.5
87.00742	9.4
91.05388	9.1
93.06943	8.9
95.04852	2.0
95.08533	3.4
97.02190	1.9
97.02821	8.0
105.06944	10.3
107.04919	2.7
107.08531	28.2
109.02798	5.0
109.06452	11.6
109.10089	10.0
117.03313	2.7
117.07011	2.2
119.08521	4.4
121.09286	2.8
121.10089	28.7
122.07204	9.1
123.07967	3.7
127.03835	9.9
131.08496	4.0
133.10095	100.0
135.08005	9.7
137.09586	69.2
145.02850	4.9
149.09560	4.4
149.13200	13.3
151.11133	35.3
163.14932	2.4
163.87714	2.2
165.12737	23.0
173.13252	9.7
177.05460	8.4
178.25526	1.9
191.14272	30.3
209.15335	39.0
269.73236	2.2
332.04922	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72173	2.9
52.70410	2.9
55.05435	16.3
55.62988	3.3
57.06992	23.5
67.05437	27.7
69.06981	41.3
70.06490	19.5
71.08540	9.0
79.05391	18.1
81.06976	100.0
82.57459	3.3
88.02139	5.7
88.07538	24.2
91.05386	6.5
93.07001	28.9
95.08540	51.2
97.06449	4.7
101.86079	4.1
102.09081	4.8
103.21809	3.7
105.06948	21.1
107.08525	22.4
109.06464	7.0
109.10095	42.6
119.08545	8.7
121.06443	23.6
121.10068	16.1
123.11658	6.3
125.05921	5.8
127.07481	8.9
127.28446	3.5
129.06958	3.6
131.08455	3.4
135.11667	7.5
137.09613	5.7
139.07501	37.9
147.11690	4.2
149.09576	5.9
149.13249	6.4
163.14845	4.1
171.11662	4.1
175.98679	4.1
200.20085	39.8
205.12231	4.5
218.21150	4.0
239.47009	4.3
283.26279	43.5
284.26407	15.1
323.11465	3.8
439.31805	5.3
456.43753	25.2
457.34927	93.1
457.44446	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	457.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	20.0
57.07001	6.9
58.42711	2.4
58.92746	2.6
60.12901	2.5
67.05419	21.0
69.06992	35.8
70.06526	3.7
71.08561	3.8
71.19382	2.4
79.05405	17.4
81.06974	100.0
83.08554	3.6
88.11955	2.8
91.05388	10.7
93.06982	32.6
95.08530	57.2
105.06964	17.8
107.05010	2.6
107.08519	34.9
109.06455	6.7
109.10104	37.4
119.08559	11.0
121.06471	28.6
121.10075	23.2
123.11665	14.8
125.05980	3.9
127.07508	16.6
133.10121	11.6
133.32182	3.0
135.08025	4.8
135.11676	6.9
136.70476	2.8
137.05875	3.9
139.07506	48.4
145.10095	5.3
147.08067	5.0
149.13228	12.5
157.10126	4.0
159.11676	5.0
161.13190	3.7
163.14801	3.7
189.12746	4.3
193.12173	3.1
200.20079	5.7
207.13809	4.9
245.22694	3.1
283.26166	12.8
439.32443	4.5
456.43802	6.8
457.34845	76.2
457.44263	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	460.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	0.2
55.01799	0.5
57.03358	1.2
61.01078	22.6
69.03349	4.6
70.06505	1.0
73.02857	0.4
75.02615	11.0
81.03351	0.4
83.97378	0.2
85.02421	0.2
85.02831	3.9
86.09669	0.2
86.27210	0.2
94.03965	0.3
94.46449	0.2
94.94944	0.2
97.02824	7.3
99.04356	0.3
103.02100	2.7
115.03841	0.4
119.03524	1.2
127.03889	2.1
136.06157	100.0
137.04535	1.1
137.06570	0.4
139.03844	0.4
145.03165	6.4
145.04921	0.3
163.04189	6.8
177.05435	0.6
187.27600	0.3
202.97621	0.3
215.60252	0.3
259.39725	0.3
264.09711	0.3
298.09595	10.9
460.14841	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88351	0.3
55.01799	0.2
55.05452	6.2
55.81108	0.2
57.03356	0.2
57.05754	0.4
57.68096	0.2
59.11716	0.2
64.33574	0.2
69.03349	0.5
72.08070	100.0
73.08405	1.1
85.02827	1.7
89.17694	0.3
89.32761	0.2
94.64655	0.2
97.02837	0.4
113.90703	0.2
116.07093	0.2
118.08601	41.5
119.08934	0.5
127.03878	1.2
145.04976	0.5
195.56366	0.2
283.10025	0.3
291.67093	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	3.1
55.77600	1.1
56.04989	1.1
56.96492	1.5
57.03370	8.7
57.07011	16.2
58.06262	2.6
58.06533	53.5
59.07315	15.1
60.08100	12.4
66.30295	1.2
67.05423	5.0
69.06983	3.2
71.08556	10.8
74.56188	1.2
75.04398	2.8
81.06966	3.0
83.08546	1.6
85.02831	1.9
85.10117	2.9
87.04390	6.3
92.11047	1.4
95.08537	5.6
102.37116	1.3
105.05394	1.7
109.10108	2.1
131.07065	3.0
139.98283	1.5
144.10162	9.9
236.14871	100.0
237.15268	2.6
295.07849	1.4
442.35233	14.3
460.36276	83.0
461.36411	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	461.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81894	0.5
59.98404	0.4
61.88034	0.4
112.03699	4.6
112.76491	0.5
127.03856	0.4
150.49901	0.4
153.05183	3.8
171.06119	0.4
202.09290	0.6
220.10239	1.8
224.08897	3.8
242.09927	100.0
243.10286	0.8
260.09689	1.7
269.70319	0.5
343.77805	0.4
352.08487	0.5
385.80838	0.4
405.31851	0.4
461.19785	1.0
489.30273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3624
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
55.05470	35.3
55.05672	4.8
57.07014	46.7
67.05431	9.7
69.06986	51.6
71.08543	33.8
72.08065	26.4
79.05402	25.4
81.06981	70.7
83.08533	31.9
85.10130	17.4
91.05377	23.3
93.06982	49.7
95.08517	49.6
97.06454	5.9
97.10078	26.4
101.43711	4.7
105.06976	55.1
107.08560	29.4
109.10107	32.0
111.11657	7.5
117.06987	9.6
119.08513	10.4
121.06516	5.8
121.10081	10.5
123.08022	5.9
123.11654	7.8
129.06995	9.9
131.08510	27.4
133.10077	22.2
139.34845	5.0
141.06911	8.5
143.08556	28.4
145.10110	40.2
147.11659	9.2
149.13231	6.3
151.07492	6.2
155.08478	10.0
157.10115	31.1
159.11656	19.8
159.87675	5.7
169.10056	22.4
171.11647	31.9
173.09592	8.4
173.13268	5.9
183.11681	36.6
185.13232	33.6
187.14671	6.5
189.16228	6.4
191.10556	6.3
196.12473	5.8
197.13243	24.7
199.14771	24.6
199.76921	4.8
211.14851	10.6
213.16418	8.7
223.14844	5.8
225.16345	19.2
239.17876	20.7
257.18884	5.8
267.17346	8.8
271.17072	8.4
285.18329	8.8
379.33563	34.4
381.34930	9.2
397.34778	6.9
407.32858	20.6
425.34036	100.0
443.34891	6.7
461.26147	6.3
487.42807	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	462.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	2.7
55.01792	1.4
55.05444	0.7
56.04962	0.7
56.96480	0.7
57.03369	1.6
58.14114	0.6
59.04915	1.0
60.04466	0.6
63.17078	0.7
63.46788	0.6
64.15590	0.6
67.05424	1.6
69.03345	10.5
70.06509	9.0
70.98188	0.6
71.04895	1.2
72.08051	3.6
73.02831	0.8
76.02097	0.8
77.89176	0.7
79.05379	1.1
81.03323	7.5
81.06981	1.2
84.04408	3.2
84.08057	4.8
85.02833	16.3
86.09623	3.2
87.00749	8.7
87.04394	0.8
91.05395	6.7
93.06973	8.4
95.04887	1.7
95.08475	1.0
97.02823	12.9
99.04368	4.0
102.05451	1.2
105.01803	2.9
105.06982	8.5
107.04887	8.0
107.08537	29.6
109.02814	4.7
109.06454	2.9
109.10110	3.9
110.07110	1.4
112.11194	1.5
114.36755	0.7
115.03854	0.9
118.04288	0.7
119.04876	1.5
119.08523	3.8
120.08085	0.7
121.06418	3.6
123.02676	0.7
123.57446	0.8
127.03883	10.2
129.10196	1.6
131.08476	0.8
133.06392	0.8
133.10092	26.7
135.11656	26.7
136.11908	0.9
137.05904	2.5
137.09589	3.0
143.37567	0.8
145.02785	3.6
145.04892	1.4
147.04370	3.5
149.05934	0.9
151.03894	0.9
151.07539	0.7
151.11163	1.7
161.09584	15.4
163.07509	0.9
165.89841	0.8
177.05399	4.7
178.30910	0.8
179.10635	44.0
185.07985	1.0
191.07002	3.0
197.11693	100.0
198.12041	1.7
231.04951	1.2
248.12625	0.8
272.49335	0.7
445.16702	1.3
462.05005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00255	1.1
55.05446	2.1
57.03361	1.9
61.02835	2.0
63.44347	1.1
65.03839	1.1
67.05418	7.2
69.03347	15.2
69.06987	2.7
70.06498	7.8
71.04914	2.0
72.08051	1.6
74.00568	1.5
76.02134	2.7
79.05406	7.7
81.03323	4.6
81.06989	2.1
83.04914	5.5
83.05975	1.4
83.67975	1.3
84.04418	4.9
84.08051	6.1
85.02830	16.7
86.09619	1.4
87.04375	1.5
91.05399	8.4
93.06975	13.3
95.04900	18.3
95.08536	5.6
97.02813	7.3
97.06466	2.2
99.04377	1.9
105.06978	16.3
107.08524	7.4
109.06480	10.8
109.10098	1.9
110.07053	1.5
111.04373	11.7
111.08031	1.7
113.05961	5.5
117.06976	1.6
119.08538	27.5
121.02789	1.5
121.06457	12.0
121.10098	3.0
122.69941	1.5
123.04340	1.7
123.08047	13.4
127.03884	5.0
128.06206	1.3
129.06940	5.5
129.10229	1.6
131.08559	15.7
133.06442	5.0
133.10085	9.6
135.08035	26.2
137.05977	2.2
137.09569	2.6
139.03876	2.0
139.07495	1.7
141.06964	2.0
142.07785	1.6
143.08531	7.5
145.04935	1.6
145.06435	5.3
145.10129	12.3
147.08000	14.5
147.11665	4.9
149.09579	2.9
151.03928	2.1
151.07532	1.4
155.08542	1.8
156.09297	4.9
157.10127	9.7
158.07217	8.2
159.08011	12.9
159.11682	10.8
161.09598	10.0
162.02155	1.6
165.09059	10.0
167.08669	1.4
168.09320	2.1
169.10202	1.5
171.11630	5.3
172.08806	10.1
173.09563	8.3
173.13203	9.4
175.07510	19.1
175.11124	11.0
183.11641	6.2
185.09500	2.3
186.10388	3.1
187.11159	13.2
189.09004	7.1
189.12686	3.0
193.08575	2.0
196.08727	2.7
199.11139	10.8
201.12718	11.2
203.10600	9.9
211.11159	9.5
217.12157	5.9
219.13834	1.4
229.12201	9.6
247.13214	25.1
252.85239	1.4
265.14288	100.0
266.14642	1.8
276.91125	1.3
360.42099	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	2.0
55.01820	2.0
55.05443	3.2
56.96503	1.8
57.03384	2.0
58.34720	1.3
61.02835	2.0
67.05425	5.7
69.03345	17.2
69.06966	1.4
69.55634	1.5
70.06512	11.1
71.04895	5.5
72.08060	3.1
76.02122	2.4
79.05395	3.6
81.03334	5.8
81.06978	5.7
83.04874	3.1
84.04417	6.4
84.08067	3.3
85.02828	23.0
86.09615	2.6
88.03915	2.2
91.05399	9.1
92.10954	1.3
93.03330	1.8
93.06954	12.6
94.96326	1.4
95.04900	18.9
95.08510	3.5
97.02834	11.6
98.97515	2.9
99.04454	2.0
102.76569	1.7
105.06975	18.2
106.86169	1.7
107.04859	1.8
107.08527	7.0
109.06445	9.4
109.10123	2.2
110.07092	3.1
111.04376	14.6
113.05922	5.7
116.98552	6.2
117.07010	1.8
119.08536	22.5
121.02797	2.7
121.06460	12.6
121.10027	2.2
123.08002	10.1
123.22877	1.6
127.03865	5.9
129.06940	2.3
131.08516	12.6
133.10095	3.3
134.99634	2.8
135.08014	20.2
137.05896	2.7
137.09564	3.5
142.07616	1.7
143.08549	3.5
144.09300	2.2
145.02809	2.7
145.04852	1.7
145.06523	1.8
145.10114	9.4
147.04382	1.8
147.08008	13.2
147.11668	2.9
149.05934	2.6
149.09619	1.9
151.03906	2.1
153.05379	1.7
156.09323	2.2
157.10097	6.0
158.07230	3.6
158.99561	1.8
159.07996	11.1
159.11649	9.7
161.09563	7.1
163.07562	2.2
165.09077	8.5
169.09933	1.7
171.11688	3.3
172.08768	6.5
173.09567	7.7
173.13228	8.4
175.07500	19.2
175.11111	14.0
177.00674	2.1
177.05359	1.6
183.11635	2.2
185.09512	2.0
187.11122	9.3
189.09076	3.6
189.12686	3.8
193.10094	1.6
196.08783	1.5
199.11137	8.3
200.60947	1.5
201.12761	11.3
203.10648	11.2
205.12297	1.9
211.11115	6.7
217.12244	6.3
219.13705	2.8
229.12166	8.6
247.13213	23.3
265.14279	100.0
273.85135	1.4
298.23416	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	462.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07194	0.8
55.05451	2.4
57.07012	5.7
67.05430	6.3
69.06989	4.5
70.06499	9.5
71.04903	1.5
79.05418	2.0
81.06957	9.4
83.08560	1.2
84.08065	1.7
86.09624	1.5
89.05972	1.1
91.05367	1.1
93.06965	4.7
95.08530	15.5
95.14816	1.0
97.15454	1.1
105.06982	5.3
107.08516	8.5
109.10097	5.9
119.08566	2.1
121.10109	1.2
123.08023	12.8
123.11679	1.9
127.11134	1.1
131.08516	1.2
132.10175	3.6
133.10017	1.9
135.08076	2.2
135.11682	7.9
146.11725	4.6
147.11642	1.9
151.07518	100.0
163.07477	1.4
163.11206	1.0
176.12491	1.2
177.09103	1.1
189.09041	1.2
191.10614	10.6
203.17986	1.9
210.60197	0.9
221.58528	1.0
233.90341	1.2
346.69101	1.0
356.35153	14.6
400.37726	7.3
409.30930	4.3
427.32077	5.0
430.96118	1.1
462.41461	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1236
Annotation	Leucanthoside
Peak:m/z	Relative Intensity
52.90935	0.3
55.01809	1.3
56.78171	0.3
57.03362	1.6
58.85759	0.3
61.02825	0.3
62.42863	0.3
63.87318	0.4
68.99706	0.6
69.03333	0.5
70.06506	0.5
81.03345	0.8
85.02840	3.0
90.81621	0.3
91.05409	0.5
95.04878	0.4
97.02795	0.8
97.97136	0.3
103.03883	0.4
106.15482	0.4
109.02856	2.5
118.08569	0.3
119.04937	0.5
121.02805	1.7
124.03907	0.8
141.01787	1.9
145.02858	0.4
147.04417	0.4
149.02351	0.7
149.05975	3.9
151.03870	6.4
163.03854	1.6
165.00400	0.5
165.01790	11.9
167.03358	4.0
175.03836	1.9
177.01740	0.4
177.05438	0.6
183.02827	7.9
187.03906	0.4
191.03407	1.7
193.04927	0.7
195.02856	2.5
197.11751	0.4
205.04866	0.7
232.30367	0.3
233.04359	0.8
243.06471	1.7
254.05756	0.5
258.04913	0.4
259.05991	0.6
261.03867	0.7
268.07404	1.8
269.07965	0.5
270.05176	4.0
271.05972	3.6
282.05170	6.4
282.08356	0.6
285.07520	0.6
286.04675	2.3
286.07898	0.5
292.07294	1.3
295.06046	0.6
296.06744	11.9
296.09918	0.6
297.07559	4.5
298.04669	26.8
299.05338	2.0
300.06216	9.2
301.07004	4.7
308.06723	1.6
309.07471	1.6
310.04633	5.5
310.08310	5.3
311.05673	0.8
311.09055	5.5
312.06271	1.3
313.06995	100.0
314.07568	8.5
315.08344	0.6
320.06836	2.8
322.04285	0.4
323.05438	0.7
324.02600	1.0
324.06152	12.3
325.07025	7.7
325.10553	1.1
327.05081	0.5
327.08670	2.6
328.05698	19.3
335.09042	1.8
336.06168	2.2
337.06848	1.7
337.37567	0.4
338.04138	0.6
338.07809	9.6
339.04953	1.3
339.08551	16.1
340.08939	0.4
343.08060	66.1
344.08365	2.6
348.06271	2.9
351.08606	2.4
352.05573	1.5
353.06622	0.6
353.10117	17.0
353.14520	0.6
354.10458	0.6
363.08508	2.2
364.05710	3.0
365.06149	0.7
366.07153	0.9
367.08038	29.5
368.08429	0.5
376.05563	1.9
379.03149	0.4
379.08072	14.2
381.09622	2.5
391.08023	7.3
394.06775	1.6
397.09125	15.6
406.82034	0.4
409.03851	0.6
409.09070	14.0
427.10144	15.1
445.11288	12.4
462.30765	1.7
463.12387	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	463.3779
Annotation	alpha-Tocospiro B
Peak:m/z	Relative Intensity
53.03880	1.3
55.05447	14.1
56.69614	1.2
57.07010	35.0
57.92354	1.1
61.93077	1.4
67.05423	8.8
69.06991	33.1
69.19566	1.4
71.08549	22.1
71.20276	1.6
71.79230	1.3
79.05419	5.6
81.06970	20.9
83.08537	16.1
85.06379	1.4
85.10112	11.6
91.05411	2.0
93.06973	7.7
95.08532	13.2
97.06456	2.3
97.10093	8.6
99.04362	2.4
105.06964	6.8
107.08525	3.3
109.06465	12.2
109.10122	6.7
111.08006	2.5
111.11686	3.2
118.00658	1.4
119.08585	2.8
121.10115	2.9
123.08021	10.7
123.11674	1.7
125.05962	18.6
127.07532	16.9
131.08493	1.8
133.10175	1.4
135.08005	2.3
137.05934	8.7
137.09572	2.6
139.07515	100.0
144.53760	1.4
145.10081	1.4
149.05981	1.6
151.07507	6.7
159.11665	1.7
163.07518	2.5
164.02083	1.3
165.09038	2.7
172.19002	1.4
177.09120	11.9
177.92467	1.5
201.12605	1.4
223.71153	1.5
272.04279	1.4
301.28796	1.7
319.29803	2.3
347.33026	8.2
417.37051	8.6
445.36679	31.2
463.37689	37.5
464.37424	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	463.3776
Annotation	alpha-Tocospiro B
Peak:m/z	Relative Intensity
55.05441	18.4
57.07014	36.9
57.82495	2.0
61.27478	2.6
61.94817	2.2
63.09019	2.4
67.05415	4.0
69.06982	27.4
69.93855	2.7
71.08542	19.2
75.24577	2.3
81.06974	20.0
83.08531	13.7
85.10089	12.6
88.64128	3.0
92.10297	5.5
92.64307	3.3
93.06959	5.4
95.08525	17.6
97.06429	4.0
97.10099	13.3
107.08543	4.4
109.06468	11.2
111.11702	5.8
119.08519	3.8
121.10098	4.7
123.08026	12.7
125.05949	17.7
127.07514	25.0
127.70264	2.7
137.05939	4.4
137.09570	6.0
139.02686	2.9
139.06535	4.9
139.07523	100.0
151.07532	6.1
165.09018	3.6
166.45714	3.2
166.91411	2.7
174.20265	2.8
177.09044	14.8
319.30069	4.0
319.87344	2.7
417.37164	10.8
445.36682	31.3
463.37659	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42092	2.0
55.01803	3.5
55.05440	11.3
56.04965	3.0
56.96500	2.4
57.03360	5.2
58.99507	15.3
62.41736	2.1
63.02202	2.1
67.05424	12.6
69.03336	9.4
69.06982	4.1
70.06496	19.0
71.04897	2.4
71.08527	3.1
72.08069	4.0
74.00574	3.9
76.02142	100.0
76.03883	4.1
79.05400	16.0
81.03337	3.6
81.06957	3.5
82.56016	2.4
82.69499	2.0
83.04898	36.1
83.05989	2.8
84.04420	41.1
84.08073	3.1
85.02826	11.0
85.03959	8.0
86.09625	11.4
86.98983	3.8
87.10011	2.4
90.24181	2.0
91.05403	9.0
92.10274	2.5
93.06966	16.4
95.04873	4.1
95.08513	9.1
97.02821	3.5
97.06389	2.9
98.97515	3.1
102.05512	2.6
105.06996	3.8
106.02858	4.6
107.08551	4.2
109.02818	3.4
109.06490	3.7
116.01620	28.8
116.98548	4.1
118.08604	2.4
119.04885	2.6
119.08500	2.5
120.08047	2.9
121.10062	3.9
124.03883	15.1
130.04948	17.4
131.04549	3.2
131.08464	2.1
134.99609	2.0
135.28764	2.2
139.11151	70.7
142.03185	8.8
144.01074	13.7
151.03902	2.6
162.02151	46.0
170.02570	4.4
177.03284	11.9
179.04793	43.9
196.11478	4.0
209.07074	2.5
233.05861	13.8
268.08179	4.2
281.45026	2.2
286.48749	2.5
308.09003	42.8
309.43594	2.4
311.75293	2.1
356.60181	2.2
464.31732	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	464.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42092	2.0
55.01803	3.5
55.05440	11.3
56.04965	3.0
56.96500	2.4
57.03360	5.2
58.99507	15.3
62.41736	2.1
63.02202	2.1
67.05424	12.6
69.03336	9.4
69.06982	4.1
70.06496	19.0
71.04897	2.4
71.08527	3.1
72.08069	4.0
74.00574	3.9
76.02142	100.0
76.03883	4.1
79.05400	16.0
81.03337	3.6
81.06957	3.5
82.56016	2.4
82.69499	2.0
83.04898	36.1
83.05989	2.8
84.04420	41.1
84.08073	3.1
85.02826	11.0
85.03959	8.0
86.09625	11.4
86.98983	3.8
87.10011	2.4
90.24181	2.0
91.05403	9.0
92.10274	2.5
93.06966	16.4
95.04873	4.1
95.08513	9.1
97.02821	3.5
97.06389	2.9
98.97515	3.1
102.05512	2.6
105.06996	3.8
106.02858	4.6
107.08551	4.2
109.02818	3.4
109.06490	3.7
116.01620	28.8
116.98548	4.1
118.08604	2.4
119.04885	2.6
119.08500	2.5
120.08047	2.9
121.10062	3.9
124.03883	15.1
130.04948	17.4
131.04549	3.2
131.08464	2.1
134.99609	2.0
135.28764	2.2
139.11151	70.7
142.03185	8.8
144.01074	13.7
151.03902	2.6
162.02151	46.0
170.02570	4.4
177.03284	11.9
179.04793	43.9
196.11478	4.0
209.07074	2.5
233.05861	13.8
268.08179	4.2
281.45026	2.2
286.48749	2.5
308.09003	42.8
309.43594	2.4
311.75293	2.1
356.60181	2.2
464.31732	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	464.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23523	1.4
55.01804	2.8
55.05462	11.2
55.82334	1.2
56.04980	1.8
57.03357	7.4
57.07697	1.4
58.99518	14.3
61.01076	1.8
66.54280	1.4
67.05418	10.1
69.03326	5.6
69.06972	9.4
70.06512	18.2
71.04876	1.7
71.08527	7.2
72.08057	2.8
76.02141	100.0
76.03879	5.2
79.05392	15.5
80.04948	1.5
81.06967	3.4
83.04443	1.8
83.04898	37.8
83.05982	1.6
83.08522	2.1
84.04431	49.8
84.08060	3.6
85.02805	2.7
85.03938	10.6
86.09606	6.7
86.98960	6.8
88.02118	2.4
91.05393	5.8
92.01614	3.2
93.06965	12.2
95.08511	7.9
97.06462	3.0
99.07986	2.1
102.05434	2.1
103.05386	3.7
105.06941	1.8
106.02824	3.0
106.06479	2.5
109.02866	1.7
109.10065	2.1
110.07086	3.2
113.03455	3.5
113.04194	1.7
116.01623	32.6
120.08017	3.1
121.10077	3.4
121.78631	1.5
124.03896	6.5
127.03874	1.7
129.06502	2.0
129.10149	1.7
130.04955	30.1
131.04926	12.6
133.10220	1.7
138.12738	1.5
139.11157	64.5
139.12215	2.5
142.03239	12.0
144.01100	14.7
145.05968	2.3
162.02168	34.5
176.91396	1.9
177.03242	19.1
179.04813	40.5
185.03746	3.3
196.11475	9.8
233.05873	11.5
288.06561	2.5
299.14182	9.8
308.09061	40.1
342.41351	1.7
352.31738	1.6
417.01910	1.8
446.19717	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	464.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	1.8
55.01814	3.2
56.96492	0.3
57.03373	6.1
59.04952	0.4
59.70126	0.2
61.02560	0.5
61.02857	11.0
61.09229	0.2
63.83834	0.2
64.80396	0.2
67.05453	0.2
69.03349	17.9
69.06987	0.2
70.06508	3.2
71.01265	0.3
71.04903	2.8
72.08086	0.4
73.02830	3.6
79.05413	0.3
81.03341	7.3
83.01257	1.0
83.04930	0.2
84.04426	1.0
84.08076	0.5
85.02827	100.0
85.24580	0.2
86.03163	1.0
86.09626	1.7
87.04382	2.6
88.98585	0.2
91.03882	4.7
91.05402	0.4
95.04887	0.3
97.02825	24.7
99.04378	4.1
101.02323	0.5
103.03860	0.5
105.03321	2.0
105.06979	6.2
106.02931	0.3
109.02836	9.3
110.07111	0.5
115.03893	1.2
116.98614	0.3
117.03378	0.3
117.06863	0.2
118.29873	0.2
119.08511	0.8
120.08085	0.4
122.17556	0.2
124.03903	0.3
124.60107	0.2
127.03870	20.9
129.10185	0.4
130.06511	0.3
142.12454	0.2
145.03001	1.0
145.04938	28.7
147.08028	0.4
163.05983	10.0
177.05438	1.0
201.09218	0.3
231.10101	0.5
249.11201	0.3
267.08585	0.3
279.06619	0.3
285.13336	2.8
325.11365	1.3
350.38257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02597	4.5
54.49549	4.7
55.05446	33.1
57.03376	10.1
57.07002	5.1
57.64326	4.7
61.72414	4.4
62.06013	30.1
64.33176	6.2
67.05421	66.3
69.06987	30.9
72.38044	5.0
79.05416	10.0
81.06976	51.9
83.08518	9.9
87.76711	4.6
91.05405	9.3
91.58825	5.4
93.06965	27.4
95.08552	33.0
98.98414	10.4
105.06954	8.4
109.10093	24.1
109.46227	6.0
119.08521	9.3
120.90599	5.4
175.03781	6.2
219.06593	9.0
323.25668	100.0
324.21481	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	466.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96494	34.0
67.05425	4.0
69.03350	14.2
69.06986	3.2
70.06507	46.2
71.04896	3.4
72.08063	5.7
73.15163	3.1
73.38860	3.2
76.57269	3.8
81.03342	4.3
81.06966	3.3
84.04431	13.4
84.08063	13.7
85.02837	16.2
85.06473	3.6
86.09637	16.4
87.00140	3.1
91.05388	4.2
93.06935	3.6
97.02811	4.2
98.97507	100.0
100.07514	6.0
101.05460	2.9
103.03895	3.4
106.02869	4.8
109.02798	3.1
110.07119	5.5
116.98573	98.8
119.08617	3.0
120.08022	7.6
121.69303	3.1
124.03926	5.7
128.98558	4.5
129.10228	6.9
129.60374	3.2
134.99632	77.7
136.03029	2.9
136.07344	3.3
137.05974	5.2
146.99661	5.4
147.04408	5.9
153.00729	12.5
161.01118	3.7
165.00708	3.2
170.74133	2.9
191.06998	6.7
204.03284	3.4
216.03268	49.4
218.04831	31.4
219.01669	4.4
234.04337	92.0
236.05783	24.1
237.02814	17.9
242.04826	16.1
246.04335	6.6
250.04102	4.1
253.13408	4.7
258.04245	35.1
260.05820	36.1
262.03772	37.8
264.05487	11.8
276.05307	13.7
278.07028	6.3
280.04852	35.9
286.03824	4.4
304.04816	57.8
304.07901	5.5
322.05869	19.9
323.53107	3.9
346.05923	12.9
359.07230	3.3
406.07870	27.2
424.09055	53.2
446.73358	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	466.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02310	1.0
53.03879	3.2
54.81876	0.6
55.01809	0.7
55.05460	0.7
56.04965	0.8
56.96496	0.7
57.03359	0.9
58.75210	0.5
60.04438	1.4
65.03641	0.4
65.03865	7.1
67.05419	3.5
69.03354	5.5
70.06509	13.1
71.04915	0.7
72.08059	2.9
73.02835	0.5
78.03372	8.4
79.05392	1.3
80.04933	1.2
81.03333	11.2
81.06965	0.6
82.04099	0.8
83.06011	0.6
84.04422	2.3
84.08068	8.1
84.81092	0.5
85.02831	9.8
85.06454	0.8
86.09617	3.5
91.05374	1.3
95.04901	5.0
95.06004	0.5
96.04424	7.4
97.02840	5.3
97.06443	1.2
99.04357	1.0
106.02854	32.1
107.04884	0.8
108.02019	0.7
108.95764	0.6
109.02840	4.8
110.03616	3.2
110.07101	3.0
111.04375	4.2
116.98501	0.7
117.99551	0.6
119.04864	0.7
120.08015	1.0
121.02898	0.7
123.04362	1.4
124.03912	57.9
125.02304	1.4
125.05926	1.5
127.03844	2.2
129.10181	2.1
134.99532	0.7
138.03096	1.0
140.04645	12.8
141.05249	0.7
142.02629	1.1
153.05408	0.8
155.06990	3.1
166.04956	1.4
171.06458	7.7
177.05370	0.6
181.04916	100.0
182.05211	1.1
205.47397	0.7
250.07108	7.5
268.08072	14.8
466.12927	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	466.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03864	0.2
55.01799	0.3
55.05443	0.2
55.36969	0.1
55.98540	0.1
56.04961	0.2
56.96497	0.2
57.03359	0.3
60.04435	0.2
65.03868	2.3
67.05434	1.5
69.03333	0.9
70.06503	2.1
71.01268	0.1
71.04906	0.2
72.08040	0.2
73.02818	0.6
82.04109	1.0
83.04921	0.2
84.04440	0.6
84.08058	0.8
85.02831	4.5
86.09626	0.2
90.46760	0.1
91.05396	0.2
93.03341	0.3
95.01251	1.9
95.04893	0.9
95.87849	0.2
97.02814	0.7
97.06466	1.1
98.97543	0.2
101.02319	0.2
106.02824	0.2
108.02023	0.3
110.03627	1.8
110.07085	0.3
111.04415	1.3
113.02299	0.5
115.03847	0.2
116.98539	0.2
123.00749	0.2
124.03939	0.3
125.05935	1.3
127.03836	0.2
131.03352	0.3
138.03105	0.7
140.04677	0.3
141.01808	2.1
142.02576	1.7
151.03865	0.3
153.05411	0.6
159.02849	0.2
170.02057	0.2
171.06491	7.2
181.04922	100.0
182.05258	3.2
195.31752	0.2
255.08527	0.2
273.09665	3.5
334.26321	0.1
357.08075	1.1
366.21371	0.2
405.93967	0.1
429.31241	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	466.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77837	0.8
53.03881	1.5
55.01802	3.7
55.27257	0.8
55.74748	0.7
56.96469	1.0
57.03374	7.3
61.02856	11.0
63.04390	0.8
65.03860	0.9
69.03349	21.4
70.06499	2.0
71.04903	1.9
72.08064	11.7
73.02815	4.2
81.03323	9.5
83.06020	1.1
84.04408	1.3
85.02827	100.0
87.04393	1.8
91.03870	5.6
91.05393	1.3
93.09556	0.8
95.04862	1.2
97.02217	1.7
97.02821	27.6
98.97511	1.6
99.04383	4.1
101.07090	3.1
107.04890	5.6
109.02810	6.7
110.03588	0.9
110.07114	1.3
116.42278	0.8
119.04864	1.1
123.04386	1.9
125.05977	6.9
125.77736	0.9
127.03873	20.5
127.98669	1.0
129.10202	15.2
136.07568	9.8
140.74603	0.9
145.04945	24.7
155.11664	1.0
157.09706	5.2
161.05988	1.0
163.05992	9.5
163.07359	1.1
165.05418	4.2
171.06454	1.5
181.04922	29.0
182.08093	4.7
214.11842	5.0
216.11311	4.0
249.15622	1.7
249.48006	1.0
257.15918	4.2
285.15485	1.3
322.87943	0.9
385.73706	0.8
402.97031	0.9
473.24350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77837	0.8
53.03881	1.5
55.01802	3.7
55.27257	0.8
55.74748	0.7
56.96469	1.0
57.03374	7.3
61.02856	11.0
63.04390	0.8
65.03860	0.9
69.03349	21.4
70.06499	2.0
71.04903	1.9
72.08064	11.7
73.02815	4.2
81.03323	9.5
83.06020	1.1
84.04408	1.3
85.02827	100.0
87.04393	1.8
91.03870	5.6
91.05393	1.3
93.09556	0.8
95.04862	1.2
97.02217	1.7
97.02821	27.6
98.97511	1.6
99.04383	4.1
101.07090	3.1
107.04890	5.6
109.02810	6.7
110.03588	0.9
110.07114	1.3
116.42278	0.8
119.04864	1.1
123.04386	1.9
125.05977	6.9
125.77736	0.9
127.03873	20.5
127.98669	1.0
129.10202	15.2
136.07568	9.8
140.74603	0.9
145.04945	24.7
155.11664	1.0
157.09706	5.2
161.05988	1.0
163.05992	9.5
163.07359	1.1
165.05418	4.2
171.06454	1.5
181.04922	29.0
182.08093	4.7
214.11842	5.0
216.11311	4.0
249.15622	1.7
249.48006	1.0
257.15918	4.2
285.15485	1.3
322.87943	0.9
385.73706	0.8
402.97031	0.9
473.24350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46140	2.6
57.03365	14.9
69.03352	6.4
69.28941	2.5
70.06493	7.0
71.04543	4.6
71.04909	90.1
71.56295	2.9
83.04892	4.8
84.72874	2.4
84.82356	2.7
85.02337	4.8
85.02822	100.0
86.09635	4.6
90.94734	4.2
97.02795	3.6
109.02791	9.9
116.07066	5.3
129.05432	24.0
141.05476	6.6
147.06508	5.1
159.43169	2.7
164.09100	3.9
174.75487	2.9
199.62094	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	466.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	4.5
56.04972	0.9
57.03387	0.9
57.07013	2.3
58.06532	2.0
58.52642	0.4
60.08092	24.1
67.05437	1.0
67.99242	0.4
69.06982	5.3
70.06512	2.8
71.07285	8.4
79.05388	0.9
79.62904	0.4
81.06980	0.7
83.08532	1.9
86.09623	75.9
88.07552	3.5
92.10914	0.8
93.06995	0.8
95.08534	1.0
97.06496	0.5
97.10101	0.5
97.65109	0.5
98.98396	6.3
100.13110	0.5
102.09124	2.4
104.10674	100.0
105.10998	0.7
107.08534	0.9
121.10086	0.9
124.99958	41.1
125.82897	0.4
135.11687	0.6
143.01010	0.8
149.02309	10.9
184.07297	90.2
193.04916	9.8
237.07513	8.0
256.26349	6.2
280.18689	0.5
283.22540	2.3
448.28134	7.3
466.29089	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	466.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68773	0.7
53.03891	1.2
55.01825	1.1
55.05185	1.3
55.05452	33.4
57.03375	25.2
57.07012	11.2
59.60938	0.8
64.33665	0.8
65.03854	1.5
67.05429	67.3
69.06986	39.1
69.07341	1.9
71.08533	4.3
75.78137	0.8
79.05406	16.7
79.18832	0.8
81.06973	67.5
83.04899	1.9
83.08537	14.3
85.06442	0.9
85.10096	1.6
91.05414	12.4
93.06979	15.6
95.08531	49.2
97.06468	3.9
97.10094	5.6
98.98389	7.2
105.06995	6.6
107.08544	8.3
109.10109	16.0
111.08014	1.1
112.99963	69.9
119.08531	5.6
121.10094	5.3
123.11649	4.5
131.01041	1.1
133.10120	5.2
135.11647	3.8
137.13245	1.9
147.11671	1.5
149.13249	1.1
155.01001	3.7
161.13246	1.3
163.14737	1.3
169.02579	25.3
184.37399	0.9
195.65886	0.8
211.72824	0.9
221.19177	1.0
235.29485	1.1
245.22665	1.3
263.23666	4.4
272.63983	0.9
313.27240	7.5
323.81665	0.9
337.27301	100.0
338.27689	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	466.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08625	0.8
55.01807	0.9
55.05450	1.7
55.68991	0.7
57.03384	1.1
57.43372	0.7
58.06532	0.9
58.75860	0.7
60.08097	23.3
60.72422	0.8
62.96749	0.8
67.05424	4.3
69.06987	2.0
70.44479	0.8
71.07285	9.1
79.05392	1.9
81.06969	3.6
81.96953	0.8
86.09628	76.9
93.06963	3.3
95.08534	1.3
97.06464	1.6
98.98386	6.1
104.10680	100.0
107.08519	1.8
121.10088	1.1
124.99962	47.0
135.11536	1.0
149.02312	1.7
154.53946	0.9
167.42917	1.0
168.34232	0.9
184.07309	96.6
193.04961	4.3
266.51468	0.8
448.28040	6.7
466.29214	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	0.9
55.05445	11.5
57.03378	8.7
57.07004	4.4
62.05999	1.7
63.26984	0.7
67.05083	1.0
67.05425	29.4
69.06633	1.1
69.06987	12.6
71.08532	1.1
79.05405	7.7
81.06516	1.0
81.06973	25.4
83.08542	7.5
84.41287	0.8
87.73946	0.8
91.05386	4.9
93.06966	6.9
95.08532	20.5
97.10090	1.7
105.06963	3.8
107.08531	3.8
109.10097	6.1
112.99960	100.0
119.08511	1.8
121.10101	1.5
123.11648	3.2
124.86003	0.8
125.57243	0.7
131.01030	1.9
132.50766	0.8
133.10097	1.7
135.11703	1.6
137.13258	1.0
137.60667	0.9
147.11638	1.0
169.02580	57.2
175.14670	0.8
187.03625	1.4
245.22626	2.0
254.95110	6.5
255.95174	1.5
256.95053	2.9
263.23611	5.7
292.96671	1.9
293.96692	0.9
310.24194	0.9
313.27209	1.0
337.27292	27.6
455.22375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39016	0.3
51.50043	0.3
55.05448	0.5
56.04970	0.5
64.19576	0.4
64.72131	0.4
67.93881	0.4
68.04954	0.5
69.03352	0.6
70.06509	100.0
71.06834	0.5
72.08067	0.9
73.31505	0.4
81.03333	0.7
83.06021	0.5
84.04434	2.1
84.08068	2.9
85.02836	2.4
86.06001	0.8
86.09621	0.7
93.04472	0.4
97.02841	0.5
98.97495	0.5
101.07118	0.5
109.02837	0.5
110.07111	1.9
112.08676	19.6
117.03326	1.1
118.47850	0.4
118.48768	0.5
121.06424	0.4
124.03906	0.6
125.62225	0.5
129.10233	0.8
136.07565	0.9
145.02768	4.2
149.06010	0.5
153.05452	0.6
159.11180	0.5
177.05421	4.1
181.04930	8.0
182.05281	3.9
264.83121	0.4
307.64417	0.5
343.14532	0.5
467.21216	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	467.3
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60668	1.7
53.03873	4.1
55.05447	12.8
57.07006	5.2
57.94598	1.9
67.03744	2.1
67.05418	15.5
69.03347	4.1
69.06988	31.2
71.04883	3.1
71.63692	1.9
79.05392	14.3
79.33569	2.6
81.06979	41.9
83.08543	5.7
83.40215	2.1
85.02831	10.2
91.05403	9.5
93.06973	23.5
95.04892	33.8
95.08538	21.9
97.06446	13.6
97.10078	4.7
99.04396	3.8
103.03843	12.7
105.06976	9.5
107.08535	13.3
109.02836	18.1
109.06468	100.0
109.10085	12.9
111.08026	3.8
119.08545	4.6
121.10097	13.5
123.08002	3.7
123.11647	4.2
125.09576	2.8
127.03926	5.0
127.07497	4.9
133.10135	7.6
135.11609	2.7
137.09598	2.7
149.13231	3.3
153.18704	2.3
160.36002	2.4
162.26617	2.3
209.18936	4.0
231.26750	2.2
305.24701	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	467.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07010	0.6
63.54137	0.7
69.06972	0.6
71.08524	1.0
81.06940	0.8
91.64311	0.7
140.76630	0.8
207.06247	31.7
207.08107	1.4
448.22366	0.7
460.39160	0.7
467.31140	100.0
468.31598	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	467.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48402	0.3
54.82000	0.3
55.05451	1.5
57.07015	0.7
65.03860	0.3
67.05428	7.2
69.06981	2.0
79.05408	1.6
81.06976	6.9
83.08523	0.6
89.05952	0.6
91.05405	1.8
93.06981	1.6
93.97160	0.3
95.08540	4.8
105.07004	0.7
107.08527	0.6
109.10114	1.9
115.05419	1.9
117.05704	1.4
117.06982	0.5
118.06493	19.8
119.06834	0.4
119.08517	0.3
121.10070	0.3
130.06491	13.0
132.08054	23.5
133.08423	0.6
133.10124	0.5
142.06496	4.9
143.07289	2.4
144.04404	0.7
144.08060	18.3
146.05986	85.0
147.06323	2.1
159.09146	47.8
160.07544	4.1
160.09454	1.3
169.07574	1.2
170.05988	10.5
175.58142	0.4
182.05954	0.3
182.97940	0.3
187.08698	1.4
188.07030	100.0
189.07391	2.8
205.09689	23.8
206.09898	1.1
317.76401	0.3
421.32117	5.6
449.31464	0.4
467.32407	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05431	0.4
58.06521	1.2
59.29446	0.2
61.18684	0.2
61.40577	0.2
62.52657	0.2
63.02297	0.4
65.03832	0.5
66.59853	0.3
67.05419	0.5
69.03310	0.3
69.06959	0.3
70.06490	1.6
72.08070	11.6
75.09155	0.5
79.05377	0.3
81.06954	0.7
84.04420	0.3
84.08063	3.5
85.02814	0.4
86.09610	0.5
89.03841	4.1
91.05400	9.4
93.07004	0.3
112.11199	5.6
117.03329	16.4
119.04895	25.0
129.10201	0.3
129.13818	2.4
134.03580	1.1
135.04385	1.5
136.07523	0.4
145.02824	60.3
146.03163	1.1
146.16505	1.9
147.04387	100.0
148.04718	1.9
149.05959	6.4
149.13222	0.4
155.11746	1.3
161.14511	0.3
163.03835	0.4
172.14424	0.4
177.05437	78.2
178.05775	0.6
180.94223	0.3
185.15363	0.3
186.05562	0.4
203.11781	0.4
204.10173	41.1
205.10532	0.5
221.12825	0.4
233.12772	0.3
234.11195	3.3
248.12758	8.9
275.17441	2.0
292.20096	3.6
304.20242	1.1
305.18484	2.1
322.21222	7.6
450.24078	0.6
451.22263	9.4
452.22275	0.5
468.24860	52.1
469.25024	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	468.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03262	0.8
53.51064	0.9
56.04963	0.9
57.07008	6.0
60.08098	20.4
71.07299	8.8
71.08559	2.1
75.02686	0.9
81.06984	1.1
85.10091	1.1
86.09628	72.7
92.08253	0.9
95.08513	2.0
98.98376	5.8
104.10680	100.0
124.99966	40.1
147.39828	1.1
184.07303	95.6
222.60133	1.0
285.23935	1.4
397.85114	1.2
450.29825	8.1
455.38138	1.0
468.30743	31.0
469.31210	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77101	0.6
51.33265	0.6
54.82280	0.7
55.05453	1.4
56.04975	1.3
57.03365	1.0
57.07010	5.3
58.03865	0.6
58.06533	100.0
67.05443	1.3
69.06950	1.0
71.08543	5.3
76.07555	1.6
81.06962	3.8
83.08536	0.9
85.71971	0.7
89.05963	1.2
92.65399	0.8
93.24944	0.7
95.08540	3.4
109.10137	1.0
112.99953	3.6
122.16563	0.8
123.11610	0.7
209.15695	0.7
212.06445	0.7
238.85988	0.8
313.27316	18.0
348.14099	0.9
450.29599	1.3
468.30698	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	468.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16463	0.6
57.07014	1.4
60.08086	10.5
66.74765	0.6
67.05425	0.8
70.39323	0.8
70.45346	0.6
71.07280	3.0
71.25882	0.6
81.06969	1.3
86.09627	48.3
89.05959	1.1
95.08507	1.1
98.98389	4.4
104.10671	4.0
109.10071	0.9
116.99627	0.7
124.99961	35.3
184.07301	100.0
325.96094	0.7
440.95883	0.7
468.30914	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	468.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61099	0.7
53.00243	1.0
55.05451	36.3
57.03131	1.3
57.03373	22.8
57.07011	20.7
57.14134	0.7
58.15457	0.7
62.73611	0.7
67.05423	25.0
69.06986	51.9
71.04897	1.0
71.08203	1.2
71.08540	10.5
73.06458	1.1
73.71087	0.7
79.05418	11.3
81.06975	27.2
83.08531	31.8
83.09002	1.5
85.10107	4.6
89.05937	5.2
93.06979	15.8
95.08530	26.6
97.06446	2.0
97.10098	15.6
107.08536	9.4
109.10101	11.0
111.08038	1.3
111.11642	4.2
112.99963	84.0
119.29584	0.9
121.10082	14.0
123.11638	4.7
125.09631	0.9
133.08604	1.2
134.25081	1.0
135.11647	9.1
139.11148	1.4
142.12437	0.9
149.13197	1.7
163.14761	0.9
169.02570	44.5
187.03619	3.5
247.24126	2.0
265.25223	3.3
339.28870	100.0
340.29257	7.5
375.78036	1.1
433.26904	4.0
451.35638	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	468.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	1.1
55.05450	3.2
57.07014	2.0
58.02888	2.1
58.06527	1.5
59.06055	5.8
62.48252	1.4
65.03858	1.5
65.46854	1.2
67.05424	12.8
69.06989	11.2
69.07283	1.3
70.06497	7.5
72.08084	1.8
78.77889	1.3
79.05390	6.2
79.54570	1.5
81.06966	23.3
82.06506	2.3
83.08533	2.2
84.08072	16.2
85.10138	1.2
86.05959	1.4
89.05956	39.1
91.05361	3.3
93.06971	13.9
95.04917	1.6
95.08537	15.7
96.08048	10.9
98.05997	2.2
98.09612	2.2
105.06987	9.9
107.08542	9.2
108.08066	10.8
109.08842	2.1
109.10110	6.1
110.09619	5.8
116.63609	1.3
119.08536	7.8
121.06387	1.5
121.10097	3.4
122.09614	3.3
123.08016	15.4
123.36255	1.6
124.11160	3.1
126.09108	3.0
129.90244	1.4
131.08574	1.8
133.08565	9.7
135.07999	6.4
135.11649	5.6
136.11176	3.1
137.11969	2.4
150.06691	1.6
151.07521	100.0
152.14299	7.1
159.11729	2.1
163.07516	1.7
165.09082	1.9
175.07515	1.4
177.11227	2.3
189.09076	1.6
191.10616	20.7
194.15433	1.7
203.10599	1.7
215.35924	1.3
217.12134	1.8
220.20618	2.9
283.17450	17.6
342.24234	7.5
364.06021	1.7
394.27374	1.6
410.30695	10.8
468.34595	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	10.1
54.61928	1.7
57.03379	2.3
58.72417	2.1
59.98298	1.8
60.97939	1.7
61.02859	2.5
67.05437	2.5
69.03345	21.0
70.06503	11.2
71.04909	10.9
72.88059	2.0
73.02812	4.4
76.55883	2.1
81.03333	23.7
81.61608	2.4
84.04424	5.0
84.08063	3.3
85.02829	89.1
86.09615	4.5
93.07017	2.0
97.02818	47.1
99.04382	61.6
103.03880	100.0
109.02830	26.9
119.04915	2.3
127.03873	93.6
128.04309	2.5
145.02855	9.2
145.04944	40.4
157.64282	2.1
163.05965	25.6
177.05417	13.4
194.53128	2.3
271.08188	2.6
289.09238	2.9
346.43246	2.3
458.41855	2.6
469.09464	2.6
469.23001	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	470.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	9.1
56.96484	2.7
57.10173	1.7
61.02851	2.4
63.47194	1.9
68.62367	2.0
69.03344	9.4
70.06507	22.3
71.01233	2.1
73.02846	2.3
81.03347	2.1
82.06493	18.1
84.04446	2.1
84.08063	16.9
85.02828	21.8
86.05984	5.0
97.02814	9.8
100.07538	58.6
110.06008	27.8
127.03873	2.3
128.07024	40.8
130.08609	4.2
145.04987	2.1
146.08096	100.0
146.09198	3.7
292.45630	2.2
308.13367	15.4
434.54163	2.4
436.91290	2.0
467.79883	2.7
470.17920	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	470.2874
Annotation	Cytochalasin Rpho
Peak:m/z	Relative Intensity
51.25351	2.6
55.01812	3.7
55.05227	2.6
55.05456	43.6
57.03363	16.5
57.07017	21.4
62.05768	3.0
62.06019	51.8
67.05429	31.3
69.06987	48.6
71.08541	7.1
74.06667	2.9
79.05392	16.9
81.06981	37.9
83.08546	45.9
85.06498	4.1
85.10107	4.0
92.52315	3.2
93.06966	34.0
95.08536	38.1
97.06437	10.9
97.10119	20.7
98.05988	4.3
98.98393	60.9
107.08538	22.9
109.10101	12.2
111.08018	11.9
111.11629	2.9
121.10118	33.0
126.86070	2.8
129.05415	6.6
135.11646	22.4
137.13210	4.5
142.11865	3.5
149.13181	3.7
155.01001	51.0
173.02048	5.2
173.96866	2.7
216.06297	3.2
219.21027	6.2
237.22112	23.4
280.26230	29.7
311.22211	3.4
311.25769	100.0
312.26062	4.4
329.26819	69.4
391.22433	54.1
409.22845	4.2
429.50415	3.3
434.26639	16.4
452.27417	18.0
470.28662	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	470.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00250	0.9
55.05458	5.2
57.07004	3.4
59.49555	0.5
64.33124	0.5
67.05431	12.2
69.06986	20.4
79.05401	13.3
81.06974	100.0
83.08535	3.0
84.87717	0.5
85.02811	0.7
89.05941	0.9
91.05409	3.9
92.10246	0.7
93.06971	15.8
95.08534	37.1
97.10131	0.8
103.15248	0.5
105.06976	3.6
107.08529	12.4
109.10118	13.2
114.81531	0.5
116.87811	0.6
119.08539	3.8
121.06492	0.6
121.10097	12.6
123.11646	6.1
133.06435	1.3
133.10103	2.6
135.11681	8.3
137.05882	0.8
137.13232	5.7
139.07491	0.8
145.10135	1.0
147.11624	2.5
149.05978	1.3
149.13232	5.7
151.07477	2.3
159.11594	0.9
160.10950	0.5
161.09648	0.8
161.62370	0.6
163.14775	2.3
165.23087	0.6
167.06996	22.4
173.09674	0.9
175.14749	0.7
177.16397	1.3
179.07034	1.0
187.11159	1.0
189.09032	0.7
203.17963	1.0
205.08508	1.2
207.10089	2.4
215.10715	0.6
217.24467	0.5
221.11604	2.0
233.11623	3.9
247.13130	0.6
259.24170	3.3
275.16190	1.1
334.28165	0.6
425.30396	3.7
493.80249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44541	0.7
54.81937	0.6
55.01800	0.8
55.05453	20.1
56.96492	1.1
57.03390	0.9
57.06978	0.8
67.05423	3.5
67.73059	0.8
69.03339	3.1
69.06990	2.0
70.06509	13.2
71.04895	1.6
71.06850	0.9
72.08059	3.6
79.05413	1.2
81.03333	0.8
81.06956	1.7
82.06506	3.5
83.04904	3.4
83.08546	12.4
84.04419	4.5
84.08083	6.1
85.02820	4.6
85.06466	1.2
86.09641	1.8
87.53403	0.9
91.05405	3.2
93.06947	0.9
95.04876	1.2
95.08533	1.1
97.02764	2.8
98.09642	1.4
99.77824	0.9
100.07536	8.3
100.11188	100.0
101.11549	0.8
105.06984	0.8
107.08538	1.5
110.05966	1.8
110.07136	3.0
111.04379	8.8
112.07563	1.3
116.98602	1.1
117.13865	1.3
119.04860	1.8
121.10101	1.6
126.09168	1.0
127.03919	1.7
128.07028	8.8
129.10152	1.0
136.95966	0.8
139.08598	1.5
140.07057	0.8
147.04408	3.6
149.09628	4.2
182.15363	26.1
182.16895	1.2
209.16446	19.6
210.14865	25.1
210.16714	1.2
226.19139	3.4
227.17459	5.9
237.02803	1.7
244.20242	3.6
259.15439	1.4
285.15421	0.9
326.27969	1.9
343.30588	4.8
453.34296	4.4
470.36954	70.4
471.37320	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	1.7
53.39003	1.7
56.04974	3.6
56.96244	2.2
56.96503	55.0
57.03362	9.1
61.02857	1.8
62.31682	2.2
69.03339	11.5
69.06995	3.2
70.06506	29.8
70.52748	1.8
72.08080	4.4
72.12634	2.0
74.05981	3.3
74.71606	1.7
78.03382	3.8
79.05435	2.3
79.66557	1.9
81.06971	4.5
84.04417	12.7
84.08085	17.1
84.95953	33.3
85.02824	19.7
86.09616	9.0
91.05411	2.8
95.04893	3.3
97.02823	9.0
98.97516	18.9
102.97002	8.9
103.03881	3.1
105.03335	25.6
106.02840	13.5
110.07113	5.4
111.08015	2.8
112.03887	2.2
112.99061	8.8
116.72212	2.1
116.98577	20.4
118.51882	2.1
120.98059	3.7
124.03915	19.9
127.03841	3.4
128.98537	4.5
129.10184	8.3
131.00133	26.0
134.99628	25.1
136.07561	3.3
139.44504	2.4
143.00105	2.3
144.98074	2.4
145.02806	2.3
146.99625	9.2
147.04398	3.2
149.01212	41.6
153.00729	3.4
158.99612	2.7
161.01187	10.6
162.99144	11.3
167.02214	10.1
168.98016	10.1
170.99570	3.3
173.01169	9.8
177.00650	3.7
179.00061	3.4
184.06496	2.4
186.99124	49.6
189.00677	5.3
189.06927	2.7
191.02243	11.2
195.49211	2.4
197.01195	75.4
205.00172	26.7
207.01762	2.5
215.02226	100.0
227.02264	2.9
232.99527	2.5
233.03157	3.4
239.02310	3.9
243.01782	3.2
253.03833	5.0
257.03799	2.3
268.08038	5.2
305.03320	4.2
309.02969	2.6
323.04288	55.8
331.04764	4.9
341.05426	10.6
347.04395	9.2
359.03409	2.3
365.05383	2.7
373.53769	2.3
375.03577	2.6
378.60263	2.3
379.82520	2.2
393.04730	16.0
411.06116	19.2
429.06500	3.7
471.08020	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	471.111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62202	2.6
54.81633	2.2
54.91055	2.2
55.05456	2.7
56.96493	4.1
57.03372	2.5
64.49918	2.7
67.05424	3.6
69.03345	5.9
69.06995	6.3
70.06511	41.5
72.08064	6.0
78.62244	2.3
81.06984	2.9
83.04913	3.0
84.04412	3.2
84.08060	14.0
85.02821	13.5
86.09631	3.9
88.05948	2.8
93.06991	3.6
95.08575	3.7
97.02808	5.0
98.97552	2.9
99.04384	3.0
107.08535	3.1
109.02808	3.1
109.10123	3.0
110.07124	4.3
116.98622	3.8
119.04858	4.3
123.79110	2.8
127.03886	2.8
129.10228	5.2
130.06470	2.9
134.99669	3.4
145.02795	2.8
147.04362	2.7
152.35831	2.9
161.05952	2.8
177.05392	3.3
181.04895	6.2
231.99474	2.9
283.09146	2.8
295.07822	10.4
308.06165	2.9
471.11084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	12.7
55.05674	1.8
57.03363	2.1
57.07000	3.7
62.18416	1.8
66.36492	1.6
67.05426	30.9
69.06987	16.1
79.05408	8.0
81.06980	29.3
83.08544	4.8
85.23473	1.8
91.05404	5.0
92.10292	4.8
93.06938	7.1
95.08525	21.9
97.10113	2.0
105.07001	3.9
105.68015	2.0
107.08566	6.8
109.10085	3.2
117.87466	2.0
119.08490	2.2
128.35742	2.1
134.98166	37.6
209.02000	2.2
277.70377	2.0
337.27365	13.9
359.25616	3.6
471.24741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.3
54.81387	0.2
55.05450	17.0
56.04943	0.2
56.96501	0.2
57.03361	0.2
57.06997	0.6
61.02846	0.2
67.05413	0.8
69.03339	0.2
69.06975	0.7
70.06173	0.2
70.06510	3.1
70.49371	0.1
72.08044	0.4
77.64079	0.2
81.06966	0.3
82.06503	2.0
83.04879	1.6
83.08539	14.1
84.04433	0.9
84.08061	3.9
84.95929	0.2
85.02826	0.9
85.06467	0.9
86.06004	0.2
86.09604	0.7
91.05431	0.2
93.06964	0.2
96.08054	0.2
97.02861	0.2
97.06432	0.2
98.09612	1.5
100.07542	5.3
100.11186	100.0
101.05968	0.7
101.11536	1.0
105.06966	0.2
106.07297	0.2
107.08508	0.2
109.02768	0.2
110.06005	1.0
111.04387	7.7
112.07539	2.5
116.98580	0.2
117.13834	2.5
118.06338	0.2
120.08052	0.4
123.83881	0.2
124.03903	0.3
125.06026	0.2
126.08305	0.1
126.09084	1.7
127.08626	0.6
128.07033	5.8
129.05429	0.9
129.10196	0.2
130.06526	0.2
136.07515	0.2
139.08641	1.8
140.07059	2.6
144.10187	0.3
147.11652	0.9
149.01204	0.2
150.15610	0.1
153.05386	0.2
164.14299	0.6
166.14568	0.1
166.15913	0.8
182.15373	24.9
183.15778	0.3
185.08136	0.2
192.13818	0.8
197.01256	0.3
209.16455	14.3
210.14861	28.8
211.15204	0.8
215.02353	0.3
226.19089	2.0
227.17508	3.9
228.15872	2.7
234.90634	0.2
245.18504	3.8
276.83185	0.2
305.86749	0.2
308.26959	0.3
321.11411	0.2
321.29922	0.2
323.04358	0.2
326.27972	1.7
336.22522	1.2
337.21109	1.1
338.48285	0.2
343.30630	1.7
355.22345	0.3
435.33014	1.0
453.34326	3.8
471.35312	63.3
472.21780	0.6
472.35605	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	1.0
54.81680	0.5
55.01805	1.8
55.05443	3.4
57.03373	0.6
57.07009	4.6
59.04939	0.6
61.02864	0.8
65.03874	0.7
67.05428	23.6
69.03338	7.4
69.06989	0.9
70.06516	3.7
71.04905	1.0
73.02835	0.6
76.56224	0.4
79.05408	2.8
81.03331	3.9
81.06960	3.2
83.04897	2.3
84.04413	0.7
84.08072	2.0
85.02824	11.4
85.06462	10.1
86.09611	1.6
87.00748	5.7
91.05396	4.3
93.06976	8.9
95.04903	3.1
95.08531	100.0
96.08868	1.8
97.02846	3.4
99.04375	1.7
99.81741	0.4
105.01814	4.2
105.06964	6.8
106.02837	0.4
107.08545	8.9
109.02834	1.9
109.06474	2.0
109.10096	2.6
111.08031	0.8
113.05946	5.4
119.08537	15.1
120.08050	0.5
121.06466	2.2
121.10101	5.7
123.08018	24.7
123.11665	1.6
124.08292	0.5
125.09611	0.6
127.03854	4.8
129.10164	0.4
131.08545	2.2
133.06442	0.6
133.10085	3.1
134.99677	0.4
135.08034	0.5
135.11662	8.1
136.07570	0.6
137.09618	4.0
137.13219	0.7
145.04909	0.8
147.08023	1.9
147.11656	4.3
149.09593	30.8
151.07529	1.0
151.14790	1.9
156.09326	0.6
159.02885	0.5
159.07996	0.6
161.09618	0.6
161.13208	6.5
161.14247	0.4
163.11136	3.2
165.12691	4.1
171.11621	1.9
173.91844	0.4
174.10359	1.8
179.14276	1.6
189.12674	8.7
207.13760	28.8
222.22209	0.4
231.04962	0.7
341.01385	0.5
390.52386	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07613	0.5
54.26914	0.5
57.07014	0.6
59.87220	0.6
65.00556	0.6
67.05431	1.1
69.06977	0.9
81.06979	1.3
92.10266	1.7
93.06971	1.1
105.06957	0.6
107.08453	0.6
109.10116	0.6
125.51458	0.7
134.98251	0.5
171.41432	0.6
183.52396	0.6
257.34122	0.7
433.38394	0.6
473.34399	100.0
474.34702	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	474.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54362	0.4
70.06504	0.8
80.98725	0.5
83.06001	0.7
84.04410	1.0
84.08025	0.5
85.02822	2.4
86.09630	10.9
91.85101	0.5
95.06037	0.7
97.02810	0.9
98.22306	0.5
105.03349	0.6
105.05722	1.0
106.06490	1.9
110.07176	0.5
111.05501	7.3
115.07523	0.6
120.04429	4.4
121.58877	0.5
123.05562	0.9
125.05817	1.0
126.06571	3.9
130.06593	0.9
132.04422	44.3
132.10184	3.3
134.06000	9.4
137.04668	3.4
143.59407	0.6
146.02354	0.7
151.06125	18.6
155.00095	0.6
158.05998	2.0
177.04050	0.7
194.06688	8.9
195.07457	1.2
202.09712	3.2
230.09134	2.9
232.10852	0.9
242.09157	7.9
247.73982	0.6
257.10287	8.9
258.08716	0.7
259.09146	0.6
259.11829	16.1
284.11310	4.3
289.70709	0.6
302.12408	25.8
303.12680	0.8
327.12103	3.1
345.12982	100.0
346.13330	3.0
437.93771	0.6
456.15939	0.7
474.17181	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	474.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84122	0.3
83.06048	0.5
85.02786	0.4
92.10213	0.4
95.06024	0.7
104.04933	0.6
105.03345	0.7
105.05740	2.0
106.06507	0.4
111.05521	6.9
111.49262	0.3
112.05876	0.3
119.42930	0.3
120.04411	4.7
121.69929	0.3
122.96339	0.3
123.05523	0.8
125.05815	0.6
125.76029	0.4
126.06612	3.5
132.04422	44.5
134.05984	8.2
137.04648	2.9
140.08119	0.6
146.02409	0.4
151.04893	0.6
151.06133	17.0
158.06033	0.5
165.07741	0.4
166.07253	0.7
172.60484	0.4
174.06581	0.5
177.04131	1.4
177.61703	0.4
194.06706	9.1
195.07568	0.8
202.09715	3.7
208.08347	0.4
216.11362	1.3
224.93253	0.3
227.09091	0.4
230.09256	3.2
232.10831	0.5
242.09203	8.8
255.08612	0.7
257.10275	8.7
258.08679	0.7
259.11832	13.5
284.11392	6.2
302.12439	24.2
327.11984	2.9
345.13007	100.0
346.13303	3.1
359.00427	0.4
446.02893	0.4
456.15799	0.6
474.17221	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	474.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86236	0.3
56.04971	0.4
57.59374	0.3
59.32383	0.3
64.76550	0.4
65.72772	0.4
68.22980	0.3
74.74117	0.4
76.14101	0.4
76.56472	0.4
79.10511	0.5
84.29462	0.4
95.06036	0.6
104.04932	1.0
105.03333	0.7
105.05693	1.7
106.06518	0.4
111.05494	7.0
120.04419	5.0
123.05520	0.7
125.05799	0.5
126.06598	4.0
132.04419	44.1
133.05212	0.8
134.05981	8.1
137.04666	3.3
145.03850	0.4
146.02339	0.7
151.06125	16.2
159.05441	0.5
165.07664	0.6
174.06596	0.6
177.04074	0.5
177.26607	0.4
180.08743	0.6
194.06670	9.6
195.07480	1.6
202.09692	2.8
208.08403	0.6
214.09799	0.6
216.11252	0.6
227.09248	0.7
230.09232	2.3
232.10765	1.5
242.09155	7.3
255.08597	0.7
257.10245	7.3
258.08627	0.8
259.11853	15.3
259.14432	0.8
268.56583	0.5
284.11301	6.5
302.12418	23.7
303.12698	0.9
327.11771	4.1
345.12985	100.0
346.13156	3.5
389.28326	0.5
392.05368	0.5
470.87119	0.4
474.17145	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	474.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04968	0.5
85.02856	0.5
92.10871	0.4
95.06019	0.8
104.04947	0.9
105.03327	0.7
105.05714	1.7
106.06526	0.5
111.05518	6.9
111.97973	0.4
120.04423	5.6
123.05535	1.6
125.05809	1.7
126.06611	3.7
132.04427	46.4
134.05992	10.4
137.04675	3.4
140.08191	0.4
151.06134	19.5
152.04555	0.7
158.05962	0.5
166.12331	0.5
174.06602	0.7
177.04015	0.8
180.24855	0.5
185.06915	0.5
194.06715	8.3
195.07498	0.7
202.09711	3.4
216.11302	0.8
230.09155	3.2
232.10817	0.8
242.09177	8.8
257.10287	8.5
258.08743	0.7
259.06424	0.4
259.11841	15.8
259.14407	0.8
284.11380	6.8
302.12439	24.8
303.12689	0.7
306.50089	0.5
327.11963	3.5
345.13013	100.0
346.13217	4.5
474.17261	12.2
481.45056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22534	0.2
61.77478	0.2
69.03335	1.4
69.06987	2.8
70.06490	0.2
81.28708	0.2
85.02837	0.8
86.09631	100.0
87.09965	1.4
97.02814	0.8
103.56572	0.2
121.33995	0.2
126.06536	0.2
127.03853	0.5
132.04430	0.8
132.10175	40.0
133.10440	0.4
145.04941	0.9
151.06154	0.3
172.64270	0.2
181.05362	0.5
185.66798	0.2
302.12357	0.3
345.13159	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	474.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62160	0.1
54.81851	0.2
55.01812	0.2
57.05738	0.2
65.14682	0.2
68.76637	0.2
69.03349	0.3
69.06989	4.1
70.02873	0.3
70.73016	0.2
72.20914	0.2
74.02349	7.0
82.70918	0.2
84.08065	0.3
85.00546	0.2
85.02830	1.3
86.09626	100.0
87.05515	7.6
87.09959	1.2
88.03916	2.0
94.79707	0.2
97.02832	0.3
111.05489	0.2
115.18186	0.3
116.03419	1.9
118.08588	1.7
127.03877	0.3
132.04430	1.9
132.10168	39.5
133.06052	17.5
133.10515	0.4
145.04909	0.3
151.06129	1.1
158.54935	0.2
159.01607	0.2
226.62807	0.2
255.67844	0.2
257.10413	0.3
259.11914	0.4
302.12457	1.5
345.12988	4.6
346.13370	0.3
393.36938	0.3
474.17136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	3.5
54.68864	1.8
54.81203	1.8
55.01800	9.9
55.05460	2.5
57.03364	11.1
60.05567	3.2
61.02849	4.8
66.06245	1.7
69.03352	50.4
69.06973	10.3
70.06509	32.7
71.04887	14.5
72.08060	4.4
73.02811	8.3
81.03335	26.8
84.04411	9.2
84.08041	8.7
85.02828	74.6
86.09629	9.1
87.08030	16.8
97.02824	100.0
97.03448	3.8
99.04391	20.9
101.02337	4.4
109.02830	61.5
110.07112	4.1
120.08086	2.2
121.02811	3.0
127.03873	77.6
129.10257	3.4
130.09734	47.2
133.08743	2.1
145.04927	30.6
147.41086	2.0
151.03896	2.6
163.05994	5.3
216.52145	2.0
237.02667	2.5
259.11682	10.7
277.12762	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81596	1.0
57.07007	1.3
60.06049	0.7
67.05398	1.1
68.83124	0.8
70.97948	0.9
81.06969	1.6
81.61893	0.9
82.61030	0.8
85.21541	0.9
91.05399	1.1
92.63881	1.1
93.06979	1.8
94.74176	0.8
95.08504	1.4
107.97549	1.0
109.10116	1.0
109.14548	1.0
119.08474	1.0
121.06404	1.1
135.08022	18.8
145.10077	7.8
151.07452	1.9
163.11102	11.5
173.09572	11.0
173.11887	1.0
176.08255	6.2
191.10635	100.0
192.10992	1.0
244.85197	1.0
257.15002	1.1
373.27292	74.4
374.27621	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	474.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54237	0.5
55.01815	0.5
55.05444	0.7
57.03378	10.1
57.07005	4.7
58.06535	35.4
59.07317	14.2
60.08098	10.5
69.06988	3.2
71.08543	3.2
73.02837	0.9
75.04394	4.6
75.26372	0.5
79.69309	0.5
81.06972	1.1
83.08525	2.0
84.08870	0.6
85.02831	1.4
85.10095	1.0
87.04411	5.9
95.08546	3.0
99.96220	0.5
109.10050	0.5
114.37025	0.6
119.65178	0.7
131.07072	2.2
134.98199	1.0
144.10150	9.2
162.11223	4.1
213.77196	0.7
218.13843	0.8
236.14882	100.0
456.36835	12.4
457.37112	0.9
469.96512	0.6
474.26791	3.1
474.37808	45.5
475.38049	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15327	0.6
51.61491	0.5
52.94231	0.5
55.05428	0.9
57.03371	7.8
57.07015	13.5
58.06536	44.4
59.07312	15.7
60.08096	12.0
63.53893	0.5
64.33564	0.8
67.05436	1.6
69.06989	2.5
71.08553	6.0
73.02822	1.1
75.04394	3.4
79.31591	0.5
80.39888	0.6
81.06972	3.7
84.08066	0.8
85.02822	2.9
85.10101	3.2
87.04395	6.2
91.83861	0.6
95.08548	3.0
115.79958	0.7
126.00290	0.7
131.06969	0.9
144.10190	8.1
162.11267	1.1
236.14883	100.0
313.27374	1.1
456.36722	16.3
474.37811	67.7
475.37952	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	475.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	1.4
54.81494	1.2
55.01809	5.4
55.05439	0.9
56.96501	1.0
57.03365	1.1
58.99527	2.3
61.02874	1.2
67.05395	1.4
69.03342	6.1
69.06961	1.1
70.06499	6.3
71.04899	1.4
72.08088	1.8
74.00559	1.0
80.04928	2.2
81.03344	2.7
82.06525	2.2
82.73074	0.9
84.04433	1.9
84.08067	1.6
85.02824	19.7
86.09610	5.7
88.03900	1.4
92.78848	1.3
95.04873	4.1
97.01057	1.2
97.02821	12.7
98.06663	1.2
98.97506	1.9
99.04397	2.2
103.03904	1.2
103.33270	1.1
104.04959	1.1
108.04425	2.1
110.05995	2.3
110.07146	1.9
111.04379	4.6
112.02143	7.3
114.03669	1.4
116.98555	1.2
117.05694	4.9
119.04913	1.1
121.06483	1.5
124.02155	6.3
125.00570	3.8
125.05965	1.3
126.03728	4.5
127.03874	7.1
128.06210	1.6
134.99596	1.5
138.03682	11.6
139.03874	9.2
140.05264	5.8
141.00070	1.2
142.03160	6.0
144.05692	1.4
144.08076	1.7
145.04947	5.6
149.06015	1.2
150.03712	18.1
151.03889	27.8
151.05003	2.3
152.05289	1.5
155.01620	1.3
159.08052	2.1
166.03223	1.4
168.04738	24.9
169.05031	1.1
169.07507	1.3
172.04247	1.4
177.05449	1.5
184.04237	5.8
184.72621	1.0
185.08057	4.4
186.05792	2.5
187.02144	5.3
187.07536	6.0
188.02957	1.0
191.06993	5.4
196.04341	2.4
200.01965	1.4
201.03670	2.7
204.02475	1.8
205.08583	2.6
214.05275	100.0
215.07074	18.6
216.02382	25.9
219.04730	4.0
228.01541	1.6
232.01875	14.7
233.08070	35.8
241.09230	1.1
245.04895	1.1
246.02632	1.2
247.04201	25.3
277.12723	1.8
354.10104	14.1
405.69681	1.2
475.11923	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	475.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04483	0.4
69.03339	0.4
69.06979	2.7
70.02868	2.9
70.06488	0.4
74.02354	56.9
85.02809	1.5
86.09628	56.7
87.05517	54.0
87.09955	6.8
88.02179	0.3
88.03916	13.9
98.02339	0.3
99.00751	0.4
112.10055	0.3
116.02589	0.5
116.03404	15.9
118.08611	0.8
127.03860	0.7
132.04411	0.5
132.10172	18.2
133.06056	100.0
133.10509	2.4
134.04419	2.2
151.06078	0.7
171.07643	0.3
180.97255	0.3
198.03183	0.3
224.52365	0.3
235.55222	0.3
302.12424	0.4
345.12918	2.0
346.13153	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	475.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	6.7
53.10592	3.7
54.82131	4.6
55.01814	7.7
55.05452	31.7
57.03368	19.0
61.02832	5.5
62.73535	3.6
67.05437	7.0
69.03354	56.6
69.06980	25.0
70.06512	60.4
71.04890	9.9
72.08070	8.8
75.23434	4.3
75.39188	4.0
79.05400	21.4
79.84591	3.8
81.03329	30.0
81.06973	29.1
82.55867	4.9
83.04881	5.1
83.08536	22.7
84.04427	5.0
85.02830	82.4
85.06461	5.7
86.09615	7.7
87.00751	38.8
91.05408	19.9
93.06976	33.4
95.04893	62.5
95.08540	9.8
96.19439	4.3
97.02836	23.8
97.06453	55.1
99.04376	8.5
100.11169	8.1
105.01809	30.1
105.06977	55.9
107.08536	48.3
109.02829	11.3
109.06466	99.2
109.10117	28.9
110.07169	4.3
111.08033	10.3
118.42949	4.6
119.08509	42.7
121.10094	60.9
123.08006	25.4
123.11644	7.6
127.03848	33.1
131.08548	20.4
133.10071	62.0
135.08046	19.4
145.10118	5.9
147.11647	81.9
149.09662	8.7
153.09041	36.9
163.14877	8.0
165.12738	18.4
173.13235	31.7
191.14284	40.9
209.15300	100.0
227.16377	48.9
263.13806	8.0
422.95718	5.1
474.42776	4.5
475.21429	8.9
475.32449	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60077	0.5
51.15822	0.4
51.94215	0.4
55.05439	1.1
57.07011	0.8
58.09599	0.5
63.42453	0.5
65.64995	0.5
67.05437	1.2
69.06992	2.2
71.08538	0.6
78.04612	0.6
79.05405	1.2
81.06992	4.2
89.03841	9.2
91.05389	2.2
93.06967	1.2
95.08533	3.1
97.10159	0.6
105.06960	0.6
106.24404	0.5
107.08553	1.3
109.06489	0.6
114.37932	0.6
117.03330	37.7
119.08537	0.9
121.10092	1.2
134.03603	3.5
135.04404	4.0
135.11639	0.8
138.35262	0.5
145.02826	89.2
147.11624	0.6
149.05968	16.4
163.03894	0.6
177.05435	100.0
178.05806	1.2
186.05429	2.3
189.54201	0.6
194.11491	60.7
203.10695	0.6
302.67734	0.5
475.27298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79788	0.1
54.74321	0.1
56.08540	0.1
56.79536	0.1
58.90151	0.1
95.21471	0.1
109.46128	0.1
113.25262	0.1
122.70412	0.1
133.43474	0.1
192.36209	0.1
200.65797	0.1
235.06129	0.1
417.66675	0.1
457.31491	0.6
465.40256	0.1
475.32471	100.0
476.32813	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	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34964	0.4
53.03866	0.6
55.01809	0.9
55.05215	0.6
55.05453	8.5
60.05562	0.5
62.06001	2.5
62.45722	0.5
65.03856	0.5
67.05083	0.7
67.05429	21.5
69.06990	7.9
79.05408	8.7
79.79793	0.5
81.06512	0.6
81.06975	13.9
82.39970	0.5
83.08537	2.2
85.05197	3.6
86.06013	1.8
86.22620	0.5
91.05397	3.5
93.06973	8.0
95.04903	0.8
95.08529	10.3
96.08092	0.5
98.05986	19.5
102.26653	0.5
105.06940	0.8
107.08550	3.6
108.65873	0.5
109.10111	3.8
112.07556	1.2
119.08533	4.6
121.10121	2.1
122.09622	0.5
124.07584	1.0
124.11176	0.6
133.10115	0.6
135.11687	0.6
138.09190	0.6
140.10652	1.1
141.71042	0.5
149.13168	0.5
154.12213	0.9
164.39021	0.5
168.13785	1.0
189.27562	0.5
196.16925	1.1
208.17010	0.9
222.18472	2.3
255.83430	0.6
275.01047	0.6
304.26300	100.0
305.26617	4.5
406.87973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	22.0
57.03360	8.2
62.06021	39.5
66.57819	4.9
67.05419	62.8
69.06966	29.3
79.05399	42.0
81.06964	56.6
83.08500	7.6
86.14904	5.6
91.05388	29.6
93.06957	41.5
95.08517	48.3
98.98379	13.1
104.10610	7.7
105.06952	10.0
107.08524	31.0
109.10072	7.5
111.43024	4.9
119.08504	10.0
121.10095	12.9
127.97857	5.5
145.10207	6.7
213.52444	5.2
241.18867	7.0
292.33325	5.4
304.26163	7.2
335.25735	100.0
337.27466	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	476.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	9.7
57.06998	2.6
59.04932	41.6
59.24590	2.0
67.05439	18.7
69.06989	23.8
73.56701	1.6
75.43726	1.8
76.56456	2.5
79.05405	15.4
81.06975	100.0
83.08539	3.1
85.96786	1.8
91.05400	3.8
93.06974	30.0
95.08532	41.4
101.05949	10.0
105.06965	11.6
107.08529	27.5
109.10091	25.6
113.05964	24.4
119.08600	7.3
121.10098	24.8
123.11671	8.1
127.07529	4.4
129.05428	26.1
129.98665	2.0
133.10104	3.1
135.11661	4.6
137.13210	4.9
137.74469	2.1
138.10442	2.0
139.07495	17.1
147.11679	7.8
149.13239	15.0
155.07045	8.9
161.13141	2.3
163.14830	2.8
187.09598	3.6
336.71063	2.2
460.03641	2.2
499.06461	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	476.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	1.7
53.03867	1.6
55.05450	11.3
57.07022	4.6
59.04637	1.8
59.04935	43.9
67.05434	16.6
69.03342	2.3
69.06989	26.1
69.80360	1.1
79.05408	14.2
80.11588	1.0
81.06978	100.0
81.12958	1.0
83.08537	2.2
85.02824	2.0
91.05403	6.3
92.86885	1.1
93.06974	25.3
95.04927	2.1
95.08535	40.9
97.10094	1.2
101.05964	11.3
104.85853	1.2
105.06966	8.9
107.08532	23.8
109.10106	17.8
111.08031	2.3
113.05959	24.6
113.29638	1.4
117.22496	1.0
119.08540	6.0
120.55502	1.1
121.06528	1.5
121.10098	23.6
123.11667	10.1
126.38281	1.3
127.07511	4.8
129.05428	30.4
133.10118	4.0
134.18008	1.0
135.11656	7.7
137.13197	5.6
139.07507	15.4
147.11671	4.7
148.92662	1.0
149.13252	13.2
155.07043	11.9
161.13255	1.9
163.14758	4.2
167.07034	2.3
167.10440	1.1
177.16316	1.2
180.50319	1.1
187.09650	6.7
189.16405	2.0
191.17899	2.2
199.20515	1.2
203.17845	1.8
217.19514	1.3
273.25787	2.7
459.34641	1.7
480.09586	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03675	1.2
56.96507	10.9
58.52480	1.2
62.92459	1.1
76.56768	1.3
83.97582	1.8
86.80257	1.6
101.98570	1.4
128.00166	2.9
146.01212	22.0
164.02261	85.4
164.36824	1.4
174.00717	13.5
182.03300	48.7
192.01773	9.3
218.06940	29.4
220.01389	2.8
228.05411	17.1
236.07980	18.8
246.06416	14.4
258.06509	19.1
276.07492	100.0
294.08569	15.8
299.09222	2.3
347.11246	2.0
388.12970	2.4
411.13275	1.5
459.16278	8.3
477.17499	58.3
478.17844	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	0.9
56.01130	0.4
57.06769	0.7
57.07013	10.4
63.87848	0.4
72.75801	0.4
79.05398	0.7
81.06984	1.2
91.05399	2.9
93.06963	2.1
95.08510	1.1
100.23780	0.5
105.06970	10.3
107.04900	0.5
107.08531	2.9
111.01524	0.4
119.04898	0.5
119.08527	16.3
121.06467	4.6
121.09212	1.1
121.10094	29.8
131.08459	0.5
133.06477	1.2
133.10101	19.1
142.07727	1.2
145.06477	0.5
145.10086	2.4
147.08015	2.1
147.11670	27.0
149.09598	0.6
157.10106	0.9
160.08739	0.6
163.11098	1.2
175.11143	15.2
177.12843	0.6
189.25635	0.5
194.05225	0.5
282.87350	0.6
283.16867	100.0
284.17325	4.2
339.23108	49.7
340.23474	2.2
434.69598	0.5
459.34076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01811	5.7
55.05434	11.2
56.04958	2.8
57.07011	2.6
57.56677	2.2
58.99517	16.7
67.05416	14.3
68.11922	2.2
69.03347	4.4
70.06515	16.6
71.08543	31.3
74.00565	5.1
76.02139	100.0
79.05394	11.5
81.06962	4.5
83.06024	9.6
84.04422	39.6
84.08051	3.3
85.01047	3.2
85.02832	4.8
86.00568	9.7
86.09605	5.9
86.98976	3.8
91.05390	5.5
92.63474	2.1
93.06971	10.5
95.04876	3.8
95.08535	4.7
97.01017	2.5
97.02790	5.4
99.04375	13.7
99.08024	41.4
102.05452	3.2
104.07654	2.2
104.61669	2.4
107.04864	9.5
107.08531	27.2
109.10133	3.6
110.07047	2.8
111.02617	3.7
111.04396	4.1
114.00057	14.1
114.03744	2.5
116.01636	30.5
120.04445	3.7
124.03959	4.1
125.09576	2.9
130.04944	12.9
135.08011	23.6
142.03203	4.9
143.02736	4.6
144.01100	12.0
153.09091	16.5
153.49890	2.8
157.06798	4.4
162.02148	26.0
171.10141	5.6
179.04832	17.6
187.05307	4.2
189.03281	5.9
203.07367	13.7
210.09448	13.4
211.07835	3.0
228.10437	18.0
233.05881	8.8
246.11496	13.7
313.11987	10.9
331.13159	66.9
349.14209	11.5
403.15320	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	478.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01820	7.1
55.05440	11.3
56.04964	7.0
57.03381	2.3
57.07022	2.1
58.99522	23.3
67.05423	10.1
69.03344	3.9
69.06976	2.4
70.06497	8.2
71.04910	3.1
71.08549	31.2
72.08061	2.2
74.00562	4.0
76.02145	100.0
76.03893	3.8
79.05402	15.8
81.03329	4.2
81.06965	7.8
83.04907	3.3
83.06026	6.9
84.04426	36.4
84.08085	3.2
85.01051	3.4
85.02831	3.5
86.00575	8.9
86.09628	3.1
86.98957	4.1
88.02150	3.4
91.05421	8.3
93.06956	7.5
95.04897	2.3
96.04411	3.1
97.02806	7.4
99.04403	17.0
99.08025	38.3
99.09082	1.6
100.08353	2.3
102.03707	2.3
105.06981	3.2
106.02859	10.5
107.04893	8.4
107.08549	26.1
109.02810	2.6
109.10074	2.0
111.02612	3.3
111.04425	6.5
114.00030	18.2
116.01644	23.9
116.10696	2.5
117.06947	6.9
120.08010	3.0
124.03904	21.4
127.03844	2.0
129.06575	3.8
130.04979	8.4
133.04330	1.8
135.08005	14.3
141.04729	2.8
142.03210	3.4
143.02725	4.1
144.01094	11.6
153.09071	16.8
157.06757	7.1
162.02182	25.0
171.10118	4.3
173.26309	2.2
179.04881	13.4
182.09955	6.4
187.05290	7.6
189.03305	8.1
203.07358	11.0
210.09459	7.0
211.07820	2.9
228.10452	18.9
233.05893	4.4
246.11519	10.3
268.08087	3.7
285.12836	2.7
313.12070	10.3
331.13156	63.9
349.14215	11.0
365.97964	1.9
403.15152	14.8
478.18185	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	478.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	1.3
55.01812	2.4
57.03374	7.1
61.02602	0.7
61.02854	10.1
63.35858	0.6
64.51217	0.6
69.03007	0.7
69.03351	14.5
70.06184	0.8
70.06509	12.0
71.01257	1.3
71.04910	0.7
72.08060	0.9
73.02827	7.9
74.05972	0.6
80.09125	0.6
81.03333	7.2
83.01248	0.9
83.06001	0.9
84.04416	3.1
84.08069	4.9
85.02827	100.0
86.09610	1.0
87.04378	1.5
87.05511	0.9
91.03861	4.1
91.05395	3.5
95.01254	29.1
95.04881	0.6
97.02821	30.0
99.00739	1.5
99.04395	4.4
101.02343	1.7
103.03899	4.7
105.07001	4.5
109.02836	8.1
110.07111	6.3
113.02322	4.8
114.11866	0.5
116.98581	1.2
119.04883	1.5
120.08057	1.1
123.00687	1.1
127.03876	25.1
131.03337	1.4
136.03899	1.2
136.07539	3.6
137.05930	1.2
141.01804	63.2
145.04932	29.5
147.04362	3.0
153.05414	0.7
154.04973	5.4
159.02858	7.1
163.05975	11.1
177.00697	0.7
177.03882	2.3
177.05342	0.9
181.04837	0.8
192.03920	0.6
219.01653	1.1
237.02687	1.0
274.14023	0.8
301.00638	0.6
321.08072	2.8
444.09219	0.6
456.14828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05235	2.0
55.05455	24.0
57.03371	19.0
67.05434	48.7
69.06988	38.4
76.30894	2.1
79.05418	10.3
81.06982	45.8
83.08527	10.6
91.05394	8.5
93.06978	11.9
95.08543	36.9
97.10109	4.4
97.97894	2.5
99.91717	2.3
104.74390	2.4
105.06959	3.0
107.08537	8.5
109.10101	11.0
119.08578	2.8
133.10143	4.5
136.45395	2.1
147.88187	2.2
174.20390	2.0
196.93925	1.9
226.31789	2.2
337.27295	100.0
338.27585	2.7
376.80478	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	478.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19075	5.8
54.82016	6.4
55.05435	29.6
57.03381	6.1
62.06009	38.5
67.05424	57.7
69.06980	26.0
72.19669	6.3
75.32679	5.6
76.40355	6.6
79.05395	15.3
79.44955	5.8
81.06966	80.1
91.05396	10.2
92.10190	13.4
93.06973	10.8
95.08518	40.7
98.98405	15.3
109.10143	13.3
109.41119	6.7
114.06586	8.1
114.81545	7.3
172.46379	6.6
173.12057	7.0
180.12236	8.2
276.96436	7.4
306.27948	19.8
308.89929	6.7
333.68552	8.0
337.27271	100.0
452.87814	8.6
460.27704	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	478.2925
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
55.05453	9.3
57.07007	1.4
62.06015	0.8
67.05079	0.5
67.05425	11.0
68.08560	0.3
69.06653	0.5
69.06986	9.5
79.05393	2.2
81.06972	9.3
83.08501	2.6
85.05209	2.6
86.05975	1.5
91.05385	0.7
92.41604	0.3
93.06957	1.6
95.08527	5.8
97.10104	0.6
98.05979	18.3
102.65345	0.3
104.55753	0.3
105.06943	0.7
107.08543	0.7
109.10072	1.5
112.07525	2.4
121.10106	0.8
124.07568	0.4
126.09075	0.4
131.77864	0.4
137.72166	0.4
140.10686	0.6
146.80057	0.3
152.10710	0.4
154.12267	1.1
168.13693	0.6
208.16898	1.6
222.18407	0.6
236.20009	0.7
240.23860	0.3
306.27838	100.0
307.28302	4.2
448.29565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06996	7.0
67.05421	1.9
67.06559	1.3
69.07004	1.7
71.08540	1.3
78.21606	1.1
79.05401	5.2
81.06975	2.2
91.05376	1.9
92.10209	3.2
93.06963	2.4
95.08513	1.5
105.06264	2.2
105.06970	41.9
109.10062	1.8
115.28371	1.1
119.08508	8.1
121.06448	8.4
121.10107	1.9
129.99651	1.3
130.00676	1.4
133.06454	100.0
133.10106	1.8
135.08044	2.2
137.09613	11.8
149.13293	2.7
151.07526	16.2
161.09659	5.0
165.09077	1.5
170.45128	1.3
170.73277	1.2
177.12711	44.3
241.12155	49.4
289.56934	1.3
297.15259	2.8
297.18420	52.4
402.05923	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	1.9
55.05450	17.9
57.07006	3.8
58.28361	1.6
61.69750	1.6
67.05435	24.7
69.06711	1.7
69.06991	25.7
70.90070	1.8
79.05407	19.2
81.06504	3.6
81.06973	100.0
83.08524	8.9
87.36304	2.0
87.40939	1.6
91.05389	12.2
92.10265	1.8
93.06973	51.8
95.07968	2.9
95.08530	77.7
97.10136	2.4
105.06975	24.2
107.08521	44.1
109.10110	30.8
112.88493	2.3
119.08523	31.7
121.10082	39.0
123.11642	10.6
123.23904	2.0
131.08528	4.3
133.10085	9.8
135.11656	17.3
136.40851	1.8
145.10062	3.3
145.98416	2.2
147.11714	13.5
149.13225	22.1
159.11626	15.9
161.13197	14.6
163.14769	8.1
173.13219	9.5
175.14824	2.6
177.16405	2.4
187.14687	2.2
189.16414	2.7
190.09790	1.9
192.65382	1.9
203.17879	3.6
215.17798	3.2
217.19398	10.3
326.32687	2.3
401.34201	3.2
431.15668	2.2
479.30789	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	479.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81381	1.1
51.30252	1.0
52.16366	1.0
63.18118	1.2
73.23944	1.1
105.06941	1.3
108.62402	1.3
156.05440	35.2
157.06174	8.9
159.83498	1.3
183.08177	1.8
184.08978	2.7
188.04271	1.4
189.05185	10.3
196.02898	1.6
205.02908	2.9
236.55070	1.5
236.76225	1.4
238.79739	1.3
250.98300	1.2
301.15683	1.3
317.15213	1.7
328.59937	1.3
350.15091	6.5
367.13681	11.0
435.26260	2.1
442.04498	1.5
478.31979	5.1
479.26163	100.0
479.32117	8.6
480.26514	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	479.373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10553	9.8
51.20270	9.2
55.05451	20.2
57.07006	100.0
69.06979	53.1
71.08549	69.8
73.24958	9.3
76.39764	10.8
79.05419	18.9
81.06974	67.0
82.42084	12.5
83.08535	59.2
85.10105	21.1
89.39740	10.8
93.06976	43.9
95.08532	17.9
96.52013	11.5
96.66121	11.4
97.10120	17.8
101.05944	14.4
105.32146	12.8
107.08526	57.5
109.06441	19.4
109.10152	15.2
120.54515	10.3
121.01077	10.7
121.10093	12.5
123.11691	13.7
127.07507	63.1
129.05438	22.5
149.13237	13.7
150.20514	14.3
158.15840	10.0
181.57486	12.0
197.45140	11.3
336.95230	11.8
423.97919	12.9
466.10086	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	479.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	2.9
55.05455	28.0
55.05667	2.9
57.07013	100.0
62.32808	3.1
62.87140	2.7
64.33974	3.4
67.05422	14.6
69.06991	45.7
71.08542	66.7
72.99764	2.6
79.05412	17.9
81.06984	54.8
83.04908	20.3
83.08519	25.2
85.10108	34.7
93.06973	37.8
95.08542	33.2
97.06458	6.4
97.10099	12.6
99.11629	2.9
101.05988	25.6
107.08528	35.5
107.53703	2.9
109.06476	15.8
109.10104	16.8
111.07303	2.9
111.08027	6.7
111.11662	3.8
121.10120	21.4
123.11690	4.3
125.09615	2.8
127.07500	45.9
129.05437	43.0
135.11656	25.1
149.13234	14.5
153.05434	2.9
153.12775	3.0
163.14767	14.3
167.14217	3.7
181.15800	4.2
209.62627	3.3
210.09274	3.0
241.18103	3.2
307.29962	5.7
309.83621	3.3
452.56519	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	480.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81834	3.0
55.01812	22.3
56.96497	3.9
57.03371	2.2
58.99524	3.3
60.04439	3.9
61.01076	5.5
67.92594	2.4
69.03346	3.4
70.06502	33.9
72.08051	2.4
73.02831	22.8
73.03162	2.7
81.03322	3.8
84.04417	4.4
84.08047	10.1
85.01022	9.8
85.02835	18.2
86.09618	5.7
86.98979	3.5
89.00525	14.2
91.05383	2.4
94.90092	3.1
95.04863	2.3
97.02826	4.6
98.97520	2.6
103.02084	13.7
104.47141	2.1
105.00031	15.7
106.58112	2.2
110.07099	5.8
116.98588	3.1
119.04894	13.6
124.03932	9.2
125.05920	11.4
127.03863	3.2
129.10184	2.7
131.01553	11.0
143.04874	10.1
145.02884	4.5
147.04398	17.1
149.02637	15.6
149.05939	3.0
151.03897	61.5
151.07498	9.3
153.05455	5.1
155.01596	35.7
169.03122	45.6
175.07501	4.9
177.02098	14.4
177.05424	10.3
177.28522	2.6
179.07037	37.5
185.00691	2.3
209.06259	18.0
209.09505	2.8
211.04205	100.0
211.06233	3.5
237.02715	3.5
255.06699	9.9
301.07318	69.1
368.20206	3.0
421.99786	2.7
480.20657	3.8
497.91556	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	480.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99982	1.4
51.00235	1.4
55.01799	2.6
56.96499	2.3
57.03366	4.3
57.50364	1.7
59.49340	1.6
61.02848	10.2
69.03346	21.1
70.06499	3.9
71.04943	2.8
72.31157	1.6
73.02831	2.3
73.06373	1.7
81.03323	11.8
84.04423	1.9
85.02826	100.0
91.03869	2.6
91.05362	2.8
92.10227	3.4
93.06989	2.2
97.02822	25.6
98.97504	1.9
99.04397	3.6
103.05407	1.6
107.37580	1.9
109.02824	7.9
121.02804	12.1
121.06454	49.4
122.23727	2.0
127.03893	17.0
145.04948	17.4
159.07938	2.8
163.05968	3.1
187.07539	13.2
205.08635	8.2
229.08502	2.1
265.10437	3.2
283.07883	1.8
313.45670	2.0
405.57428	2.0
480.17542	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	480.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09117	0.2
51.64530	0.1
52.18179	0.1
55.01823	0.2
55.05444	0.7
56.04975	0.6
57.03365	0.6
57.07019	0.3
58.06528	0.3
59.77275	0.1
60.08098	10.0
64.33120	0.1
67.05434	1.0
69.06987	1.0
71.07294	3.7
71.08567	0.2
78.59258	0.2
79.05407	0.7
81.06971	0.7
83.08551	0.4
86.09630	48.6
93.06988	0.6
95.08523	0.4
97.06477	0.4
98.98398	4.7
98.99010	0.3
104.10686	4.5
107.08529	0.6
124.99969	36.4
129.05421	0.2
135.11717	0.2
143.01070	1.0
184.07315	100.0
185.07672	0.6
297.24277	0.2
370.24594	0.2
381.36847	0.2
462.29550	0.9
480.30988	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	480.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	0.4
55.01810	0.6
55.05452	3.3
56.04975	0.9
57.03355	0.6
57.07016	0.6
58.06544	1.6
59.07326	0.3
60.08093	23.7
67.05420	2.7
69.06984	3.2
70.80961	0.3
71.06892	0.4
71.07285	9.9
72.74390	0.4
73.73470	0.3
79.05401	2.6
81.06967	2.1
83.04874	0.5
83.08542	0.9
86.09625	72.8
93.06965	2.9
95.08527	1.8
97.06461	2.2
97.10122	0.7
98.98400	6.1
104.10677	100.0
107.08538	1.7
109.10118	0.5
119.08529	0.5
119.28334	0.4
119.33322	0.4
121.10108	1.8
124.99959	43.1
129.05453	0.7
135.11673	0.6
143.01028	0.7
152.71738	0.4
163.01566	0.5
184.07301	98.9
185.07744	0.6
195.52563	0.5
198.66754	0.3
205.77402	0.4
278.95123	0.4
297.24261	1.4
307.28128	0.6
307.88434	0.4
448.69897	0.4
462.29630	5.5
472.06607	0.5
480.30743	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24072	1.2
53.00231	1.0
55.05453	34.4
57.03379	20.0
57.07015	16.0
67.05436	20.8
69.06991	38.7
71.08552	6.6
79.05428	10.8
81.06976	19.9
83.08537	24.0
85.10094	1.3
91.05412	1.6
92.10960	3.9
93.06982	16.8
95.08533	23.0
97.06476	2.5
97.10123	12.1
98.98408	2.1
107.08557	8.6
109.10093	7.7
111.11629	1.9
121.10096	11.8
123.11686	2.4
135.11685	7.2
149.13173	2.9
169.07773	1.1
206.67303	1.3
303.03964	1.3
308.29532	2.6
339.28876	100.0
393.90335	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	21.6
57.03366	7.5
57.07011	6.7
62.06012	18.8
67.05422	16.6
69.06982	33.0
69.77898	3.1
71.37194	3.0
73.96075	4.0
79.05386	4.9
81.06969	16.6
83.08531	17.3
93.06940	6.6
95.08555	13.5
97.10104	5.9
98.98399	8.4
135.11623	6.9
155.01103	3.8
254.14261	3.9
308.29358	15.3
339.28903	100.0
393.09122	4.1
480.29688	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	480.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	3.7
55.34538	0.5
56.04976	1.3
57.03375	2.4
57.06999	0.8
57.30672	0.5
58.06527	1.0
59.31665	0.5
60.02454	0.5
60.08095	22.8
63.75896	0.5
67.05424	4.3
68.94244	0.5
69.06989	3.9
71.07287	11.0
74.05200	0.5
79.05418	3.0
81.06974	3.1
83.08540	3.0
86.09627	76.9
92.10184	0.6
93.06970	1.2
95.08540	2.5
97.06463	2.2
98.05979	2.5
98.98389	5.7
104.10681	100.0
107.08550	1.2
109.10072	0.8
116.71275	0.5
121.10070	1.0
124.30965	0.6
124.99957	45.1
129.05417	0.7
135.11711	1.0
143.01068	0.8
184.07304	93.5
185.07433	0.6
218.81725	0.6
306.27902	3.4
307.28210	6.9
308.28503	3.6
375.00873	0.6
400.65421	0.6
462.29788	6.5
480.30750	30.1
481.31235	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3085
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
54.94410	0.2
55.01802	0.3
55.05452	6.9
57.07020	2.4
62.06007	0.3
67.05418	1.8
69.06996	6.3
70.06493	0.2
71.08518	0.8
72.04437	0.5
72.08089	0.4
73.64107	0.2
79.05407	1.3
81.06982	1.7
82.06524	0.4
83.08551	2.6
85.05220	1.0
85.10086	0.3
86.05977	0.4
91.05388	0.3
93.06956	1.2
95.08532	1.7
96.08066	0.3
97.10112	1.1
98.05988	11.7
107.08544	0.5
109.10097	0.4
112.07552	1.3
154.12338	0.3
217.58902	0.3
221.10957	0.2
229.22247	0.2
308.29434	100.0
309.29758	2.8
326.30341	0.5
338.26965	0.3
386.57214	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3081
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
51.05019	0.3
52.95430	0.3
53.00234	0.3
53.03843	0.2
54.81898	0.4
55.01803	0.4
55.05184	0.4
55.05447	8.5
57.07010	3.0
62.06007	0.5
66.56300	0.3
67.05415	1.6
67.61125	0.3
69.06988	7.5
71.04876	0.3
71.08546	0.7
72.08057	0.4
79.05405	0.8
81.06985	2.2
83.08536	3.5
84.08062	0.5
85.05201	0.8
85.10082	0.3
86.05991	0.8
93.06946	1.3
95.08524	1.8
97.10083	1.8
98.05365	0.6
98.05976	12.2
98.06613	0.6
107.08527	1.3
109.10105	0.6
111.75522	0.4
112.07556	1.7
116.08094	0.3
121.10052	0.4
123.33279	0.3
126.09079	0.3
135.11604	0.5
136.56850	0.3
154.12297	0.4
172.45361	0.4
172.86075	0.3
186.28389	0.3
220.40866	0.4
234.76958	0.4
238.17896	0.4
293.21918	0.4
308.29401	100.0
309.29709	2.6
314.03494	0.3
326.30609	0.5
443.39273	0.3
456.33426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56367	2.4
55.01810	2.2
55.05447	28.2
57.03364	5.1
57.07001	12.0
61.46016	2.4
62.46015	2.3
65.72061	2.7
67.05424	80.2
69.03007	2.7
69.03317	18.8
69.06982	14.6
70.06522	2.9
71.04890	5.1
72.34122	2.5
76.84566	2.7
81.03345	6.1
81.06506	4.8
81.06969	100.0
81.07442	3.4
83.08533	24.6
85.02823	34.2
85.06466	39.5
85.55288	2.6
87.00745	13.4
95.08521	81.9
97.02814	11.1
97.10088	23.4
99.08024	11.0
105.01810	5.8
109.02823	10.9
109.10089	70.7
123.11644	42.3
127.03869	6.3
135.94890	2.7
137.13223	10.8
145.05058	3.6
179.17934	18.4
191.76012	2.9
197.18956	53.4
215.20070	23.8
233.20937	2.8
292.67053	2.8
294.56390	2.9
424.21216	3.8
481.20538	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	482.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
67.56071	0.1
74.09628	21.5
75.47118	0.2
82.06237	0.2
92.10870	0.2
94.32065	0.2
97.59306	0.2
111.64943	0.2
114.08881	3.4
114.37080	0.2
118.08608	0.3
140.06801	100.0
141.07152	0.7
148.20047	0.2
156.04185	0.4
158.07851	0.2
176.07657	0.2
200.07652	1.5
208.08527	0.1
218.08749	0.7
430.64999	0.2
459.65063	0.2
464.73166	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00264	0.6
53.03876	2.8
55.01805	3.3
57.03373	7.3
61.02854	11.1
69.03350	21.3
69.54475	0.6
70.06522	0.6
71.04903	3.1
73.02825	3.3
76.86105	0.5
81.03332	14.0
84.04450	0.8
85.02828	100.0
87.04394	1.3
91.03883	5.0
97.02824	28.8
97.03453	1.1
99.04404	4.7
103.03876	1.1
109.02829	80.2
115.03835	0.6
127.03882	17.0
132.50957	0.6
133.02840	1.1
136.06169	11.0
136.32085	0.5
141.05441	37.8
145.04941	21.2
147.04422	1.2
163.05951	8.9
177.05418	2.8
189.05525	0.7
201.69180	0.6
207.06493	1.3
227.01707	0.6
237.41397	0.6
267.08600	3.7
268.10559	0.9
376.84573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00198	0.5
55.05426	0.6
56.04960	0.6
57.03394	0.7
60.36971	0.6
63.17208	0.5
65.03864	3.6
67.05408	1.4
69.03341	4.5
70.06503	6.2
72.08065	2.7
73.02824	0.7
74.08752	0.6
81.03339	5.2
82.04118	1.1
84.04430	3.7
84.08068	3.9
85.02837	9.6
86.05968	1.2
86.09633	1.5
91.05393	1.0
95.04902	2.4
97.02824	2.6
97.06487	0.7
99.04378	0.7
106.02863	2.9
109.02830	3.3
110.03628	1.5
110.07145	1.3
111.04369	1.0
111.05513	0.7
116.98487	0.7
119.04900	0.8
120.08015	0.9
121.06464	1.4
123.04405	0.8
124.03905	3.1
126.59857	0.6
127.03882	2.9
135.10603	0.6
136.07558	1.5
137.05978	0.7
140.04651	6.5
142.02560	1.2
151.07471	0.8
153.05479	1.0
155.06975	2.7
158.07950	0.6
168.19946	0.6
171.06494	7.1
175.08650	0.6
177.05515	0.9
181.04918	100.0
182.05278	2.9
199.06007	3.2
200.26755	0.6
237.02545	0.6
253.09326	0.7
321.46365	0.7
325.09183	2.7
343.10114	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	482.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	1.5
57.07019	2.5
60.08096	10.7
67.05447	1.2
69.07000	1.1
71.07288	2.7
71.08565	0.9
81.06985	2.9
83.08539	0.9
85.81459	0.6
86.09628	47.7
93.07001	0.9
95.08508	0.8
98.05991	0.6
98.98399	3.9
104.10688	6.6
104.65509	0.6
107.08456	0.6
124.99966	31.6
180.91798	0.7
184.07309	100.0
185.07710	0.8
232.29701	0.7
291.29932	0.7
308.29404	3.2
309.29730	5.0
310.30063	4.1
462.17633	0.7
482.32489	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	482.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74778	0.8
57.07010	6.2
60.07819	1.2
60.08098	22.8
60.08390	1.9
69.72308	0.9
71.07289	8.4
71.08540	2.1
86.09624	71.4
92.10377	1.4
93.46738	0.8
98.98360	6.1
103.52017	0.9
104.10674	100.0
105.10986	1.5
124.99952	41.2
137.01013	0.9
146.69925	0.9
184.07297	95.5
226.58174	0.9
299.25754	1.6
362.51443	1.0
464.31308	8.5
482.32330	29.4
483.32623	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	482.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	1.4
54.25315	0.6
55.05453	9.0
57.03373	18.9
57.07013	63.4
57.49820	0.5
62.06023	2.2
67.05429	12.2
69.06990	9.4
70.06521	1.6
71.08544	36.2
72.04433	0.9
72.08070	87.3
73.08397	0.7
73.08934	0.5
79.05400	0.6
81.06973	15.2
83.08538	11.2
85.06480	0.8
85.10102	20.0
89.05953	4.1
93.06953	1.1
95.08533	20.8
97.10102	3.5
99.11632	0.8
103.07511	1.5
104.33071	0.7
105.97961	1.6
107.08557	0.8
109.10085	9.5
111.08045	1.1
117.09097	0.8
117.79493	0.7
121.10149	0.8
123.11650	2.9
137.13206	1.0
170.05734	42.9
185.94611	1.3
190.92563	1.1
203.95677	0.9
213.94133	6.2
215.95604	7.3
228.94063	3.7
231.95065	1.1
239.23721	1.4
257.24664	2.5
269.96613	0.8
271.98288	7.2
276.31750	0.7
286.13226	0.7
304.54834	0.8
313.27310	100.0
314.27539	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	482.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05459	8.6
55.99290	1.1
57.03374	15.5
57.07016	55.7
67.05434	10.6
69.06994	9.8
71.08551	40.1
78.10860	1.1
79.05397	1.7
81.06984	12.5
83.08544	7.1
85.10119	16.0
89.05952	16.3
93.06956	2.1
95.08540	17.2
97.10088	5.7
99.11633	1.4
99.19591	1.1
109.10072	8.4
121.10166	1.5
123.11655	1.9
133.08580	2.2
139.23933	1.0
199.08557	1.3
229.81206	1.0
283.17432	4.4
285.83530	1.1
310.30917	4.4
341.30453	100.0
342.30765	5.1
346.87350	1.2
463.03552	1.4
465.37933	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	482.3241
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
55.05442	8.6
57.03363	10.8
57.07014	77.7
57.86337	1.7
62.06020	22.1
65.91308	1.9
66.97217	1.6
67.05432	8.1
68.30470	1.6
69.06981	7.8
70.28271	1.6
71.08550	53.1
79.13008	1.6
81.06970	12.0
83.08531	9.3
85.10100	23.5
89.05956	44.7
95.08555	15.1
97.10094	3.0
98.53960	1.9
98.68567	2.0
98.98386	11.7
99.11674	2.9
109.10133	2.6
111.11668	2.3
118.49706	1.8
124.29720	2.5
133.08572	14.4
155.01024	3.4
162.26714	1.8
177.11224	4.5
251.83905	2.2
283.17435	14.3
310.31073	14.7
341.30450	100.0
342.30890	3.8
390.19431	2.1
421.27133	4.5
464.31195	3.0
464.91699	2.1
465.37650	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	482.324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64805	0.1
55.05452	0.3
56.04969	0.6
57.03367	0.7
57.05751	1.0
57.07010	4.3
67.05415	0.9
69.06982	0.7
70.06508	3.5
71.08549	2.7
72.08068	100.0
73.08391	0.7
81.06966	1.2
83.08528	1.1
85.10108	1.6
90.09108	3.3
95.08546	1.9
97.10110	0.2
109.10110	0.9
123.11694	0.2
123.38590	0.1
170.05721	2.4
244.09412	0.6
245.78954	0.1
313.27298	14.3
314.27777	0.6
340.86615	0.2
345.37766	0.1
370.39093	0.2
413.08856	0.2
464.31241	2.7
482.32312	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	482.405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06960	1.3
55.05439	1.9
56.77767	1.0
57.06738	2.0
57.07011	60.5
57.52792	1.0
69.06982	5.4
71.08182	2.0
71.08547	40.0
73.06458	1.4
75.08356	1.1
81.06995	1.3
85.10111	18.5
87.04383	2.3
89.05952	100.0
93.92222	1.1
99.11641	1.6
107.06982	1.6
133.08568	30.7
137.06134	1.4
155.36099	1.3
177.11194	10.1
180.68379	1.4
183.21158	1.9
195.12187	1.4
221.13770	1.5
283.17499	32.7
465.37775	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78946	3.7
55.05438	19.1
57.03367	5.3
60.81144	4.2
65.45359	3.7
67.05423	27.4
69.03348	6.3
69.06985	5.8
70.06522	64.0
71.04932	4.5
72.08080	7.8
74.46116	4.1
79.05422	7.4
81.06979	100.0
83.04966	5.0
84.04446	6.0
84.08054	19.3
85.02841	10.9
85.06451	25.6
86.09625	20.6
91.05435	6.9
93.06962	22.4
95.01271	7.9
95.08542	83.6
97.06435	10.7
99.08042	7.3
105.06979	34.5
107.08530	9.5
109.10118	20.4
110.07095	9.1
119.08523	18.7
121.10091	21.4
121.26855	5.7
124.03954	7.3
129.10210	7.3
133.10089	6.9
135.11615	7.6
137.13170	7.2
145.02859	8.1
146.99954	4.2
151.03917	4.9
151.14854	5.6
156.41617	6.2
159.00063	4.6
159.09119	6.5
161.13170	33.2
163.03812	6.8
177.05403	9.2
178.26927	4.8
179.14288	47.9
197.15364	37.7
220.68678	4.4
271.19009	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	2.4
57.03370	1.3
60.08097	21.3
67.05409	1.9
69.06983	4.5
71.07294	8.7
81.06943	1.8
83.08534	1.9
86.09629	74.5
86.20837	1.0
86.68077	0.9
88.94849	0.9
92.65174	0.9
93.06970	1.1
95.08508	1.4
98.98380	7.6
104.10685	100.0
107.08528	1.2
107.32294	1.0
109.10107	1.1
124.99963	48.0
129.05397	1.0
135.11694	1.2
139.11150	1.0
146.35216	1.1
160.54330	1.1
184.07309	89.6
240.09827	2.0
253.32077	1.2
258.10941	9.2
259.12509	1.1
439.52707	1.2
466.29419	8.4
484.30234	18.5
490.72397	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	485.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04958	2.4
56.96504	100.0
56.96789	3.9
57.03368	2.8
67.05446	2.5
69.03333	2.5
69.06987	2.5
70.06516	30.2
71.95175	3.6
71.97797	1.9
72.08064	8.7
79.05379	3.9
81.06958	3.9
84.04424	8.7
84.08068	21.2
84.95962	22.9
85.02814	8.7
86.09615	10.2
91.05407	23.0
92.10811	3.6
93.06982	3.4
95.08519	8.4
97.02831	2.3
98.97504	29.4
102.97062	2.3
103.03798	2.1
105.06982	2.5
107.04868	2.3
107.08483	1.9
107.69686	1.9
110.07095	2.9
112.99069	10.3
116.98590	30.3
119.34051	2.6
120.08060	4.8
121.12830	1.9
122.02668	3.0
124.03930	3.0
128.98578	9.5
129.10220	4.5
131.00133	33.0
131.53134	2.0
133.09988	2.5
133.51915	1.9
134.99634	23.9
141.06912	2.2
143.00108	3.3
144.98080	4.4
145.10138	2.7
146.99649	10.0
149.01210	51.9
153.00700	2.4
158.99623	3.4
161.01198	12.0
162.99115	9.6
167.02243	12.2
168.98074	9.4
169.01700	7.6
169.09990	3.6
170.99608	10.5
173.01173	16.2
177.00664	4.2
181.00044	2.5
181.01601	2.7
181.09908	2.1
183.11687	4.2
184.11911	2.3
186.99106	63.1
187.02754	13.4
189.00673	10.4
191.02228	13.9
197.13220	2.7
201.00679	2.7
205.00208	36.3
207.03299	2.4
209.13226	2.8
211.02730	19.1
214.98753	2.9
219.01733	38.6
225.16306	10.9
226.16661	2.4
227.02203	3.3
229.03802	43.6
232.99620	2.9
235.02821	3.2
237.02596	14.7
243.01733	14.1
247.04823	2.4
249.04382	6.9
257.13348	2.7
261.02725	4.5
267.05341	3.9
271.01099	3.2
271.16824	4.5
277.03793	3.6
287.02219	2.6
305.03265	3.5
319.04922	31.6
331.13638	13.6
332.13760	7.5
337.05783	27.1
343.04733	4.2
345.06396	8.2
361.05869	13.9
377.14069	12.3
379.07211	2.5
389.05273	15.3
402.16827	2.4
407.06406	14.1
425.07349	28.5
449.17694	2.3
463.13766	2.2
466.19263	4.9
467.19305	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	485.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66758	2.0
55.01813	2.1
55.05442	5.0
56.04966	3.4
58.99517	4.3
67.05426	14.7
69.97349	2.0
70.06504	11.2
72.08060	2.2
74.00613	2.2
76.02140	4.9
81.03346	2.5
83.06039	2.9
83.08539	4.3
84.04428	61.2
85.02810	2.9
86.09623	3.3
86.98991	2.2
88.03932	2.9
95.04911	16.0
96.08095	2.9
97.28645	1.8
99.02634	3.8
100.11159	20.4
105.00014	3.8
106.66920	2.4
109.06473	2.5
110.05995	3.8
111.02626	4.0
111.04392	16.3
118.06454	3.1
122.02699	13.5
123.04401	18.9
124.05164	12.0
126.03675	4.9
127.02087	3.1
130.04948	13.0
138.48573	2.8
139.03847	18.5
142.03215	3.6
144.04779	10.0
146.12630	2.2
151.03885	38.0
152.04131	4.3
152.05273	77.7
155.01584	13.7
167.01532	16.9
170.06281	11.0
174.06766	4.0
178.03381	2.0
182.15375	3.2
188.03734	3.3
191.07036	21.5
198.05817	41.5
200.07359	3.7
207.04794	5.1
209.16621	3.6
210.14842	3.6
216.06844	100.0
217.08609	39.3
221.06245	5.0
234.08807	4.0
235.09653	8.3
249.05777	18.8
267.06827	14.2
273.55896	2.1
356.11520	14.9
485.15472	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30505	0.4
52.51163	0.4
53.03893	0.9
54.20352	0.4
55.01796	2.1
55.05447	2.2
56.04974	3.5
57.03382	0.7
58.99522	4.8
65.03871	2.1
67.05420	10.4
69.03352	1.0
69.06998	1.3
70.06497	5.4
72.08076	0.7
74.00575	2.1
76.02142	8.2
79.05417	2.7
81.03336	2.1
81.06992	1.1
82.06526	0.6
83.04900	2.8
83.06030	2.8
83.08566	0.7
84.04428	56.0
84.08066	2.0
85.01079	1.0
85.02826	3.4
86.00577	0.7
86.09634	2.6
86.98992	3.9
88.03922	3.5
91.05413	2.6
93.03340	3.5
93.06947	0.7
94.06503	2.6
95.04892	11.2
96.08070	2.3
97.01044	2.2
97.06447	0.7
99.02630	6.1
100.11176	3.1
102.05492	0.9
105.00001	4.8
108.93607	0.5
109.00981	0.8
109.02843	1.1
109.06464	0.8
110.05991	1.1
110.07147	0.8
111.02626	4.9
111.04387	13.4
112.07590	0.5
114.09187	0.5
118.06478	3.8
119.04945	0.8
119.07275	1.1
119.08551	0.7
120.08118	0.6
122.02689	14.2
123.04367	16.5
124.03865	0.6
124.05164	11.2
125.00564	2.8
125.04153	0.8
125.05939	1.0
125.07047	0.6
126.03691	6.6
127.02100	7.7
127.03881	0.8
128.06175	0.6
128.07057	1.0
129.06561	1.9
130.04968	13.8
131.08499	0.8
132.01022	0.5
132.31709	0.5
135.02631	1.2
136.07574	0.8
137.04152	0.9
137.05998	3.4
139.03886	16.9
141.05453	2.6
142.03197	7.1
144.04765	7.6
145.02808	0.6
147.04390	2.1
151.03879	34.5
152.05266	62.9
153.03699	0.7
153.05536	0.9
153.06625	0.7
154.04942	1.1
154.06871	2.3
155.01590	13.2
156.06546	1.1
157.06531	1.1
163.03838	0.7
163.07454	0.9
165.05482	0.9
167.01578	14.6
170.06319	9.6
171.07738	2.7
172.04288	0.9
174.06773	3.7
175.07536	1.0
177.05507	2.6
178.06288	0.6
180.02405	2.4
182.15414	0.8
183.01056	0.7
184.05237	0.8
187.07558	2.0
188.03821	3.5
188.08371	2.4
189.09088	3.8
190.06204	0.7
191.06970	25.3
193.03165	2.6
198.05798	41.2
199.07231	2.4
200.07356	4.7
202.06296	1.0
207.04771	5.4
207.06468	1.5
210.14903	1.2
214.05318	0.8
215.07011	1.1
216.02538	2.8
216.06854	100.0
217.02921	0.9
217.08586	42.2
218.02011	2.3
218.08824	1.2
219.04857	0.6
221.06248	7.7
231.04550	2.3
233.08078	0.6
234.04260	1.0
234.08829	5.3
235.09552	6.6
235.11612	0.5
247.04201	0.8
248.04585	2.1
249.05809	15.8
251.06967	3.2
267.06808	13.5
269.21799	0.5
314.95145	0.6
338.08945	0.8
356.11588	15.0
410.99854	0.6
422.12607	0.8
453.34207	1.3
468.13284	2.8
484.24200	0.8
485.15854	26.3
485.22879	1.2
485.57858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.4
53.24314	0.4
54.57872	0.4
55.01817	0.4
55.02906	0.5
60.05571	3.1
60.58297	0.4
61.02848	0.6
64.05363	0.4
64.73096	0.4
65.13683	0.4
68.99780	0.5
69.03350	3.8
70.06149	0.7
70.06506	12.1
71.04896	0.5
72.07717	0.5
72.08069	10.2
73.02832	0.6
76.56612	0.5
77.54613	0.4
81.03324	0.8
84.04408	0.8
85.02822	6.7
87.04389	0.6
91.03896	0.6
91.05387	2.0
97.02800	3.3
97.07574	2.0
97.22836	0.4
97.52419	0.4
98.05958	1.9
98.97528	0.5
105.03332	3.2
112.08662	2.8
113.07043	0.5
114.10242	14.2
115.08614	2.7
119.04878	2.6
122.03550	0.5
127.03871	1.8
131.12894	7.3
133.02815	54.5
134.03214	0.5
136.07509	0.6
144.08037	2.1
147.04387	3.7
150.03047	0.7
151.03876	16.6
157.10805	2.9
161.02301	64.6
162.02637	0.6
165.05446	3.4
175.03883	3.2
178.02509	0.6
192.86572	0.6
193.04929	100.0
194.05293	2.0
207.28738	0.5
261.34753	0.5
263.13800	1.9
264.12268	3.9
305.16098	0.7
306.14365	4.2
323.16974	7.8
485.22360	65.9
486.23083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	1.0
53.06377	0.5
53.99354	0.5
55.01801	0.5
55.05445	7.5
57.03372	20.1
57.07011	60.3
58.07345	0.8
60.08095	5.5
60.93277	0.5
61.80183	0.5
62.85601	0.5
67.05430	12.1
69.06985	11.0
71.04913	0.6
71.07284	0.8
71.08545	37.3
75.04385	1.0
79.05443	0.6
81.06972	13.4
83.08533	10.4
85.10101	19.1
85.10578	1.0
86.09628	16.0
87.09965	5.4
88.10319	0.5
89.05946	3.0
93.06980	1.1
95.08535	21.8
97.06463	0.6
97.10086	5.6
98.62511	0.5
98.98396	10.1
99.11688	0.8
100.69347	0.5
102.57089	0.6
103.07536	1.0
104.10673	19.0
105.10469	0.6
105.11024	6.4
106.11164	1.1
107.08519	0.8
109.10102	8.5
114.36397	0.6
123.11662	2.1
124.99957	9.3
126.00312	1.2
127.00401	3.1
137.13278	0.7
143.13574	0.6
155.01030	2.4
173.02097	0.6
184.07292	16.9
185.07660	7.7
186.07755	6.7
230.96643	0.6
239.23749	0.9
257.24722	2.6
313.27310	100.0
314.27496	4.9
466.31735	0.9
484.32867	6.9
485.33307	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	485.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00266	0.3
53.03868	0.3
55.01814	1.1
55.05452	4.1
55.53809	0.2
57.03379	3.4
57.07013	7.8
61.02847	0.5
61.88389	0.2
65.03863	1.0
65.51891	0.2
67.05421	2.3
68.03464	0.2
69.03356	3.0
69.06992	4.1
71.01281	0.3
71.04913	1.8
71.08553	0.4
72.08075	0.5
73.02847	1.8
79.05412	6.3
81.03349	1.3
81.06975	5.2
83.04900	2.1
83.08542	1.8
85.02827	3.3
85.06461	5.2
85.10056	0.2
87.04359	0.3
87.08017	0.3
89.05968	0.9
89.82105	0.2
91.05407	76.0
92.05716	0.5
93.06963	2.8
95.04871	0.4
95.08543	1.3
97.02809	0.9
97.06460	1.0
99.04370	0.4
99.08070	0.2
103.03886	0.3
103.05432	0.6
103.80936	0.2
104.06189	5.4
105.06976	15.7
107.08535	1.3
109.06456	1.7
111.04375	0.3
111.08025	3.9
117.05418	0.3
117.06961	0.5
125.09573	0.9
127.07529	3.9
129.09067	1.0
131.08548	0.5
132.85997	0.2
133.10098	100.0
134.10452	1.2
135.08034	0.5
137.09579	0.3
141.09131	0.3
147.08035	4.3
147.55957	0.3
149.09595	11.8
153.09070	1.9
171.10112	3.1
189.11238	2.1
296.43262	0.3
313.27246	0.6
497.14520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32670	1.0
50.57294	1.0
57.03368	2.8
61.02847	2.7
64.33114	1.1
69.03349	8.9
70.06479	1.2
71.04916	1.2
71.23218	1.1
71.62656	1.2
73.59968	1.1
81.03312	4.4
85.02339	1.8
85.02829	38.4
87.13180	1.0
91.03882	1.3
92.10884	2.6
94.35419	1.3
97.02822	9.4
109.02837	2.9
113.95081	1.3
127.03863	8.4
136.06155	40.6
137.06589	1.9
145.04897	8.3
163.06012	2.2
201.52737	1.5
259.07770	1.8
268.10468	2.4
331.09628	1.7
347.09384	4.9
427.09378	1.3
487.14114	100.0
488.14511	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	487.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00259	0.6
53.03881	1.8
55.01808	2.9
57.03381	5.7
59.33357	0.4
61.02861	10.6
69.03352	18.0
71.04910	2.7
73.02840	4.7
81.03346	7.8
83.01241	0.5
85.02831	100.0
86.03159	0.7
87.04398	2.9
91.03892	4.5
97.02826	21.7
98.45814	0.5
99.04399	4.8
103.03881	0.9
109.02833	8.2
115.03900	0.6
120.73845	0.4
127.03878	17.8
127.04772	0.7
132.04344	0.5
136.06155	10.3
145.04942	25.4
157.07643	0.6
158.05971	0.5
163.05994	8.0
174.30501	0.5
175.08723	0.8
180.92395	0.5
183.90254	0.5
221.08994	0.6
250.19702	0.5
256.79187	0.5
268.10425	0.7
303.46567	0.5
303.78015	0.4
325.11221	0.5
487.14218	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	487.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	2.0
55.01813	2.8
55.05439	0.6
56.96486	0.8
57.03375	3.5
61.02843	1.7
66.92901	0.4
69.03346	16.7
70.06506	7.1
71.04898	6.6
72.08057	1.4
73.02820	1.6
76.71271	0.4
81.03331	15.2
84.04411	2.5
84.08072	2.2
85.02818	8.0
86.09627	2.7
87.05532	0.4
91.05399	1.8
97.02826	2.7
98.97540	0.6
99.04391	7.7
103.03862	2.9
104.85268	0.4
106.02824	0.4
107.08556	0.4
109.02821	0.8
110.07080	2.4
116.07050	0.5
116.31316	0.4
116.98553	0.7
117.05470	0.9
118.06454	3.1
120.08018	0.8
124.03888	0.6
127.03851	3.9
128.04216	0.5
129.10176	0.7
136.07535	0.4
137.05879	0.5
145.02765	0.5
145.04939	1.5
145.07573	5.2
146.99651	0.4
147.04431	0.6
147.09134	7.6
147.11668	0.4
158.99693	0.4
162.07874	0.6
163.03944	0.5
163.06006	0.9
163.08604	0.7
173.07047	12.2
175.08627	6.2
190.19829	0.4
191.08104	100.0
192.08405	1.9
197.04860	0.5
205.09802	0.5
215.11983	0.4
219.01787	0.4
223.15475	0.5
233.09128	0.8
237.02608	0.4
239.12599	0.4
289.11801	0.8
307.12808	17.9
324.74634	0.5
325.13843	44.7
326.14114	0.7
330.24313	0.5
340.81058	0.4
427.14920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77739	0.3
56.96504	27.5
65.77478	0.4
67.05419	0.4
71.95164	2.5
72.95953	2.1
74.97502	0.9
77.03439	0.4
105.56041	0.4
111.58410	0.4
115.97729	0.5
133.01717	0.6
137.02687	0.6
146.99593	1.0
155.03780	0.7
163.30956	0.4
169.05270	0.5
175.06418	0.8
187.06358	0.9
189.07986	0.8
193.07399	0.9
203.09677	0.5
205.07469	8.8
207.09032	0.8
211.10101	0.5
217.07513	0.6
223.08191	3.7
223.10141	2.3
225.08174	0.4
231.09050	1.0
239.09433	3.0
241.11063	40.7
243.08917	0.4
245.10529	1.0
257.10614	3.2
259.12115	100.0
260.12454	0.9
264.12711	1.7
269.10568	0.5
271.11874	0.6
277.13034	0.7
282.13751	2.8
305.18063	0.6
317.17871	0.5
323.18939	0.8
335.18915	5.0
341.19772	0.6
353.19904	39.8
354.20227	0.7
371.20978	54.1
372.21289	0.6
389.22137	3.9
393.76779	0.5
394.22595	4.2
427.23608	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	487.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84266	1.7
52.37910	1.8
54.12793	1.8
56.96510	21.2
56.96746	2.5
59.18990	1.8
67.05403	2.5
71.95198	2.4
72.11827	1.9
81.06958	5.3
87.18095	1.8
91.05412	2.2
93.06999	2.2
98.19767	2.4
116.98600	2.2
121.10131	3.0
129.10323	2.2
146.99649	3.8
167.02153	2.3
199.06422	3.3
203.05867	3.4
211.97021	2.2
215.09544	2.5
217.07407	28.9
229.07356	3.3
231.08974	4.6
241.07401	25.2
247.08461	3.5
259.08487	52.0
277.09576	13.6
335.19040	17.3
353.19925	100.0
371.21021	41.4
399.29846	2.2
427.23550	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	488.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49933	11.4
69.03337	14.8
78.50047	11.5
80.07121	11.3
81.03304	13.8
82.46368	12.0
85.02824	18.9
86.05989	100.0
87.04401	81.2
87.39922	11.1
90.11090	10.7
97.02836	18.6
99.67385	13.3
109.02850	15.5
133.14398	14.9
146.09235	24.7
270.69702	14.5
290.13464	20.4
471.00912	16.0
488.18369	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33355	6.9
66.70277	5.7
69.03352	29.8
73.06335	9.3
85.02839	14.1
86.05989	98.7
87.04380	42.9
95.64127	5.6
97.02811	10.9
100.69821	5.8
109.02841	7.2
111.05527	14.1
113.06910	6.2
128.08159	12.4
146.09241	47.5
177.20673	6.5
180.78500	5.8
211.62646	7.0
290.13516	36.2
418.31662	6.3
488.18726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59696	0.6
55.05453	11.3
55.09240	0.6
56.04969	1.2
56.77035	0.6
56.96500	0.8
57.03363	3.1
57.14658	0.6
60.04453	1.2
61.02852	1.8
64.43441	0.7
67.05409	0.9
69.03348	7.5
69.06977	3.2
70.06509	14.5
71.04920	0.8
71.06857	0.6
72.08067	2.9
72.20497	0.7
73.02818	0.9
74.05961	0.8
79.05381	0.8
81.03324	3.0
83.06014	1.0
83.08538	32.6
84.04420	3.6
84.08060	6.1
85.02335	1.4
85.02829	29.4
85.48975	0.6
86.05975	0.8
86.09635	3.3
87.04389	1.0
87.88844	0.7
91.05418	1.5
92.10896	1.7
93.06968	1.3
95.06007	0.9
96.04411	0.7
97.02822	8.2
99.04394	1.8
102.05507	0.7
105.03332	3.3
105.30399	0.7
106.02840	1.6
109.02846	3.3
110.07112	4.7
111.05521	7.5
111.08020	4.0
116.98546	1.1
120.04415	5.0
121.06483	1.3
123.05485	1.5
124.03928	2.9
125.05833	0.9
126.06580	4.4
127.03850	6.4
129.09100	18.3
129.10150	2.4
130.06496	3.1
132.04428	40.9
132.05424	1.4
133.05052	0.9
134.05986	10.5
136.07477	0.9
137.04665	3.0
145.04945	4.7
146.02341	0.8
147.10126	4.4
151.06134	17.6
157.07556	1.2
158.05957	1.5
159.05486	0.9
163.05994	1.0
194.06683	9.0
195.07474	1.2
202.09799	3.0
203.08107	1.3
208.08243	0.8
230.09203	1.1
232.10873	1.2
242.09254	9.2
257.10321	8.6
259.11835	16.6
284.11438	3.7
285.10077	0.9
302.12451	30.6
303.12637	1.2
327.11780	5.2
345.13000	100.0
346.13333	4.5
414.30417	0.8
488.18796	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	488.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	0.5
53.03888	2.6
55.01810	3.1
55.05451	5.7
56.04976	0.3
56.19747	0.2
56.96505	0.2
57.03374	5.4
59.04930	1.6
61.02855	10.0
61.06400	0.3
63.15542	0.3
67.05412	0.3
69.03352	18.7
69.06962	0.5
69.36300	0.3
70.06508	6.7
71.01276	0.3
71.04905	3.0
71.06030	0.3
72.08070	0.6
73.02820	3.9
74.05975	0.6
77.54103	0.3
78.15479	0.3
81.03340	8.2
81.06954	0.3
83.01235	0.6
83.04885	0.4
83.08543	15.4
84.04424	1.9
84.08066	1.7
84.08858	0.4
85.02828	100.0
86.03164	0.5
86.06042	0.3
86.09624	1.5
87.04401	2.5
91.03864	3.8
95.04947	0.3
95.06024	0.3
97.02823	27.8
98.97527	0.3
99.04391	4.9
101.02306	0.5
101.09597	12.0
101.10256	0.6
103.03899	0.5
105.07025	0.3
106.02863	0.3
109.02832	8.8
110.07134	1.2
112.08660	0.4
115.03860	0.5
115.08680	0.3
119.10655	1.2
120.08050	0.6
124.03905	0.4
127.03875	21.4
129.09157	0.3
129.10207	0.3
141.01852	0.3
145.04939	26.5
147.04338	0.3
147.10139	3.3
163.05989	8.7
165.11235	0.3
191.08206	1.5
192.08554	0.5
231.34572	0.3
237.02737	0.6
309.15372	2.8
326.14395	0.3
479.73352	0.3
492.55429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98484	1.3
53.03895	1.5
54.82446	1.8
55.01818	2.5
55.05450	11.1
56.04971	4.5
56.96487	2.0
57.02112	1.3
57.03379	3.7
60.04451	46.8
61.17430	1.7
64.13253	1.5
65.91166	1.7
68.04947	1.8
69.03336	4.3
69.06995	12.3
70.02863	2.1
70.06508	100.0
71.04891	9.1
72.08049	16.9
73.02828	1.6
73.51842	1.6
74.05977	3.1
78.88857	1.8
81.03351	3.0
83.08543	27.6
84.04420	13.1
84.08060	23.3
84.28388	1.6
85.02836	23.4
85.07578	2.7
86.09132	3.5
86.09624	47.8
87.05498	2.6
88.03920	3.3
91.05396	2.7
93.06964	8.4
95.04899	3.9
95.05988	15.9
97.02814	7.1
98.05973	2.5
99.04392	2.2
102.05454	2.6
105.01768	2.1
105.06561	9.3
107.08501	2.1
109.02847	7.2
110.07109	19.2
111.08022	10.0
112.08667	13.9
113.07107	7.7
114.05507	1.9
115.08653	21.2
119.04877	2.0
120.08008	1.9
121.06438	6.8
127.03898	4.3
129.09076	15.2
129.10184	12.3
130.06477	2.4
136.07576	3.5
138.06572	3.8
139.08647	2.0
145.04941	3.5
147.04390	2.9
147.10115	3.9
149.09619	3.0
150.05417	2.7
155.08121	2.2
159.11227	2.3
171.58122	2.2
185.09184	2.9
205.12215	3.8
209.10304	4.1
223.13327	3.1
225.16862	2.5
227.11363	37.6
237.02850	2.4
244.13921	9.3
245.18625	3.3
262.15024	11.5
266.72885	1.9
268.08127	1.8
315.20328	2.1
375.23355	7.7
488.31824	80.1
489.19235	3.0
489.32031	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	489.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53114	1.7
53.05602	1.8
55.05444	5.0
56.04957	2.0
57.06999	2.7
59.04921	2.7
60.04456	2.5
67.05418	3.0
69.03339	32.6
69.06983	18.6
70.06507	39.2
71.04894	3.0
72.08052	5.0
74.50153	1.8
81.03323	14.0
81.06962	11.4
82.16627	2.0
83.04903	13.9
83.08514	9.5
84.04415	4.2
84.08051	11.6
85.02825	19.4
85.06416	5.3
86.09608	11.4
87.00769	4.4
87.04393	8.7
88.03912	2.1
89.83940	2.2
91.05408	4.5
93.06953	21.0
95.04857	2.6
95.08521	18.0
97.02795	9.2
97.06452	5.0
99.04351	2.9
101.05939	9.7
105.01786	3.9
105.06944	3.3
107.08528	12.4
109.02794	9.8
109.10104	4.1
110.07103	9.8
111.08026	18.9
115.03881	3.9
115.07567	2.7
119.08475	3.5
121.10034	4.3
124.03915	5.7
127.03869	10.2
129.05426	13.2
129.09071	13.5
129.10094	5.1
133.10092	4.7
135.08061	3.8
135.11620	4.0
136.07555	3.0
139.07509	5.5
143.07010	3.9
143.43788	2.3
149.13242	4.4
151.11145	2.5
157.08559	14.3
159.02843	2.7
159.11618	5.3
174.63451	2.0
175.91325	2.0
177.12721	10.5
181.05090	2.2
195.13791	9.7
241.14265	100.0
244.87753	2.5
269.35208	2.1
310.99661	2.3
489.30566	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	489.3189
Annotation	Ser Val Lys Arg
Peak:m/z	Relative Intensity
57.07002	2.2
60.36754	1.7
63.09970	2.2
67.05421	3.6
71.69989	2.3
79.05410	2.6
81.06965	3.2
89.05934	3.3
90.60877	2.3
92.10848	2.4
93.06969	3.6
105.06976	3.1
107.08532	3.3
134.38188	2.5
135.11678	2.2
136.06158	3.2
157.61481	2.2
208.55280	2.2
237.58696	2.2
251.43913	2.1
284.55292	2.3
320.83334	2.3
423.16287	2.5
488.36084	13.0
489.31540	100.0
490.32156	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	490.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36541	0.2
54.09983	0.3
56.04972	3.5
68.04942	0.3
72.55638	0.3
74.02350	0.6
84.04427	100.0
84.08080	1.9
85.02843	2.2
85.04755	1.4
88.03909	0.4
92.10854	0.3
101.07108	0.5
102.05478	35.1
102.09102	0.6
118.08601	0.4
130.04967	41.2
130.08626	1.5
131.05333	1.6
147.07617	3.6
147.11273	0.5
148.06023	55.1
149.06383	0.4
154.77002	0.3
202.08224	0.4
214.05643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65933	0.1
53.03860	0.2
63.80771	0.1
69.03352	0.6
70.06551	0.1
72.08093	0.2
76.56100	0.2
76.83795	0.2
79.05396	0.3
84.04429	0.7
85.02831	0.9
86.09629	0.2
87.03140	0.2
88.31448	0.1
91.05398	0.8
93.06971	1.1
95.04905	0.2
96.79579	0.1
97.02831	0.6
102.97198	0.2
103.05404	5.7
107.04926	1.7
120.08064	100.0
121.08388	2.0
127.03922	0.2
127.04969	0.6
130.04967	0.3
131.04913	2.6
132.08038	0.6
143.05785	0.2
145.02844	0.6
149.05962	1.9
161.42790	0.1
166.08606	23.2
167.08984	0.3
177.05493	0.9
179.56537	0.2
244.09615	0.2
282.00116	0.2
292.11795	0.8
310.12878	1.2
472.17950	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	8.5
53.19714	1.2
54.81482	1.6
55.01805	2.3
55.05440	2.7
56.04948	1.9
57.03365	2.8
61.02854	2.1
67.05417	2.9
69.03343	17.3
69.06971	3.1
70.06527	14.5
71.04888	2.8
73.02826	2.7
78.70185	1.4
79.05413	2.0
80.01335	1.4
81.03338	19.0
81.06982	2.6
83.04879	6.4
83.08488	1.8
84.08053	6.0
85.02823	42.7
85.06461	3.8
86.09608	8.7
87.00758	19.2
91.05394	8.9
93.06960	1.7
95.08528	10.4
97.02820	22.2
98.97501	1.8
99.04375	9.3
102.77351	1.6
105.01804	10.1
105.06982	2.9
106.02840	1.9
107.08525	3.2
109.02847	13.9
109.06466	100.0
110.07178	1.8
110.45589	1.5
117.03332	6.3
119.08506	8.3
121.10084	3.5
123.08009	19.4
124.03922	2.7
127.03876	17.6
129.01790	1.8
129.10208	3.2
131.04913	2.8
131.08534	9.2
133.06520	1.5
135.11627	5.7
137.09583	1.8
145.02832	13.7
145.04929	9.1
147.04408	2.3
147.11687	5.8
149.09587	14.2
151.07532	2.8
159.02869	2.1
161.13231	8.7
165.12701	1.8
171.74310	1.9
177.05435	20.5
183.47523	1.8
189.12749	12.8
207.13745	49.5
231.05037	2.6
370.41513	1.9
439.11945	1.9
491.30115	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	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	2.0
55.01810	1.9
55.05452	4.4
56.96509	1.0
57.03373	1.6
57.07020	1.0
61.02861	1.4
63.05052	0.8
64.62737	0.8
67.05423	4.5
68.30889	0.8
69.03352	10.9
69.06995	1.3
70.06508	9.1
71.04911	1.6
72.08074	4.4
73.02824	1.4
79.05413	1.2
81.03336	10.4
81.06989	13.1
83.04891	1.5
84.04434	1.9
84.08065	4.8
85.02830	60.1
85.06479	0.9
86.09626	3.5
87.00734	7.7
87.04414	1.0
91.05411	6.9
93.06981	5.6
95.04900	2.1
95.08525	9.0
97.02827	8.5
99.04379	4.4
103.05376	0.9
105.01801	3.4
105.06979	20.4
107.08527	7.2
109.02843	7.4
109.06479	5.2
109.10114	5.8
110.07123	2.0
116.98636	1.0
117.01830	0.9
117.06987	1.8
119.08540	31.4
121.10122	7.1
123.08037	4.3
123.11660	28.7
123.46666	0.8
124.03924	3.5
125.05932	1.0
125.09605	0.9
127.03859	10.1
129.06946	1.2
129.10207	1.5
130.07793	1.7
131.08533	5.5
133.06451	9.1
133.10101	1.8
137.09621	4.4
141.07037	1.1
143.08553	2.1
145.04922	1.6
145.10097	26.5
147.04387	0.9
147.08047	4.1
147.11665	37.3
149.09590	6.2
151.07541	1.6
156.09288	9.7
159.02905	2.1
159.07986	4.6
159.11546	1.0
160.08829	1.2
165.12767	1.4
167.10683	1.4
171.11647	6.8
174.10356	1.7
181.04944	1.5
189.12704	100.0
190.12950	1.7
207.13789	26.7
225.14812	6.1
231.04988	1.2
277.14584	1.0
362.53485	1.0
443.30359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	1.7
56.04982	2.3
57.03390	0.6
58.06538	100.0
59.06879	0.4
62.79275	0.3
66.19955	0.3
67.05433	4.7
69.06986	1.6
76.07556	3.1
79.05418	2.8
81.06969	4.4
83.08530	0.5
91.05417	1.5
93.06988	3.7
95.04882	0.3
95.08524	3.2
105.07000	1.5
107.08559	1.7
109.10139	1.3
114.36105	0.3
119.08552	0.7
121.10115	1.3
126.43604	0.3
130.00912	0.3
131.08623	0.5
133.10085	0.5
145.10152	0.3
149.13434	0.4
163.86391	0.3
211.42790	0.3
223.45123	0.3
230.07999	0.3
294.33029	0.3
335.25797	10.4
336.26199	0.6
472.28345	1.4
490.28970	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	490.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	2.2
55.01804	3.2
55.05188	2.6
55.05452	78.9
56.09173	1.5
57.03372	28.7
57.06734	3.4
57.07011	91.6
60.73989	1.4
66.55537	1.9
67.05429	32.9
69.03314	1.7
69.06990	26.2
71.08181	3.1
71.08549	57.1
79.05397	32.3
81.06981	47.0
82.74084	1.7
83.04895	3.0
83.08540	44.1
85.10107	30.5
89.05937	2.0
90.91373	1.7
91.05441	2.9
93.06990	3.3
95.08540	38.2
97.10106	45.9
97.49770	1.8
107.08533	19.8
109.10102	23.7
118.47481	1.8
122.83574	2.0
123.11680	8.2
125.09575	29.7
128.48624	1.6
143.10637	3.2
199.13187	3.3
217.14337	45.7
230.08139	2.0
239.23624	10.6
313.23654	2.4
313.27304	62.9
314.27371	2.3
449.33856	2.3
455.37228	100.0
456.37454	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	491.187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39369	0.3
55.85268	0.3
58.76810	0.4
61.02851	0.6
61.79771	0.3
69.03345	1.6
70.06502	0.8
73.98870	0.4
76.02116	0.4
81.03326	0.5
85.02824	5.7
97.02810	1.9
99.58601	0.3
104.04924	0.7
127.03862	0.7
130.78049	0.4
132.04414	100.0
133.04749	2.5
145.04947	1.5
150.05475	11.9
150.96164	0.4
177.02031	0.4
189.20154	0.4
262.94592	0.4
491.13644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01797	0.3
56.55083	0.1
57.03366	0.4
61.02850	0.4
69.03352	1.3
73.02864	0.2
74.75454	0.2
75.30315	0.1
81.03334	0.3
84.95948	0.2
85.02829	5.5
87.04366	0.2
94.19762	0.1
94.95238	0.2
97.02824	1.6
104.04937	1.6
109.02850	0.3
110.05989	2.1
127.03881	1.1
127.13495	0.1
132.04414	100.0
133.04756	2.7
135.64561	0.2
139.05075	0.2
145.04926	1.4
150.05475	11.5
151.05856	0.2
161.29010	0.2
163.06004	0.3
168.06482	1.2
190.16780	0.2
194.76369	0.2
205.21289	0.2
329.50516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05162	0.3
52.24419	0.3
55.01800	0.3
55.25817	0.3
55.95844	0.3
57.19580	0.3
61.02841	0.4
69.03337	0.8
69.74668	0.3
85.02823	6.2
90.96932	0.4
92.10835	0.4
97.02827	1.6
104.04924	0.7
109.02854	0.6
110.05968	1.5
111.50831	0.3
120.04409	2.1
121.04714	0.5
123.76521	0.3
127.03880	0.4
132.04410	100.0
133.04732	1.8
138.06570	0.5
145.04935	0.9
150.05466	12.8
168.06517	0.7
219.01198	0.4
237.02858	0.5
473.16028	0.6
491.17865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	2.0
55.05218	1.9
55.05449	30.0
56.72319	1.2
57.03149	1.0
57.03373	18.1
57.07005	3.6
58.06539	1.8
60.27074	1.1
62.34024	1.3
65.03868	1.5
67.05076	2.7
67.05427	78.1
67.71112	1.4
68.75726	1.3
69.06988	27.4
70.68945	1.3
71.08549	2.8
79.05405	20.4
81.06973	78.1
83.04891	2.3
83.08543	12.4
85.06456	2.3
86.42268	1.2
89.40212	1.5
91.05396	16.7
92.10828	2.0
93.06480	1.7
93.06971	20.1
93.12370	1.3
94.58517	1.6
95.08528	55.6
97.01110	1.3
97.06462	2.5
97.10040	2.1
98.98398	100.0
105.06963	9.5
107.08527	11.9
109.10107	22.5
116.13126	1.3
116.99427	2.6
118.64713	1.4
119.08529	7.7
121.10083	11.1
123.11640	3.5
133.10086	7.8
135.11633	5.6
136.99933	3.0
137.09552	1.5
147.11717	3.2
155.01001	61.5
172.23167	1.5
175.14743	1.8
245.22629	3.5
263.23581	6.5
296.33371	1.5
319.26138	1.5
337.27292	76.3
338.27637	2.1
361.09595	1.5
456.59912	1.6
473.26242	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	491.2988
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
50.52286	0.4
70.06522	0.9
76.55938	0.5
81.86678	0.4
85.02843	0.4
91.81107	0.4
158.21877	0.4
249.03711	0.4
474.95737	0.4
491.29868	100.0
492.30206	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	491.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03360	1.4
59.06043	1.3
60.04439	1.0
60.05591	0.8
61.02851	1.2
69.03345	6.7
70.06510	13.8
71.04944	0.6
72.08067	1.0
81.03342	3.5
81.06992	0.9
83.06094	0.5
84.04427	0.8
84.08076	4.3
85.02826	23.3
86.09615	2.4
87.04379	0.6
88.03921	0.5
91.05404	35.9
92.05752	0.7
93.06965	0.8
95.08542	1.4
97.02824	5.7
99.04366	0.8
103.03891	0.9
105.06976	4.8
106.02862	0.8
107.08530	3.1
108.08909	0.7
109.02859	3.4
110.07110	1.4
112.08672	0.8
116.98586	0.6
117.06921	0.7
119.08530	2.4
121.10117	1.0
124.03909	1.5
127.03893	4.4
129.10214	1.3
131.08528	11.0
131.09430	0.8
132.08913	0.7
133.10112	2.5
136.07538	0.8
145.02895	0.8
145.04961	2.7
147.11676	4.1
149.09586	11.7
163.05998	0.9
167.43776	0.7
173.13211	0.6
176.89275	0.6
177.05475	2.6
191.14278	1.3
260.63837	0.7
379.07709	0.6
491.31955	100.0
492.32205	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	492.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24031	1.3
56.04981	1.3
57.03365	1.4
60.05579	67.4
62.77053	1.3
69.00829	8.1
70.06477	1.4
84.04425	2.7
85.02833	2.6
86.03474	67.2
90.62162	1.5
95.45018	1.5
101.59844	1.4
113.07067	2.4
117.88544	1.5
118.27219	1.3
120.04410	21.6
130.06416	1.6
132.04399	7.2
141.06573	33.3
153.84421	1.4
158.05957	2.7
174.07834	10.8
206.06821	15.3
206.09819	1.5
230.09143	12.5
232.10689	13.3
258.08679	62.9
260.10168	19.4
278.11304	100.0
279.11606	2.3
286.08154	53.9
287.08694	2.2
390.01553	1.7
407.15579	45.4
433.13522	2.0
491.29984	1.5
492.18646	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	492.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00239	0.9
53.03869	1.4
54.82029	0.8
55.01803	0.5
55.05447	23.9
57.03100	0.7
57.03369	15.1
57.06995	3.4
58.06528	35.7
58.07308	0.5
59.54221	0.6
65.03846	0.9
67.05421	48.1
69.06985	26.4
71.04890	0.9
71.08532	1.0
79.05401	13.2
81.06969	49.0
82.07289	1.0
83.04893	1.0
83.08533	13.0
85.06467	1.1
91.05399	9.4
93.06969	12.1
95.08529	34.0
96.08846	0.9
97.06462	3.2
97.10077	5.2
98.98378	4.6
105.06976	5.5
107.08531	5.5
109.10104	12.1
111.08011	0.8
119.08514	3.9
121.10069	3.9
123.11614	4.7
133.10065	4.0
135.11644	3.0
137.13243	2.8
146.87624	0.6
147.11690	2.7
155.01015	2.6
156.04192	3.8
161.13205	0.9
213.79985	0.7
258.46085	0.6
263.23541	1.0
337.27280	100.0
338.27573	8.0
516.92206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19874	0.5
55.05446	1.4
56.04974	1.5
57.03372	0.8
58.06535	100.0
67.05434	5.0
69.06979	3.0
76.07559	4.3
79.05406	1.1
81.06970	5.2
92.10230	1.3
93.06952	1.4
95.08553	2.4
151.73772	0.6
155.77673	0.6
157.44962	0.6
160.23413	0.7
177.72792	0.7
269.08301	0.7
296.97549	0.8
337.27295	14.8
492.30566	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	492.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98502	0.6
55.05442	4.6
58.06528	0.8
60.08096	28.1
67.05415	6.7
67.69062	0.7
69.06972	2.5
71.07289	10.1
77.72376	0.6
79.05409	2.7
81.06987	5.7
83.04923	0.8
83.08529	1.0
86.09627	84.3
91.05413	1.3
93.06971	0.9
95.08528	3.8
97.10088	0.7
97.88652	0.8
98.98394	8.2
104.10682	100.0
105.06984	0.9
111.71623	0.7
124.99961	48.2
143.01077	1.2
184.07306	99.9
309.24149	1.3
316.70407	0.9
353.20059	1.7
371.21133	1.1
406.86206	0.8
474.29810	6.6
492.30777	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	493.133
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
52.11296	0.2
54.42459	0.2
74.44849	0.2
74.75197	0.2
75.13123	0.2
81.74217	0.2
88.03418	0.2
89.63671	0.2
103.92509	0.2
113.51385	0.2
121.56996	0.2
124.03870	0.2
132.22763	0.2
153.01796	0.5
154.02596	0.4
178.02545	0.7
183.85300	0.2
191.62073	0.2
242.05663	2.9
255.02594	0.2
258.05176	2.2
270.05151	12.2
271.05594	0.8
273.03796	1.9
285.03809	0.3
286.04605	2.2
287.05450	6.7
298.04724	0.2
299.05545	1.0
301.03336	2.8
302.04135	4.4
305.53464	0.2
313.03333	0.8
315.04929	51.0
316.05600	7.3
331.08054	100.0
332.08350	4.9
338.98462	0.2
493.13214	1.0
499.11688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40723	1.5
55.05437	8.9
56.04969	4.0
57.03369	8.8
58.54433	1.3
61.02885	2.4
69.03334	11.2
69.06993	2.5
70.06509	42.6
71.04910	29.9
72.08065	28.5
73.02840	1.7
73.05907	1.7
73.08407	1.9
76.02142	1.9
81.03315	2.1
83.04901	3.3
83.06033	2.0
84.04430	39.0
84.08072	29.3
85.02831	42.3
86.09628	23.9
91.05405	3.8
93.24427	1.7
95.04878	3.0
97.02855	4.4
97.77758	2.0
98.02303	2.1
99.04375	2.8
102.05473	9.3
107.04874	2.5
109.06475	2.3
110.03581	3.0
110.07121	12.2
112.08653	3.0
116.98608	1.9
117.03331	1.8
117.56905	1.7
119.04856	2.5
120.08116	2.0
121.10125	1.9
124.03900	4.5
125.05961	18.0
125.09637	2.0
127.03892	2.6
127.08636	2.5
129.05475	2.7
129.10196	14.2
130.04984	9.5
132.46848	1.8
136.07552	10.0
139.03870	6.2
143.00095	2.0
145.02866	2.7
148.06027	8.6
153.05441	30.6
154.06274	14.2
166.11945	1.9
169.04964	7.2
170.05667	7.7
177.05493	7.0
178.06049	2.1
185.08011	31.7
225.09772	3.8
230.12776	2.0
237.02827	2.3
242.59363	1.9
245.05414	1.6
275.07385	2.8
305.08417	15.0
347.09473	11.9
365.10501	40.7
400.48761	2.1
454.16632	1.7
493.11517	3.3
493.18741	100.0
494.19095	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	493.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	2.5
56.04969	1.6
57.03365	1.1
67.05434	1.1
69.03330	1.8
69.06993	1.3
69.10825	1.1
70.06510	23.2
72.08053	8.9
76.02185	1.8
76.23222	1.1
76.56273	1.1
79.05414	1.5
80.69466	1.2
81.03324	1.4
81.06968	1.6
82.05261	1.5
83.04851	1.1
84.04430	7.9
84.08082	8.7
85.02834	6.6
85.06475	1.1
86.09632	7.0
91.05419	2.4
95.08504	1.3
97.02818	2.6
103.92159	1.2
104.09660	1.2
105.06932	1.5
107.04895	1.4
107.08491	1.7
109.06483	1.3
110.07118	4.7
114.37134	1.3
120.08074	1.9
121.10126	1.6
124.03888	1.5
129.10249	2.4
136.07556	2.5
146.05873	1.2
147.04428	2.3
147.11646	2.3
148.06032	1.4
153.10234	1.5
189.12793	1.2
222.11836	1.2
243.04979	1.2
275.07364	2.2
282.40619	1.2
293.98419	1.5
305.08395	16.5
306.00586	1.3
331.13440	1.4
347.09427	16.2
365.10507	38.8
493.18826	100.0
494.18979	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	493.1917
Annotation	Diospyrososide
Peak:m/z	Relative Intensity
53.03876	1.6
54.33935	0.7
54.81718	0.8
55.01804	1.5
55.05447	1.9
57.03368	17.7
61.02844	1.0
64.01030	0.8
66.92626	0.9
67.05407	1.6
69.03346	19.7
70.06506	17.5
70.92848	0.8
71.04907	87.1
72.05207	0.7
72.08070	2.0
73.02818	3.8
74.05977	1.3
75.04400	7.0
75.76388	0.8
79.05398	1.0
81.03326	1.8
81.06967	1.1
83.04903	13.2
84.04420	5.5
84.08073	7.1
85.02826	100.0
85.06507	1.2
86.03181	1.4
86.09625	1.7
87.04398	2.2
91.05424	1.5
95.01256	1.4
95.04905	4.6
95.26067	0.9
97.02836	5.1
97.17740	0.8
97.26443	0.8
99.04385	2.0
103.03883	1.5
106.02849	1.4
109.02829	4.8
109.06453	0.9
110.03612	4.5
110.07098	5.2
111.04391	5.6
120.08047	1.0
121.06483	1.3
123.04337	1.2
124.03912	2.1
125.05947	19.1
127.03859	5.7
129.05434	18.7
129.10184	3.6
139.01703	1.0
139.03897	2.0
141.05428	5.1
145.04945	1.4
147.06496	4.4
151.03870	1.3
151.07454	0.9
153.05440	41.5
153.06650	1.7
154.06223	12.4
155.03371	2.1
166.06245	3.9
167.06949	5.1
169.04965	7.6
170.05716	24.5
178.06253	6.6
179.03384	1.6
181.08426	1.2
182.05670	6.8
184.07277	7.2
185.08046	56.5
191.06891	1.0
192.07678	1.3
194.05737	6.0
197.08075	10.7
206.05692	1.4
207.06482	1.1
208.07130	1.5
209.08054	6.1
219.06416	1.2
220.07375	1.7
221.08017	3.6
227.09161	4.7
236.06721	1.5
237.07541	3.5
251.09097	5.6
263.09381	0.9
277.10666	7.5
295.11774	4.9
311.11252	1.9
313.13049	1.3
337.62067	1.0
378.14850	1.0
389.08032	1.2
493.18396	2.2
508.88419	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57547	0.4
54.05344	0.5
55.05446	4.7
57.07006	0.4
57.86329	0.4
67.05416	0.9
69.06997	0.6
72.08070	50.6
80.46681	0.5
86.09614	1.4
91.05415	0.8
93.06978	0.7
95.08579	0.6
103.05403	1.2
104.10664	1.4
107.08537	0.7
108.61554	0.5
112.11936	0.6
115.74866	0.6
119.08580	0.7
120.08059	100.0
121.08424	0.6
124.99937	1.0
133.10042	1.0
162.03529	0.6
171.14923	5.3
174.12712	3.0
184.07246	2.5
199.14400	2.8
219.14893	11.9
222.12689	0.9
247.14359	8.7
267.14832	7.3
270.10028	0.6
295.14349	6.0
301.19174	1.0
346.21039	4.2
349.18759	0.9
394.21155	5.0
404.71066	0.6
488.94284	0.7
493.29578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99939	0.6
53.00240	4.0
55.01791	0.7
55.05454	17.2
56.96518	0.9
57.03375	9.2
57.07014	100.0
58.46196	0.6
61.02854	5.2
62.34649	0.6
62.98195	1.1
65.03854	0.6
67.05428	25.4
69.03342	1.4
69.06990	16.4
70.02346	0.7
71.08548	64.4
73.02837	1.5
75.04395	1.8
75.43855	0.8
79.05409	1.7
81.06977	31.8
83.08540	20.5
83.31604	0.7
85.02835	4.1
85.10104	31.7
93.06982	3.2
95.08537	44.5
97.02810	1.5
97.10104	7.7
98.98402	3.8
99.08020	1.2
99.11675	1.3
100.73173	0.7
103.07493	0.9
105.07069	1.1
107.08562	1.5
109.10110	18.6
121.10086	1.3
123.11694	5.9
124.93706	1.9
125.13181	0.7
129.06944	0.8
131.00186	0.8
137.13251	1.8
149.01201	3.6
155.00960	1.6
156.96356	0.8
167.02272	1.8
177.00584	1.5
239.23647	23.6
257.24649	3.2
313.27316	62.5
314.27783	2.8
331.28467	2.9
339.28784	3.0
347.17041	3.0
354.40399	1.0
493.22446	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	493.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29528	4.8
55.05435	24.1
57.06768	6.2
57.07017	96.8
58.27663	5.3
63.02502	5.1
64.93639	4.9
66.88324	5.3
67.05420	31.5
67.16850	5.3
69.06985	13.6
71.08550	85.6
81.06969	31.3
83.08550	10.8
85.10094	39.2
89.05973	5.7
92.10190	11.2
95.08540	45.8
109.10106	28.7
123.11610	5.8
137.13193	6.8
148.12592	6.4
193.51692	5.5
195.35770	6.8
211.88597	5.6
230.44455	6.6
239.23561	21.5
268.44824	6.1
311.95605	7.1
313.27316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93504	2.6
54.81920	2.7
55.05443	14.1
57.03362	12.6
57.07008	100.0
67.05424	27.7
69.06979	15.7
70.06502	4.0
71.04921	3.2
71.08544	63.4
72.08067	5.1
81.06979	36.0
83.08518	19.4
85.10110	31.6
93.06951	5.5
95.08528	43.8
97.10102	11.2
109.10099	20.2
123.11684	6.7
239.23619	21.2
313.27277	77.8
430.63977	3.1
451.81506	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	494.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10073	0.7
53.03881	1.2
55.01777	0.7
57.03366	1.6
61.02857	1.7
62.70852	0.6
67.05416	3.5
69.03353	13.4
71.04908	1.0
73.02824	1.1
79.05419	0.9
81.03330	5.8
81.06985	0.8
85.02832	17.9
87.04372	1.1
89.63258	0.8
92.04910	1.3
96.08046	3.1
97.02828	6.1
99.04340	1.2
106.06496	10.6
108.08064	90.6
109.02847	1.9
112.56947	1.0
123.04379	0.8
123.06740	5.4
124.07547	18.4
127.03883	3.1
133.36951	0.8
134.05983	27.3
136.07553	21.1
145.04938	0.9
152.07047	100.0
152.37045	0.8
153.07594	0.9
154.08615	1.3
165.05545	1.3
170.08092	26.7
182.08075	1.6
314.12265	18.3
332.13342	25.2
375.08307	0.9
476.17676	4.3
494.18631	53.9
495.18866	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	494.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03847	0.3
54.31881	0.3
55.05437	0.7
56.04969	0.5
57.03357	0.6
57.06998	0.3
57.41105	0.3
60.08092	10.0
62.11034	0.3
66.37052	0.4
67.05413	1.5
69.06968	0.8
70.58707	0.3
71.07288	3.7
79.05397	0.5
81.06956	1.5
83.08574	1.2
86.09624	51.4
92.10931	1.1
93.06974	0.6
95.08528	0.7
98.98392	5.0
104.10696	4.0
107.08523	0.5
114.26458	0.3
119.08495	0.4
121.10101	0.4
124.99960	38.7
128.14828	0.3
143.01003	1.3
184.07298	100.0
185.07573	0.4
288.09875	0.4
336.97717	0.4
471.18002	0.4
476.31601	0.6
494.32465	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	494.3238
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05450	3.8
56.04968	0.7
57.03368	0.9
57.06992	0.6
58.06519	0.9
59.07309	0.4
60.08096	24.3
67.05431	2.9
68.33956	0.4
69.06984	3.0
71.07295	10.2
79.05398	1.8
81.06981	3.5
83.08534	3.8
86.09631	74.9
87.09963	0.5
93.06963	0.8
95.08537	1.8
97.10122	0.7
98.98395	6.2
104.10683	94.8
107.08548	0.5
121.10082	0.8
124.99968	43.8
125.09631	0.4
143.00974	0.7
155.85580	0.4
160.52141	0.4
163.01575	1.5
184.07307	100.0
185.07668	0.6
258.11047	0.7
311.25751	1.5
399.76755	0.4
476.31256	5.4
494.32324	28.9
495.33063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3238
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
54.82417	1.4
55.05457	2.0
60.08098	25.0
60.15292	1.2
64.84470	1.3
66.40788	1.3
69.06986	3.5
70.18597	1.3
71.07290	10.1
71.45048	1.3
83.71622	1.6
86.09631	74.5
86.11957	1.6
93.06982	2.4
95.08524	2.2
98.98369	3.3
104.10678	91.7
104.11374	3.2
105.91716	1.6
124.99960	44.8
128.43379	1.5
184.07307	100.0
204.81895	1.5
208.61848	1.5
255.97021	1.6
266.54172	1.8
408.68350	1.6
471.37402	2.1
476.31223	6.3
494.32214	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3239
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05446	3.3
56.04966	0.9
57.03365	0.9
57.07016	0.9
58.06526	1.0
58.88429	0.5
60.08093	20.3
60.58975	0.5
67.05419	3.2
69.06990	2.7
69.37498	0.5
70.06499	0.5
70.21348	0.5
71.07289	9.2
71.11078	0.5
79.05413	2.1
81.06982	3.1
83.08530	2.3
86.09624	79.8
87.09919	0.8
93.06979	1.2
95.08523	2.4
98.98391	5.4
104.10677	100.0
109.10151	0.9
111.08037	0.6
121.10129	3.2
124.99960	46.5
127.91500	0.6
143.01048	0.7
145.75002	0.7
145.93388	0.6
165.74213	0.6
184.07306	96.8
222.99355	0.6
311.25833	0.8
322.27588	0.6
386.56577	0.7
433.92001	0.6
476.31351	6.8
494.32364	29.4
495.32700	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	3.7
56.04982	2.3
57.03372	1.0
57.07014	1.2
58.06535	100.0
59.06853	0.4
63.72062	0.3
67.05428	2.0
69.06994	4.4
71.08561	0.3
76.07555	3.1
79.05421	0.6
81.06990	2.2
83.08549	2.8
84.08040	0.3
90.90064	0.2
93.06995	1.3
95.08537	2.2
97.10110	1.1
107.08523	0.5
109.10128	0.8
110.24838	0.3
113.82132	0.3
121.10157	1.1
127.57607	0.3
135.11662	0.3
138.03136	0.3
230.08028	0.3
237.91206	0.3
298.78223	0.3
339.28891	14.7
404.38602	0.3
476.31253	1.2
494.32327	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	494.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73010	1.3
57.07006	9.2
58.06537	2.4
62.11850	1.4
62.43811	1.1
64.40023	1.2
64.83113	1.2
69.06962	1.7
70.06512	32.4
70.48410	1.2
72.08060	5.2
73.68141	1.2
81.06997	2.0
84.08081	5.8
86.09631	9.7
89.05944	3.4
92.10265	1.3
108.51813	1.2
114.09115	10.1
163.03815	2.7
176.12854	3.0
190.14388	2.0
192.93677	1.4
212.23732	3.4
234.16988	2.0
238.23087	1.4
238.25276	3.3
256.26257	1.6
262.87723	1.5
344.31509	58.6
388.34146	28.3
451.19983	1.6
494.40439	100.0
495.41034	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	495.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	1.1
55.78431	0.6
57.06997	1.0
57.20463	0.6
66.97727	0.5
67.05420	1.0
69.06977	0.7
71.08537	0.7
89.05954	1.6
95.08517	0.8
97.08006	0.6
107.08567	0.9
114.88290	0.7
183.09937	1.0
239.12637	0.8
495.36484	100.0
496.36783	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	496.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08770	1.8
54.70905	1.7
54.81694	2.0
56.05666	1.8
63.70993	1.9
70.06527	2.9
85.02851	4.1
155.07019	2.9
199.68546	2.3
219.48984	2.5
284.48535	2.6
334.08890	4.5
347.09116	2.4
480.39581	2.3
496.14218	100.0
497.14664	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82032	1.4
60.13955	0.9
63.79047	1.1
84.04460	1.5
85.02825	6.9
92.10851	1.2
92.64693	1.5
123.04349	2.4
137.05957	1.9
155.06989	8.9
201.03731	1.8
211.31421	1.2
233.78635	1.4
334.08868	10.6
347.09515	6.6
349.78445	1.3
365.10501	2.2
496.14191	100.0
497.14575	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	496.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81664	0.3
57.03384	0.4
57.07012	0.7
60.07814	0.7
60.08092	9.0
61.83537	0.4
71.07286	4.1
86.09626	48.3
98.98376	3.7
104.10659	4.8
124.99959	37.1
133.35799	0.4
143.00996	0.4
172.56236	0.4
184.07294	100.0
185.07555	0.5
348.88440	0.5
378.86768	0.4
406.59015	0.4
478.32547	0.6
496.33630	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	496.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07829	0.6
52.15084	0.6
52.18302	0.7
56.04982	1.0
57.07001	4.3
58.44044	0.7
60.08097	25.5
64.69242	0.7
71.07293	9.6
71.08537	3.4
75.68703	0.6
76.76645	0.7
77.09029	0.7
83.08525	0.7
85.84235	0.8
86.09628	74.1
92.10908	3.9
98.98388	6.3
104.10680	100.0
124.99967	42.2
129.85039	0.7
184.07309	90.4
258.11002	0.9
313.27228	1.6
344.24899	0.8
478.32837	5.3
496.22409	0.9
496.33899	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77173	0.1
54.28821	0.1
54.82202	0.1
59.35558	0.1
60.54735	0.1
64.33862	0.1
65.55978	0.1
74.09624	4.9
75.86794	0.1
75.97752	0.1
96.96840	0.6
100.29611	0.1
112.05217	0.1
124.08387	0.1
124.16553	0.1
130.06255	5.7
135.43535	0.1
151.95746	0.1
156.04185	100.0
157.04538	1.0
286.38513	0.2
523.05383	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20137	0.2
51.17290	0.2
56.14074	0.3
56.96504	0.4
79.05404	0.3
79.17216	0.3
84.04453	0.3
86.03828	0.3
91.05376	0.4
93.06956	0.7
94.45829	0.3
103.05400	6.8
107.04900	1.8
120.08061	100.0
121.08427	2.2
123.55384	0.3
127.05010	0.4
131.04922	3.0
136.06158	0.3
139.03899	1.5
146.69460	0.3
149.06000	1.4
153.34885	0.3
161.01274	0.4
165.26535	0.3
166.08609	23.0
167.08955	0.5
171.06531	0.5
205.85228	0.3
240.05464	0.4
315.79016	0.3
342.68323	0.4
492.34509	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51600	0.4
55.01814	0.5
55.05437	2.6
56.04966	1.1
57.03366	0.9
57.07006	0.8
57.19245	0.5
57.44773	0.4
58.06531	0.8
60.08094	24.4
67.05426	1.1
69.06978	3.4
69.92058	0.5
71.07291	7.6
71.08529	0.6
73.02810	0.5
79.05421	1.2
81.06982	1.1
83.08538	2.7
84.44524	0.5
86.09624	73.9
87.09970	0.8
93.06958	0.9
95.08536	1.2
97.06474	0.7
98.98398	5.5
104.10675	100.0
105.11015	1.1
107.08553	1.1
121.10101	0.9
124.99957	47.1
131.46042	0.6
143.01022	0.8
181.02646	0.6
184.07297	94.9
185.07645	1.3
258.10989	0.7
297.23956	0.6
375.34360	0.8
480.30780	6.8
498.31808	39.8
499.32028	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	498.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	5.5
57.03379	9.1
58.06537	52.2
59.07315	16.3
60.08094	14.3
65.03878	1.1
67.05425	15.5
69.06987	6.0
73.02838	1.2
75.04395	4.8
76.29365	1.0
79.05410	4.3
81.06965	14.3
83.08526	0.9
84.08075	1.0
85.02863	1.5
86.09613	1.7
87.04382	7.1
93.06979	2.3
95.08540	8.9
104.10687	3.8
105.06969	1.0
107.08546	1.2
109.10109	1.6
113.05924	1.3
120.56393	0.9
120.57323	1.1
125.00002	4.1
131.07005	1.2
144.10164	11.5
159.14566	1.0
162.11230	1.5
184.07329	4.1
236.14879	100.0
237.03586	1.0
237.15201	2.4
261.21884	0.9
331.47247	1.1
368.30774	1.2
480.36810	17.7
498.37869	83.5
499.38501	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	498.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	0.7
57.07016	0.6
67.05430	2.4
68.69063	0.3
69.06998	3.0
72.08064	0.4
72.90419	0.3
74.09633	100.0
75.09975	0.6
75.86404	0.3
79.05415	1.9
81.06977	10.5
81.72299	0.3
89.05962	2.2
93.06987	2.2
95.08524	4.0
105.07008	0.6
105.44763	0.3
107.08540	2.5
109.10126	2.4
121.10139	2.0
123.11647	0.6
127.73371	0.4
133.08647	0.5
135.11710	1.5
137.13329	0.4
149.13225	1.2
167.07021	5.7
177.09195	0.4
205.08588	0.4
233.11792	0.5
276.57391	0.4
390.21289	0.5
395.61063	0.4
403.35599	0.5
421.20291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.4
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18941	2.2
55.05444	2.4
57.07011	45.0
64.33691	2.5
69.06979	2.5
71.08556	20.1
73.06480	2.8
74.09629	3.2
79.05364	2.8
81.06935	3.5
85.10106	18.6
86.09607	5.7
87.04386	5.0
89.05957	100.0
95.08569	2.7
96.93913	2.9
97.10101	4.2
104.10637	3.5
132.04793	2.9
133.08574	30.9
139.89297	3.1
177.11270	4.6
184.07356	3.3
323.57950	2.7
327.20004	11.8
455.65262	3.3
472.39526	3.4
481.37119	21.6
498.35056	4.1
505.45694	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	499.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85996	1.3
51.22490	1.3
53.75978	1.1
56.96488	2.6
72.08041	1.4
77.00807	1.8
95.69584	1.5
97.02782	1.6
101.00819	7.8
103.02388	6.7
103.07842	1.5
108.36053	1.6
110.07101	1.6
113.00779	2.1
119.01018	2.0
119.01870	55.8
121.03421	7.5
127.02332	5.6
129.03937	1.8
131.01871	26.6
137.02943	17.6
143.01880	29.5
145.03441	81.7
146.03503	1.7
147.01410	5.7
147.04991	2.2
149.02977	11.5
152.96872	1.5
155.01863	34.6
157.03439	28.0
161.01427	1.8
161.02928	51.0
163.04468	17.8
167.01857	9.1
169.03412	6.6
171.01324	7.2
171.05022	2.7
173.02927	97.6
175.04486	12.8
179.01907	1.5
181.03340	1.7
183.01213	1.9
185.02927	78.9
186.03032	1.8
187.04495	15.5
189.02339	16.6
191.03951	7.1
196.04567	1.6
197.02921	25.5
199.00870	2.3
199.04475	7.1
201.02478	2.4
203.04001	29.7
209.02893	5.3
215.04008	16.6
215.15063	1.5
217.01894	52.9
218.02133	1.5
221.04991	12.2
227.04089	13.0
229.01909	12.2
235.02924	24.6
245.05017	100.0
246.05165	5.4
247.02943	9.6
253.03935	5.3
257.05051	11.0
263.06064	19.7
275.06097	13.5
277.03952	13.2
301.04001	7.9
305.07089	11.9
319.04965	20.0
337.06076	25.4
365.09244	10.9
499.11316	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	499.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41016	0.4
50.70681	0.4
51.14832	0.4
56.04956	0.7
57.03345	0.9
57.83067	0.4
60.04445	0.5
60.05552	1.8
65.84756	0.4
66.03959	0.4
69.03310	2.2
69.06977	0.6
70.06510	9.0
72.08070	7.6
73.02753	0.5
81.03316	0.8
81.06944	0.9
81.71407	0.4
83.04858	0.5
84.04405	3.0
84.08030	3.0
85.02838	3.5
86.09601	0.9
91.05403	13.4
92.10229	0.9
93.06920	0.5
95.04884	0.8
97.02789	2.3
97.06400	0.6
97.07570	2.1
97.08345	0.4
98.05975	0.8
109.02772	0.6
110.07085	2.2
114.10246	11.3
114.36906	0.4
115.08603	2.7
119.04893	22.2
120.05205	0.6
120.08019	2.0
121.02878	0.5
122.03648	0.7
124.03894	0.6
127.03891	0.9
129.10133	1.1
131.12868	3.7
132.02029	1.7
133.91103	0.6
136.05142	0.5
145.02812	1.9
147.04385	27.4
149.05824	0.6
154.91167	0.5
157.03976	0.9
157.10811	0.7
160.01483	6.8
162.03076	1.0
163.03801	0.7
164.04634	1.1
175.03870	62.5
176.04297	2.4
177.05379	0.6
178.02556	4.5
179.06975	8.8
192.04120	3.5
193.04950	2.7
207.06491	100.0
208.06799	2.5
237.02994	1.0
262.13083	0.7
277.15396	2.3
278.13739	3.5
303.13281	0.5
320.16086	3.1
337.18460	5.1
394.65302	0.5
499.23901	67.3
500.24335	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	500.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64998	3.3
55.01799	4.1
56.96499	5.6
58.99507	3.2
66.97525	4.1
67.05424	7.8
69.03334	7.4
70.06511	66.6
72.08056	16.4
74.00583	6.9
76.02164	4.3
79.05428	5.2
81.06970	19.6
83.06010	4.2
84.04423	23.1
84.08068	10.1
85.02813	29.7
86.00549	5.2
86.09602	7.4
87.05480	4.0
88.03922	8.1
90.76952	3.6
90.99558	4.2
91.05399	21.0
93.06977	5.9
95.04933	4.9
95.08492	13.4
97.02811	9.6
99.04414	4.3
101.98481	3.8
105.03317	26.1
105.06952	18.5
110.07108	24.1
115.02104	3.7
116.06981	4.0
116.98614	4.4
117.06941	4.5
119.04871	9.3
119.08479	4.3
119.43305	3.7
120.08054	4.5
124.03934	8.3
128.06996	5.4
129.10184	5.8
131.08490	9.2
132.01144	5.1
133.10074	15.4
141.07100	4.9
143.08508	7.5
144.08089	9.1
145.02832	5.1
145.10085	16.2
147.04388	22.7
149.01224	4.3
155.08539	16.2
157.10069	7.0
159.11563	6.0
161.13261	4.5
166.04942	15.5
167.08369	4.2
169.10097	9.1
171.11913	4.2
177.05405	14.6
183.11667	6.1
197.13202	24.4
201.03647	8.1
205.12204	5.0
209.13216	6.1
221.13185	9.8
223.14806	16.9
225.16374	6.5
237.02946	4.8
255.08182	6.1
255.17560	4.6
269.15234	7.8
273.13040	7.5
283.11093	16.1
284.11130	6.7
297.14615	4.9
301.09027	7.7
301.12305	45.5
311.10983	7.9
319.13470	8.1
329.11957	52.6
347.13004	23.4
375.12408	16.9
393.13553	100.0
436.17725	9.2
464.17349	53.5
482.18262	78.6
500.19846	33.0
500.26385	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	500.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81393	0.6
53.13754	0.7
55.05447	4.3
57.03176	0.7
57.03383	10.8
57.07018	1.6
58.06265	1.4
58.06539	33.6
58.06830	1.2
59.07318	13.0
59.79302	0.6
60.08103	11.9
61.02836	0.7
67.05429	3.1
69.06988	5.0
73.02831	1.2
73.13726	0.7
75.04393	4.8
79.05434	1.2
79.70942	0.7
81.06979	3.9
83.08547	3.8
85.02819	1.8
87.04398	5.5
92.91794	0.8
93.07014	1.0
95.08549	3.4
96.29189	0.8
98.73582	0.7
105.05453	1.3
107.08578	1.6
131.06969	1.1
144.10191	7.9
162.11267	3.1
169.67371	0.8
174.91690	0.8
236.14886	100.0
237.15297	1.7
355.24234	0.9
482.38217	12.1
483.38583	1.1
500.39398	50.9
501.39728	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	500.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70151	0.4
52.89819	0.4
55.05450	7.1
57.03377	8.4
57.07000	1.4
58.06536	47.5
59.07045	0.9
59.07315	15.1
60.08095	11.9
67.05422	3.8
69.06988	11.0
71.08537	0.7
72.02150	0.5
73.02840	0.8
75.04391	4.6
79.05408	2.5
81.06995	5.2
83.08549	5.2
84.08075	0.6
85.02830	3.1
87.04397	5.7
93.06973	3.1
95.08527	5.8
97.06479	0.7
97.10109	1.3
102.05533	0.5
103.03886	0.8
104.51082	0.5
107.06895	0.5
107.08524	1.0
109.10104	0.7
113.05916	0.6
119.39631	0.5
121.10111	1.1
131.07002	1.3
144.10172	9.6
154.69395	0.6
162.11221	2.2
236.14883	100.0
237.15257	4.0
305.04425	0.6
339.28751	1.0
482.38324	15.8
500.39389	72.0
501.39432	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	501.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	5.9
54.31177	2.1
55.01807	2.9
55.05447	13.7
65.03880	3.8
67.05434	30.4
69.03362	3.7
69.06991	16.5
70.06509	2.6
71.04905	13.6
71.30271	2.4
74.08715	2.4
79.05408	26.8
81.06973	78.8
83.04910	5.6
83.08544	4.6
84.08018	3.1
85.02821	3.1
85.06477	3.7
91.05399	15.0
93.06979	40.5
95.04285	3.7
95.04892	100.0
95.08535	31.3
97.06475	5.5
99.04402	16.8
103.03879	3.9
105.06960	19.4
107.08551	26.3
109.06465	81.6
109.10113	37.4
111.08014	3.7
119.08534	11.3
121.10069	23.1
123.11661	32.2
127.03889	5.3
131.08533	3.4
133.10100	19.7
135.08018	18.2
135.11705	6.6
137.09616	4.2
145.02817	3.1
145.10095	5.6
147.11679	11.1
159.11781	5.1
163.11130	3.5
165.12817	4.0
173.36133	2.9
175.31642	3.1
191.58824	2.9
216.06265	3.0
252.76953	3.1
262.77884	3.6
285.22092	3.3
303.23105	12.7
321.24286	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	501.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98903	0.5
57.48108	0.7
67.05438	0.9
70.06506	3.0
70.83625	0.7
79.25728	0.8
80.42147	0.7
88.93401	0.7
90.72656	0.8
95.08511	0.8
99.90330	0.8
115.67110	0.7
116.07042	3.7
116.08174	3.5
116.92864	0.8
131.24144	0.8
198.30634	0.8
278.41034	0.8
332.19345	0.8
501.37521	100.0
502.37827	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	502.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68774	3.0
53.07414	3.4
54.85045	4.0
56.04962	8.5
58.99530	4.5
59.50466	3.1
67.05724	3.7
69.03323	5.3
70.06509	91.2
72.08061	10.0
74.00581	8.6
74.05984	16.4
75.05481	3.7
76.02141	22.1
79.05417	5.5
81.03316	4.5
81.06941	6.6
83.06043	5.3
84.04412	37.9
84.08070	60.2
85.02821	20.8
86.09633	16.0
87.05506	20.8
88.03887	4.3
91.05411	33.6
92.10824	5.8
95.06011	5.3
97.01043	6.6
97.02796	8.4
98.97523	5.2
99.04466	4.4
102.05458	7.9
105.00009	5.7
108.92476	4.9
110.07120	74.2
111.02649	5.0
111.07465	5.7
112.08701	7.7
117.06973	5.7
119.04887	15.9
122.02666	32.5
122.07089	4.1
128.53857	3.8
129.06938	5.0
129.10185	32.4
130.06502	6.9
132.07980	4.6
136.06122	28.7
136.07538	45.2
143.08527	4.1
145.02805	9.5
146.99669	4.7
155.08449	5.3
159.07744	4.8
165.06950	4.7
166.07738	5.6
167.08536	20.7
168.09454	4.7
169.10085	6.5
171.07991	5.2
171.62531	3.9
173.04312	4.2
177.05458	21.5
179.08501	7.8
181.10069	25.1
183.08006	14.5
183.11620	5.0
184.19691	4.7
185.09592	5.5
186.37854	4.3
193.09958	6.1
193.73357	3.8
195.08052	31.6
196.08798	6.2
201.09306	4.0
207.11580	17.8
209.09575	19.2
209.13185	16.1
211.07495	17.4
213.09026	6.6
220.08865	4.2
225.09021	8.5
225.12764	19.6
229.12280	6.1
235.11070	9.9
237.02730	8.5
237.12613	16.4
239.10658	19.6
240.11404	4.7
241.12187	6.8
253.12190	30.5
255.13863	5.5
257.09906	5.6
265.04834	4.3
269.09897	7.6
271.07593	4.8
281.11612	18.1
285.09311	18.8
331.09958	5.6
349.11090	8.3
363.14246	15.3
395.11713	36.4
436.77451	4.6
461.23157	4.4
467.13602	21.1
484.16339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45239	0.4
53.00237	0.6
54.20781	0.4
55.05455	4.8
56.22747	0.4
57.03375	8.1
57.07013	48.1
57.32273	0.4
67.05431	8.3
69.06989	6.4
71.08548	30.1
75.04398	0.5
79.05412	0.6
81.06974	11.1
83.08540	9.4
85.09630	0.8
85.10107	16.5
95.08530	15.5
97.10115	4.0
98.98397	38.5
99.11663	0.5
103.07467	0.5
109.10120	7.4
116.99429	0.8
123.11640	3.2
155.01018	15.6
173.02074	2.5
196.09836	0.4
212.32066	0.5
222.44597	0.5
239.23679	1.9
257.24753	0.7
301.76019	0.6
313.27310	100.0
314.27661	2.6
335.01996	0.5
393.23874	2.6
412.39307	0.5
449.26453	10.9
466.09201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00242	0.8
54.82554	0.7
55.01818	1.6
55.05452	9.5
57.03378	7.4
57.07013	17.1
60.05589	0.8
61.02857	1.5
61.99491	0.8
64.34304	0.9
67.05427	6.3
69.03359	8.1
69.06983	8.2
71.01257	1.5
71.04913	4.8
71.08551	3.8
73.02833	3.2
75.04435	0.8
79.05405	10.0
81.03348	1.5
81.06979	14.8
83.04910	4.3
83.08533	3.4
85.02834	7.6
85.06470	15.0
87.04403	1.3
87.08050	0.9
89.05969	4.0
91.05405	44.7
93.06979	7.2
95.04901	1.7
95.08548	4.1
97.06465	2.8
99.04372	1.6
99.08044	1.1
103.07526	1.0
104.06197	1.8
105.06973	8.0
107.04938	1.0
107.08546	3.8
109.06470	6.7
111.04401	1.5
111.08039	12.8
112.33611	0.7
114.40370	0.8
115.03872	1.1
117.06856	0.9
123.08038	1.1
125.09580	1.9
127.07502	9.6
128.77356	0.8
129.05457	0.7
129.09070	1.6
133.10094	100.0
135.08044	1.0
137.09572	0.8
147.08041	5.4
149.09590	38.8
153.09077	7.1
171.10138	11.0
173.43510	0.8
189.11160	10.3
197.14236	0.8
227.17538	0.8
301.67239	0.8
313.27362	0.9
337.20300	2.3
433.19168	5.3
451.19675	0.8
485.28967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10547	4.0
52.64399	4.1
54.82056	5.0
67.05425	11.8
71.07281	26.2
76.56857	5.0
81.02806	5.3
86.09633	100.0
95.08522	8.5
98.98416	6.8
124.99986	29.9
163.01517	23.9
184.07326	9.0
200.70665	5.3
239.73514	5.8
502.32697	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69777	1.0
60.04459	37.5
60.05587	2.3
68.04953	1.7
69.99607	1.3
70.06511	74.4
71.04922	2.6
72.08063	7.6
81.03315	1.5
84.04430	7.9
84.08057	10.1
85.02855	1.3
85.07581	6.5
86.09631	46.9
95.06040	15.7
96.04401	2.4
97.07580	1.7
98.05999	2.1
105.06571	8.5
106.02879	1.5
110.07121	2.9
112.08672	15.9
113.07083	6.0
115.04979	1.9
115.08653	16.9
116.98573	1.6
120.08067	2.4
124.03951	2.7
125.07098	1.4
129.10188	3.2
130.09883	1.4
133.92255	1.3
136.07602	1.4
138.06618	2.6
140.08221	1.6
146.11801	9.9
150.05487	2.8
151.04034	1.6
157.09691	2.8
185.09209	8.2
188.58849	1.6
209.10411	8.3
215.68948	1.4
225.17159	7.0
227.11365	43.0
244.14050	7.0
259.20233	1.8
305.16119	1.4
463.70914	1.8
502.33420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	12.2
57.03374	14.4
57.07009	41.0
59.04935	2.8
59.75280	1.6
67.05077	3.9
67.05425	100.0
69.06969	7.9
70.40442	1.9
71.08549	27.8
73.72609	2.0
79.05409	3.7
80.91351	1.6
81.06976	29.2
83.08540	17.4
85.06458	2.7
85.10101	12.6
89.05946	2.4
91.04845	1.9
91.05447	5.8
95.08540	18.6
97.10110	1.7
100.00996	1.9
107.08502	2.9
109.10100	86.7
111.07987	2.2
119.08543	7.7
120.83961	1.7
124.74512	2.0
159.84651	1.9
171.78535	1.6
173.11668	15.7
174.38713	1.8
178.05470	1.7
229.14285	38.9
313.27283	43.8
365.44815	2.0
375.98785	2.0
467.37250	73.7
468.37433	2.5
489.65762	2.3
502.37665	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	502.41
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05430	1.7
57.03373	8.2
57.07014	13.2
58.06535	50.2
59.07314	17.2
60.08095	14.0
63.62074	0.3
65.22578	0.3
65.53148	0.3
67.05418	3.2
69.06959	2.1
71.08189	0.4
71.08543	6.5
73.02808	0.4
75.04399	4.1
81.06982	3.6
83.08537	1.6
84.08047	0.5
85.02811	3.5
85.10084	3.5
87.04395	6.2
92.10242	0.9
95.08520	3.1
97.10080	0.8
101.40507	0.4
105.05448	0.7
109.10075	1.7
113.05901	0.5
115.65543	0.4
120.38078	0.4
131.06979	2.0
144.10172	10.9
162.11285	1.4
201.17442	0.4
212.14728	0.5
218.13844	0.9
236.14879	100.0
237.15205	2.1
237.34836	0.5
341.30481	0.9
427.07874	0.4
440.40826	1.0
455.03909	0.4
484.39883	16.6
485.40030	1.9
502.40930	71.2
503.34232	0.7
503.41116	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	503.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96038	1.2
53.03868	7.9
54.30322	1.3
55.01801	2.1
55.05429	6.2
56.96484	1.4
57.03357	2.1
62.61113	1.3
67.05395	2.0
69.03325	10.3
69.06971	2.4
70.06503	25.8
70.95342	1.4
71.04904	3.0
72.08050	2.1
73.02806	2.1
81.03333	16.2
81.06931	2.3
83.04893	17.6
83.28532	1.5
84.04398	2.6
84.08050	6.8
85.02823	41.4
86.09609	8.5
91.05389	8.5
93.06964	14.1
95.04897	3.4
95.08504	1.8
97.02821	18.2
99.04386	36.3
103.03875	28.5
105.06948	9.5
107.08533	40.2
109.02821	28.6
109.10036	2.0
110.07091	8.1
119.08518	6.6
120.08033	2.7
121.06409	1.6
122.77462	1.6
124.03873	2.5
127.03867	65.6
129.10118	1.8
133.10081	38.2
135.11659	31.8
137.09566	1.9
145.04932	13.1
151.11156	1.9
161.09602	18.1
163.05951	6.1
179.10629	66.1
179.12192	2.4
197.11688	100.0
225.39015	1.5
238.15480	1.6
289.09094	1.9
448.23227	1.5
467.19125	13.8
485.20389	2.2
512.49463	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94209	0.2
55.05454	1.6
56.04977	0.7
57.03365	0.6
57.05758	0.6
67.05429	4.1
69.06989	1.2
70.06509	3.4
72.08072	100.0
73.08406	0.5
79.05418	2.9
81.06971	3.2
82.53622	0.2
88.03896	1.9
90.09100	1.9
91.05409	1.8
93.06976	3.2
95.04917	0.4
95.08533	3.3
97.06533	0.4
105.06961	0.6
107.08559	1.4
107.40709	0.2
109.10142	0.6
119.08511	0.9
121.10130	0.5
133.10083	0.4
135.11722	0.5
143.83827	0.3
146.17516	0.3
152.06808	0.2
170.05728	2.5
184.07300	0.4
250.16931	0.3
288.27536	0.3
335.25742	9.8
336.26108	0.4
486.29657	1.6
504.30908	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	504.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05461	29.3
57.03368	7.9
57.07003	15.4
58.47649	3.1
61.02848	4.6
67.05128	4.6
67.05429	81.6
69.03355	4.9
69.06988	30.1
71.08537	7.4
73.02825	37.9
79.05404	17.7
80.42852	3.6
81.06979	100.0
83.08522	16.6
84.42428	3.6
89.05930	7.6
91.05401	19.2
91.46469	3.6
93.06962	24.9
93.65208	3.4
95.08535	65.9
97.06451	5.3
97.10091	7.4
105.06964	8.0
107.08521	19.7
109.10085	24.5
119.08507	8.7
121.10089	20.9
123.11640	20.4
129.76488	4.0
133.10063	18.2
135.11653	4.6
138.16562	3.8
147.11674	6.1
161.13242	8.8
163.14754	6.3
192.23439	5.1
224.13153	3.9
245.22589	36.9
245.43524	4.3
263.23648	54.1
323.17783	4.6
331.38248	5.3
337.27255	23.9
389.90579	5.0
414.49313	5.0
431.32913	5.1
489.71744	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	504.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	30.7
57.03376	6.6
57.07010	13.6
61.02861	2.7
67.05427	94.0
69.03365	3.7
69.06990	33.4
71.08560	4.7
73.02837	50.5
76.56261	2.6
79.05414	30.7
81.06974	100.0
83.08544	22.0
85.02820	4.7
86.93205	3.1
91.05421	24.3
93.06973	27.4
95.08537	88.4
97.06420	5.3
97.10089	17.3
99.08011	3.3
105.06988	16.2
107.08553	24.3
107.73808	2.9
109.10114	41.5
115.03883	2.8
117.07065	3.9
119.08551	17.9
121.10091	21.7
123.11691	6.7
133.10068	21.3
135.11668	15.7
137.13263	3.7
145.10159	3.3
147.11696	16.0
149.13223	12.8
154.94232	5.2
161.13254	7.2
163.14749	4.4
168.95731	3.6
172.95229	12.8
175.14828	6.4
186.96777	46.0
190.96269	6.7
204.97829	52.3
216.90550	3.0
228.97867	3.7
245.22617	32.8
263.23642	44.2
337.27200	34.3
349.34351	3.2
415.66141	2.9
425.19873	3.0
449.19672	2.9
463.21182	11.8
469.30612	4.1
481.22171	3.3
504.35611	4.4
508.93512	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	504.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82190	2.7
55.01792	2.7
55.05451	38.5
56.48270	1.9
57.03363	8.7
57.07010	28.6
60.05573	13.7
67.05421	14.6
69.06997	25.3
71.08543	21.0
72.01781	1.9
79.05426	2.8
81.06966	18.8
83.05994	2.1
83.08537	100.0
85.10089	12.6
91.05435	3.4
93.06985	14.9
95.08539	21.0
102.72360	2.1
105.62502	2.5
107.08514	2.5
109.10104	5.2
111.08040	26.6
120.20697	2.3
121.06441	3.7
129.09071	4.7
157.08549	5.4
175.09595	24.2
181.64301	2.0
213.11201	50.7
231.12192	21.9
249.69981	2.9
313.27356	32.1
321.01068	2.4
340.05264	2.6
438.60501	2.4
469.35156	78.5
470.35519	9.4
504.36627	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	0.7
55.01807	0.3
56.73017	0.2
56.96503	0.3
57.03378	1.2
59.04921	0.2
61.02862	2.2
62.50771	0.2
65.03866	2.7
69.03016	0.2
69.03351	3.9
70.06496	0.2
71.04892	0.2
73.02820	0.8
80.04935	23.6
81.03336	1.8
81.05273	0.3
85.02830	15.8
86.03129	0.2
87.04398	0.4
91.03866	0.2
92.04921	0.7
93.03315	0.2
97.02824	4.7
98.97511	0.3
99.04360	0.8
99.06487	0.2
101.02366	0.2
104.12488	0.2
108.04425	3.6
109.02843	1.3
110.05992	0.7
111.04391	1.2
115.03872	0.4
116.98580	0.2
119.03661	0.2
119.04916	0.2
120.04418	3.1
121.98286	0.2
124.03920	0.7
127.03879	2.6
136.03922	16.1
137.32233	0.2
145.04933	3.0
148.03905	5.8
163.05980	1.0
164.03397	100.0
165.03729	1.4
166.05002	2.1
177.05399	0.3
182.04465	13.7
182.08064	0.3
208.19148	0.2
440.39981	0.2
483.04785	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59641	0.3
53.03880	0.5
55.01813	0.5
55.05440	0.3
56.96494	1.2
57.03365	1.4
57.16555	0.3
59.45675	0.2
60.04457	0.4
61.02848	1.8
65.03851	0.3
69.03059	0.3
69.03357	4.4
70.06502	2.0
71.04910	0.6
72.08064	0.6
73.02836	0.5
74.68172	0.3
81.03336	1.6
83.06046	0.4
84.04434	0.4
84.08064	2.0
85.02824	15.8
86.46159	0.3
87.04390	0.4
88.71973	0.3
91.05405	1.3
92.04929	2.9
92.10880	0.7
97.02830	4.3
98.97527	1.1
99.04380	0.6
108.04387	0.5
108.08058	0.4
109.02813	1.4
110.05993	100.0
111.04391	2.1
111.06333	0.7
112.27852	0.3
114.55098	0.3
116.98576	1.2
119.04897	3.4
120.04382	0.8
124.03951	1.7
127.03875	2.4
128.98586	0.3
134.99643	0.7
136.07553	24.6
137.07866	0.4
143.00122	0.3
145.04984	2.1
146.06067	1.1
146.99628	0.3
147.04401	1.6
154.71587	0.3
159.11368	0.4
161.01143	0.4
163.06000	0.6
164.07034	3.2
182.08096	46.9
190.95334	0.3
219.01741	0.3
234.08778	0.3
237.02942	0.5
259.04803	0.5
298.96796	0.3
301.06308	0.4
312.02267	0.3
403.09348	0.4
483.04639	0.6
501.05591	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	506.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	31.1
57.02496	3.7
57.03370	17.7
57.06993	4.2
67.05424	49.7
69.06990	37.0
69.07292	3.3
72.08071	100.0
74.19450	3.6
79.05403	8.3
81.06971	52.6
83.08558	9.1
91.05404	5.6
93.06982	9.6
95.08557	48.5
97.10110	4.3
105.27512	3.7
107.08528	4.9
109.10136	17.2
114.59200	3.6
116.24887	3.8
120.88797	4.7
123.11636	4.2
141.56958	4.4
170.05704	53.4
170.06909	4.3
226.65637	4.2
337.27249	90.7
345.31119	4.2
436.20123	4.5
439.18240	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	506.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37647	0.2
54.81558	0.3
55.05449	2.0
56.04964	0.5
57.03355	0.7
58.06519	0.4
60.08094	10.0
60.29456	0.3
64.33224	0.3
67.05418	4.5
69.06971	1.6
69.38757	0.2
70.06513	0.4
71.07290	5.0
74.05978	0.6
79.05421	2.2
81.06981	3.7
83.08502	0.4
86.09624	55.1
90.32557	0.3
91.05401	1.3
93.06971	3.1
93.84335	0.3
95.08527	2.7
98.98405	6.9
103.23551	0.3
104.10675	17.3
105.06952	0.4
107.08547	1.5
109.10110	1.2
115.36942	0.3
119.08532	1.1
121.10098	0.7
124.99956	35.6
133.10109	0.4
143.01035	0.5
155.01016	0.6
172.95215	0.4
176.98103	0.3
184.07301	100.0
185.07587	0.6
190.96213	0.4
237.82635	0.3
261.22147	0.4
314.26532	0.3
323.26041	0.3
335.25607	3.3
401.87381	0.3
419.21335	0.3
447.18991	3.6
471.18137	0.3
488.31149	1.3
506.25766	2.9
506.32669	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	506.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	2.3
56.04972	1.5
57.33081	0.8
58.06529	1.4
58.15619	0.8
60.07785	1.0
60.08092	24.7
66.68436	1.0
67.05431	7.8
69.06983	4.6
70.06512	1.3
71.07284	7.0
71.43253	0.8
71.57607	0.9
72.08066	22.4
73.08397	4.9
79.05399	4.9
81.06970	5.9
86.09625	68.2
91.05432	1.3
92.10873	2.4
93.06986	2.0
95.08530	4.7
98.98392	6.5
104.10678	100.0
107.08556	0.9
109.10085	1.1
119.08495	0.9
121.10082	1.3
121.31918	0.9
124.99960	49.4
133.10072	1.4
145.02806	1.1
172.68806	0.9
177.05501	1.3
184.07297	97.6
185.07646	1.3
221.34169	1.0
275.37100	1.0
317.72711	1.1
335.25867	1.0
376.36487	1.0
488.31290	8.6
506.24988	1.5
506.32266	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19164	0.4
52.21544	0.4
55.05444	1.1
57.05757	0.6
57.07005	0.7
67.05433	4.7
69.06989	1.1
70.06531	3.4
71.08553	0.6
72.08073	100.0
73.08416	1.0
79.05416	0.6
81.06978	4.6
82.05393	0.5
83.08555	0.9
90.09130	2.1
91.05396	0.4
93.06979	1.1
93.08817	0.4
93.40383	0.4
95.08568	3.4
105.12914	0.5
105.71004	0.5
109.10117	0.7
122.50977	0.4
128.27269	0.5
134.33763	0.6
143.58171	0.4
170.05742	2.3
176.99159	0.6
195.00262	1.1
205.12083	0.5
228.23134	0.5
265.82858	0.5
267.04767	0.5
313.27466	0.9
334.06607	0.6
337.27292	10.1
402.01990	0.5
488.31445	2.8
506.32449	2.6
507.26968	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	506.3243
Annotation	LysoPE(0:0/20:2(11Z,14Z))
Peak:m/z	Relative Intensity
54.93077	2.3
55.05455	37.9
57.03362	5.2
57.07003	5.1
57.90386	2.4
62.06017	31.6
65.12276	2.3
67.05431	66.5
67.28981	2.6
69.06995	31.8
70.06503	2.9
79.05400	16.5
81.06983	65.7
83.08527	13.1
91.05426	11.8
92.10239	3.0
93.06998	20.9
95.08528	52.0
97.06453	3.1
97.10107	5.9
98.98394	17.1
104.47074	2.7
105.06955	12.7
105.33438	2.8
106.59576	2.6
107.08516	18.8
108.20527	2.6
109.10101	15.3
121.10107	11.5
123.11657	4.3
130.17426	2.7
133.10109	13.8
145.10146	3.6
147.11626	3.4
155.00926	3.1
161.13226	3.4
334.30896	19.8
365.25903	4.4
365.30469	100.0
366.30804	4.3
488.31100	4.9
506.31863	11.7
507.26819	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	508.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64173	0.1
55.01809	0.1
56.96498	0.2
65.96215	0.2
69.03325	0.3
79.05394	0.4
83.04913	0.2
84.04423	0.2
85.02812	0.9
91.05419	0.3
92.10866	0.2
93.06958	0.8
97.02840	0.4
101.05964	0.2
103.05390	5.4
107.04888	1.6
120.08051	100.0
121.08385	2.0
127.03851	0.2
127.05022	0.2
131.04889	2.8
149.06070	1.5
166.08592	25.3
167.08926	0.6
221.58765	0.2
281.19070	0.2
282.67761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86966	0.3
52.58292	0.3
53.03885	0.3
55.01792	0.4
57.03359	0.9
61.02842	1.8
64.19044	0.3
69.03344	4.1
70.06502	0.5
71.04935	0.4
76.55962	0.4
81.03314	1.7
81.71052	0.3
84.08084	0.3
85.02825	15.1
85.03339	0.6
85.63318	0.3
91.03851	0.5
97.02832	4.9
99.04382	0.5
104.39986	0.4
108.05105	0.4
109.02803	1.7
110.03649	0.5
110.05984	4.1
111.06323	0.4
125.05939	5.0
127.03891	2.9
136.07530	0.6
145.04942	2.8
151.21564	0.4
152.63985	0.4
152.81427	0.4
156.14243	0.4
163.05991	0.6
167.06998	100.0
168.07349	3.6
182.08151	0.9
183.08401	0.8
197.83145	0.4
298.29614	0.4
379.30762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81075	2.5
55.01803	3.4
55.05445	17.1
56.58424	2.4
57.03373	6.3
58.99475	2.1
61.01077	28.3
61.02847	12.8
61.69144	2.1
64.32668	2.5
69.03344	17.5
71.04916	5.5
73.02825	2.3
73.06384	2.1
79.24294	2.5
81.03326	10.1
83.04903	53.0
84.04436	2.9
85.02831	93.1
85.03333	3.1
87.02623	4.3
87.43429	2.7
91.03876	3.0
92.31443	2.6
97.02825	24.9
99.04359	3.2
101.05960	81.9
109.02836	5.1
120.08054	10.0
127.03873	16.8
131.05194	9.8
145.04932	16.9
149.06294	100.0
163.06027	3.9
167.07332	72.2
169.51207	2.4
175.03914	3.3
190.28825	2.8
250.92717	3.0
345.13116	3.3
345.37656	2.9
447.71207	2.9
508.19736	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	508.3401
Annotation	Gymnodimine
Peak:m/z	Relative Intensity
51.65107	1.8
55.05456	38.8
57.03383	4.0
57.07000	15.8
60.46660	2.5
62.06013	33.7
66.81735	2.5
67.05433	17.7
69.06987	46.4
71.08553	3.1
77.24628	2.5
79.05387	4.3
81.06585	2.3
81.06986	29.7
83.08549	33.7
83.35094	2.1
93.06977	5.4
95.08533	30.1
97.10104	13.0
98.98427	17.4
99.62156	2.8
107.08513	6.2
109.10107	12.8
121.10091	3.2
133.10023	2.9
135.11623	9.8
149.13235	3.0
155.00955	6.0
159.11504	2.5
198.05249	2.5
293.28516	4.5
317.13937	2.5
336.32669	16.0
367.32010	100.0
368.32339	4.3
447.28433	2.9
490.32996	4.2
508.33633	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	508.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	2.7
57.03361	1.3
57.05752	1.2
57.07009	1.7
67.05413	2.6
69.06981	5.7
70.06499	1.6
72.08072	100.0
81.06969	5.4
83.08527	2.1
86.50141	1.1
90.09105	2.4
93.06968	1.9
95.08542	5.1
97.10114	1.8
107.08501	1.1
109.10081	2.0
131.08458	1.3
187.05437	1.3
190.96011	1.2
192.05209	1.1
316.58264	1.2
336.32547	1.8
337.72885	1.1
339.28848	13.1
490.32788	1.3
508.27249	10.4
508.33325	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	1.0
55.05213	1.6
55.05451	26.1
57.03379	11.8
57.07005	1.4
58.44582	0.8
59.83867	1.0
67.05430	67.2
69.06994	31.7
71.04863	1.0
71.08519	1.0
74.05985	5.0
76.56705	0.8
79.05412	16.2
81.06978	67.7
83.04919	1.4
83.08543	12.3
88.54813	1.0
91.05406	6.9
93.06984	14.2
95.04930	1.1
95.08540	39.6
97.06482	1.5
97.10106	2.3
98.98402	60.2
105.06992	8.5
107.08540	9.6
109.10111	15.4
110.52499	1.2
113.30844	1.1
116.99467	1.7
119.08556	4.5
121.10102	5.5
123.11678	6.4
133.10078	5.6
135.11649	2.5
137.09676	1.0
147.11679	2.5
149.13319	1.1
155.01018	16.8
173.02048	5.9
229.04700	1.9
245.22560	1.9
263.23767	4.4
319.26364	1.5
337.27310	100.0
338.27524	1.7
473.26517	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	509.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	0.9
53.01178	0.7
53.03880	0.9
55.01808	1.5
55.05190	0.9
55.05453	27.8
57.03371	12.4
57.07002	4.7
65.03849	1.4
67.05427	70.4
69.06986	32.9
71.08543	1.2
72.23798	0.7
79.05402	17.8
81.06973	65.0
83.04875	1.1
83.08533	13.2
85.06439	1.2
88.68163	0.9
91.05404	9.9
93.06966	22.1
95.04875	3.1
95.08533	45.3
97.06454	1.6
97.10085	4.0
98.98397	59.2
105.06965	6.7
107.08552	9.7
109.10111	13.6
111.08002	1.6
116.99452	1.1
118.54791	0.9
119.08522	7.3
121.10098	6.3
123.11646	6.0
133.10088	5.6
135.11636	4.5
137.09578	1.0
137.13266	1.3
137.41832	1.0
145.10080	1.1
147.11693	3.6
155.01035	16.5
163.14745	0.9
173.02074	4.0
189.16457	0.9
229.04697	1.3
245.22633	1.0
247.05640	1.6
250.92570	1.0
263.23648	4.8
337.27292	100.0
392.52142	0.9
461.97830	1.0
463.90298	0.9
473.26620	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	509.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08941	0.5
60.62497	0.4
64.58038	0.5
66.27070	0.4
67.05430	0.6
92.10282	0.5
93.06931	0.6
95.08575	0.6
160.99307	0.5
175.94659	0.5
218.39328	0.6
243.14252	0.6
509.30777	100.0
510.30878	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	509.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	0.8
57.07004	5.2
61.69024	0.8
67.05432	1.6
69.06999	1.3
71.08533	1.3
81.06971	1.2
92.10147	1.3
95.08549	1.8
97.92078	1.0
175.32947	1.1
197.07756	6.2
210.04678	0.9
226.61401	1.0
313.27005	1.0
509.34402	100.0
510.34616	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	510.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	1.9
54.80997	1.2
55.01801	2.2
55.88200	1.0
57.03361	5.8
61.02856	11.2
65.03864	4.4
69.03072	1.2
69.03350	22.0
70.06527	1.1
70.80782	0.9
71.04893	2.4
73.02839	2.9
81.03320	7.1
85.02829	100.0
86.03153	1.5
87.04392	2.0
88.03975	1.2
89.26917	1.1
91.03880	2.6
91.05405	5.3
93.03362	1.6
97.02832	31.2
99.04408	5.3
107.04887	4.8
109.02825	8.7
110.03619	1.9
111.04385	26.3
111.66699	1.2
119.04913	5.5
123.66846	1.1
125.05976	16.1
127.03874	17.4
145.04935	20.5
151.03893	7.3
151.07529	22.0
159.35175	1.1
163.06000	5.6
169.04910	34.3
370.60352	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	510.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80041	0.4
53.03872	0.5
54.81977	0.6
55.01827	0.6
55.05439	1.1
56.96492	3.3
57.03369	7.6
61.02850	0.7
64.00415	0.5
69.03343	8.0
69.06979	0.7
69.15093	0.5
70.06509	7.2
71.04904	38.2
72.08067	1.4
72.76080	0.5
73.02826	3.1
75.04390	4.4
79.05412	0.8
79.74662	0.5
80.61283	0.5
81.03328	0.9
83.04901	6.6
84.04412	1.0
84.08061	3.3
85.02823	53.6
86.09597	1.1
87.04379	0.9
91.05398	1.3
95.01273	0.7
95.04896	3.3
97.02828	2.9
98.15549	0.6
98.97495	1.2
99.04384	1.0
109.02837	0.7
110.03604	9.1
110.07097	2.7
111.04399	5.7
113.97658	0.6
115.03870	0.5
116.98544	1.0
118.08575	0.9
119.04875	0.7
123.04387	0.6
124.03867	0.8
125.05946	50.0
127.03876	4.4
129.05437	15.1
129.06963	0.6
134.99683	0.9
136.07521	0.6
139.03874	7.3
147.04411	2.9
147.06487	4.1
153.05434	87.5
154.06218	29.5
155.03362	1.4
155.07089	1.0
156.65248	0.6
163.03804	0.7
167.07024	1.0
170.05679	10.9
177.05368	1.1
178.06107	1.0
182.05754	0.7
183.06345	0.5
185.08047	100.0
186.08420	1.3
194.05717	3.1
197.07947	4.1
201.02992	0.7
209.08090	2.8
219.01764	0.7
221.08116	1.1
227.08981	1.1
237.07532	2.4
241.92053	0.6
251.08936	3.2
277.10645	6.3
280.20932	0.6
295.11710	3.0
311.11166	1.0
313.12778	0.8
317.05820	0.9
331.13904	0.7
413.00375	0.7
427.50162	0.7
509.17645	0.8
510.17493	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	510.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06484	0.8
59.31360	0.6
60.07786	0.8
60.08091	21.9
63.76322	0.6
67.05434	1.1
69.06976	1.6
71.07286	9.8
74.79527	0.6
75.06437	0.6
81.06966	3.0
83.08538	0.9
86.09625	81.7
92.27253	0.6
95.08537	4.0
98.98409	5.0
101.72667	0.5
104.10677	100.0
105.11044	0.6
109.10101	1.0
124.99962	46.1
135.11697	0.7
167.93304	0.7
184.07303	97.6
185.07779	1.0
194.31541	0.7
290.82684	0.6
348.25574	0.7
424.01648	0.7
430.35110	0.7
492.30789	6.0
510.31812	36.7
511.32144	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90352	1.6
54.81440	2.0
59.04920	1.7
60.08107	20.9
67.05408	2.8
69.06982	2.4
71.04887	3.2
71.07278	10.8
72.08066	4.7
73.98344	2.1
74.19810	1.8
81.06981	3.0
86.09631	75.3
92.90718	2.2
98.98360	3.4
100.15032	1.8
104.10681	83.3
120.08047	7.9
121.59786	1.9
124.99962	44.8
136.07532	3.9
184.07298	100.0
246.95026	2.4
314.13589	2.5
319.72147	2.2
344.64963	1.9
435.29803	2.1
492.30609	13.2
510.31824	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	510.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79651	0.2
55.05436	0.8
56.04957	1.4
57.03365	0.5
57.07005	1.4
58.06515	0.7
60.08092	20.0
67.05431	3.3
69.06985	2.6
71.04889	0.3
71.07286	8.2
71.08539	0.8
71.37539	0.3
76.56535	0.3
77.61431	0.3
79.05415	0.4
81.06979	5.8
83.08540	0.7
85.10086	0.7
85.23574	0.3
86.09621	72.4
92.64234	0.5
93.06934	0.4
95.08529	6.5
98.07364	0.3
98.80385	0.4
98.98402	5.0
104.10673	100.0
109.10117	2.1
124.99957	38.7
135.11668	0.3
143.01038	0.7
163.01517	0.7
184.07294	87.8
185.07703	0.4
342.57291	0.4
492.30911	4.6
510.31784	43.8
511.10904	0.4
511.32156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11460	0.9
54.81897	1.1
55.05467	1.4
56.04971	1.4
57.03376	1.4
58.06533	1.7
60.07821	1.3
60.08097	22.2
67.05430	1.2
70.06519	1.3
71.07283	10.7
81.07005	1.4
86.09629	75.9
93.06966	1.8
98.98399	5.8
104.10683	100.0
107.08665	1.3
124.99967	42.5
149.02315	2.6
159.06172	1.2
171.13304	1.2
184.07306	74.5
237.07616	1.7
466.71338	1.4
492.30701	4.9
493.86987	1.5
510.31940	29.4
511.33398	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	510.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46284	1.3
60.08101	11.3
62.13319	1.3
62.92700	1.4
67.05440	2.0
81.06983	1.7
86.09628	54.4
88.34543	1.5
98.98396	2.2
99.83350	1.4
104.10666	14.1
124.99963	39.0
184.07318	100.0
348.94464	1.8
366.09842	1.5
509.30566	3.1
510.31714	21.2
529.17859	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30296	0.8
54.40027	1.1
54.83479	0.9
55.05434	2.2
56.04972	1.5
57.03358	1.1
58.06519	1.8
60.08095	20.7
67.05412	2.0
71.07296	9.5
72.08070	25.1
81.06969	2.0
82.91725	0.9
86.09629	66.7
89.54357	1.1
91.05352	1.2
93.06988	2.1
95.04927	1.7
95.08501	1.9
98.98404	4.1
104.10682	100.0
119.03927	1.0
120.07229	2.2
120.08059	44.5
124.99970	37.4
184.07309	62.3
219.14879	6.8
247.14391	4.6
267.14844	1.6
294.03894	1.2
295.14175	1.2
321.41327	1.2
346.21201	1.4
350.21552	1.2
394.20944	2.3
492.30731	2.6
510.31967	34.0
521.84631	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30296	0.8
54.40027	1.1
54.83479	0.9
55.05434	2.2
56.04972	1.5
57.03358	1.1
58.06519	1.8
60.08095	20.7
67.05412	2.0
71.07296	9.5
72.08070	25.1
81.06969	2.0
82.91725	0.9
86.09629	66.7
89.54357	1.1
91.05352	1.2
93.06988	2.1
95.04927	1.7
95.08501	1.9
98.98404	4.1
104.10682	100.0
119.03927	1.0
120.07229	2.2
120.08059	44.5
124.99970	37.4
184.07309	62.3
219.14879	6.8
247.14391	4.6
267.14844	1.6
294.03894	1.2
295.14175	1.2
321.41327	1.2
346.21201	1.4
350.21552	1.2
394.20944	2.3
492.30731	2.6
510.31967	34.0
521.84631	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04165	4.7
52.42217	4.0
55.05462	7.2
57.03358	5.8
57.07013	41.8
61.97597	4.5
62.06006	25.7
65.90210	5.0
67.05434	10.0
69.06991	8.0
71.08545	29.3
81.06971	12.3
83.08549	6.9
85.10107	22.3
89.05923	7.2
91.05387	8.5
91.61646	5.5
95.08523	20.1
97.10110	5.6
98.98367	8.2
116.07033	24.5
121.10103	6.1
167.38382	5.6
216.32259	5.1
338.34204	11.4
347.78491	6.0
369.33536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67084	0.4
55.05450	0.5
56.04975	0.6
56.33030	0.4
57.03369	0.4
57.05741	0.4
57.07005	5.9
58.91748	0.4
62.20052	0.4
65.43533	0.5
66.90733	0.5
67.05421	1.0
69.06979	0.7
69.47346	0.5
70.06499	2.9
71.08558	2.6
71.44518	0.4
72.08068	100.0
74.00246	0.5
81.06990	1.9
82.18271	0.4
82.41397	0.4
83.08536	0.8
85.10099	1.1
89.05975	0.5
90.09128	2.7
92.10956	0.9
95.08524	1.2
109.10150	0.7
121.06509	0.6
153.09184	0.5
170.05785	3.1
244.05551	0.5
248.72034	0.5
306.16440	0.5
341.30423	15.5
491.03760	0.6
492.34753	2.1
510.35654	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	510.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78765	0.5
55.05449	1.3
57.07011	3.4
57.90434	0.6
60.08091	12.0
63.71376	0.6
67.05432	0.9
69.06992	1.4
71.07288	5.6
71.08540	1.2
72.08069	9.3
73.08402	1.2
81.06962	1.6
81.81496	0.7
83.08525	1.0
83.78735	0.7
83.96037	0.8
86.09628	53.2
86.41210	0.9
90.73094	0.7
95.08534	2.8
97.10063	0.8
98.98418	5.0
104.10677	25.4
104.68108	0.7
107.08559	0.7
124.99964	38.0
129.02568	0.7
143.00958	0.8
184.07304	100.0
185.07607	0.9
191.33229	0.7
284.82703	0.8
469.23203	1.2
487.91992	0.7
510.35477	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	510.3562
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
51.18934	0.7
54.30471	0.7
57.07010	11.3
58.06536	1.5
60.07821	1.4
60.08099	23.7
62.39980	0.7
67.05443	1.0
69.06973	1.2
69.64438	0.8
71.07299	8.4
71.08549	8.8
71.91022	0.8
72.22864	0.8
79.62062	0.8
81.06963	1.5
85.10105	3.6
86.09625	78.9
95.08556	5.2
98.98392	5.6
104.10677	94.6
109.10117	1.4
124.15125	0.8
124.99963	45.3
138.06892	1.0
157.74103	0.9
184.07300	100.0
198.44162	0.9
239.23666	2.0
259.93051	0.9
313.27338	9.8
327.28958	1.1
331.28241	1.3
348.96768	0.9
379.27490	1.0
492.34354	8.4
510.35486	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	510.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79958	1.8
54.81606	2.6
55.05447	5.0
55.13705	2.2
57.07010	53.2
57.86002	1.8
58.52483	1.9
58.79240	1.8
64.97511	2.0
67.05454	2.9
69.06985	9.1
71.08543	42.1
71.16885	2.1
73.06452	3.8
83.08548	3.7
83.47089	2.1
85.10111	21.1
89.05956	100.0
97.10087	3.6
107.07056	4.5
108.87558	1.9
133.08559	33.5
154.79558	2.6
177.11186	11.2
283.17426	12.0
493.40903	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3029
Annotation	[1R-[1alpha(E),4beta,4abeta,5beta(E),6alpha,8aalpha]]-[4-(Acetyloxy)decahydro-6-hydroxy-1,4a,6-trimethyl-5-(3-methyl-2,4-pentadienyl)-1-naphthalenyl]methyl ester 3-(4-hydroxyphenyl)-2-propenoic acid
Peak:m/z	Relative Intensity
50.29203	2.5
53.58564	2.4
54.16540	2.1
54.81461	2.3
57.07007	4.7
67.03979	2.3
68.81826	2.2
70.97055	2.2
79.05414	2.7
81.06975	5.6
136.41666	3.5
197.11684	6.9
220.21701	3.0
241.22997	2.7
315.19690	3.4
451.28134	100.0
503.86700	3.0
511.29959	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	511.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19526	0.7
53.03883	1.0
55.05450	37.7
56.17022	0.9
57.03374	13.0
57.07009	12.6
59.57953	0.8
63.84441	0.8
65.31729	0.9
67.05428	23.3
69.06606	1.9
69.06986	43.6
71.08535	3.7
74.92900	0.8
75.04375	0.9
76.26249	0.8
79.05396	9.9
81.06972	23.0
83.08533	24.3
85.10102	1.6
85.84670	1.0
86.76903	1.0
91.05412	1.3
93.06979	14.4
95.08534	22.9
97.06490	1.8
97.10107	13.0
98.97745	1.7
98.98396	53.9
107.08524	8.2
109.10117	12.8
111.08041	1.2
111.11636	3.7
116.99493	1.2
121.10093	10.6
123.11674	2.1
135.11678	9.7
136.99934	1.0
149.13261	1.9
155.01007	17.2
173.02074	4.6
177.16408	1.0
182.52922	0.9
214.56123	1.1
265.25131	3.9
305.83420	0.9
339.28879	100.0
340.29193	5.2
475.27466	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	511.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	1.9
54.12223	0.9
55.05187	1.7
55.05450	40.2
57.03371	14.5
57.07007	13.4
67.05424	19.1
69.06987	39.3
69.63342	0.8
71.04897	1.0
71.08531	6.2
74.33064	0.9
79.05398	10.4
81.06969	25.3
81.89767	1.0
83.08535	26.6
85.10101	1.9
88.81247	0.8
89.01039	0.9
91.05437	1.5
93.06973	13.5
95.08536	22.0
97.06450	2.0
97.10127	11.1
97.36369	0.9
98.98396	34.6
104.10667	1.0
105.06969	1.2
107.08514	7.3
109.10106	8.8
111.08009	1.1
111.11674	1.2
116.99400	1.6
121.10101	12.1
123.11631	1.7
135.11632	7.7
149.13254	3.7
155.00992	9.9
173.02122	1.3
190.96284	1.2
247.23967	1.0
265.25131	1.6
271.98566	1.1
339.28870	100.0
340.29257	3.8
475.28094	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	1.7
53.03878	1.2
53.05275	0.6
55.05452	35.8
57.03373	17.5
57.07011	16.8
59.11922	0.7
62.06005	1.1
63.82427	0.6
67.05076	0.8
67.05431	21.3
69.06988	45.9
71.04918	1.3
71.08544	6.4
78.94185	0.8
79.05421	10.3
79.69713	0.7
81.06976	26.2
83.04876	0.9
83.08539	27.4
85.06448	1.5
85.10083	3.0
89.11095	0.7
91.05408	0.9
92.11025	1.3
93.06971	15.2
93.12804	0.7
94.04602	0.7
95.04893	2.6
95.07964	1.1
95.08531	25.2
96.10580	0.7
97.06475	5.6
97.10105	14.4
98.98388	9.8
105.06935	0.8
107.08531	7.7
109.10130	8.1
111.08018	1.5
111.11665	4.7
116.18216	0.7
117.25810	0.7
121.10094	10.1
123.11654	3.3
125.09578	0.9
135.11685	6.6
149.13219	2.9
155.00990	1.3
172.95204	1.1
184.07224	2.9
262.37985	0.8
265.25113	1.0
339.28885	100.0
340.29190	3.9
342.87912	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81885	0.4
55.01799	0.8
55.05441	0.4
57.03366	1.0
61.02843	2.7
65.03876	5.8
66.86191	0.4
67.05414	0.6
68.99712	2.0
69.03343	5.1
71.04897	0.5
73.02825	1.0
77.94361	0.5
81.03333	3.4
83.04900	4.7
85.02830	23.6
91.03888	0.6
93.03325	1.8
97.02829	8.3
97.26980	0.4
107.04871	0.5
107.17004	0.4
109.02812	2.5
111.04395	42.7
120.08046	3.9
121.03944	2.3
127.03870	3.0
137.76338	0.5
139.03885	100.0
140.04253	1.9
145.04947	4.1
166.08635	0.4
171.06494	73.9
172.06870	1.9
207.06406	0.7
221.45638	0.4
222.04866	0.5
237.07478	0.8
297.09802	1.6
300.63934	0.5
306.44910	0.4
307.64145	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40473	1.1
55.08175	1.3
60.08097	19.9
67.05376	1.3
69.06979	1.9
71.07284	8.1
73.30058	1.4
74.58019	1.2
75.70193	1.2
80.39619	1.2
86.09629	60.4
93.07025	1.5
93.98260	1.8
98.98394	2.1
104.09998	3.2
104.10683	64.7
116.23352	1.4
120.85609	1.4
124.99966	37.5
154.93716	1.4
184.07323	100.0
439.65170	1.8
471.12918	1.8
494.31833	5.9
512.33380	28.7
537.25458	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	512.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96494	4.8
57.03360	1.0
60.08082	10.3
69.06976	1.2
71.07275	5.8
79.39182	0.9
81.89789	0.9
86.09624	56.6
98.98373	7.9
104.10683	12.5
124.99957	41.6
146.99596	1.3
151.39935	1.0
172.95146	1.4
184.07297	100.0
233.61217	1.0
259.58704	1.1
453.15640	1.3
467.32458	1.0
512.33356	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	512.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31744	0.1
51.51937	0.1
55.05455	1.2
56.04963	0.8
57.03368	0.6
57.06997	0.2
58.06518	0.2
60.08095	12.7
60.64359	0.1
61.68104	0.1
67.05419	0.6
69.06991	1.5
70.06501	0.2
71.06926	0.2
71.07289	4.2
71.08549	0.2
79.05394	0.3
81.06962	0.8
83.08526	0.9
86.09626	54.2
87.09920	0.2
91.05396	0.2
93.06972	0.6
95.08503	0.3
95.87577	0.2
97.06461	0.3
97.10108	0.3
98.98389	4.5
104.10677	19.1
107.08513	0.3
111.11614	0.2
121.10093	0.2
124.99962	36.9
143.01079	1.2
161.12325	0.2
170.74504	0.2
173.68636	0.2
184.07306	100.0
185.07584	0.6
302.10910	0.2
375.20102	0.2
376.07483	0.2
391.70425	0.2
494.32077	1.6
512.33368	11.6
513.33527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01828	1.2
55.05430	1.6
57.06984	1.1
60.07819	1.8
60.08094	29.0
66.23538	1.1
66.57538	1.0
69.06992	2.2
69.63904	1.1
70.07906	0.9
71.07291	9.2
74.84970	1.0
86.09625	69.7
90.59721	1.1
95.08549	2.0
98.98372	4.3
99.07437	1.0
104.10676	100.0
104.47480	1.1
105.11010	1.3
114.85657	1.1
124.99961	46.8
126.90414	1.3
163.01379	1.2
163.03856	2.2
184.07300	92.8
218.98781	1.4
254.48810	1.3
494.32123	7.0
512.33368	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05015	0.7
54.61397	0.8
55.05467	0.9
56.42286	0.8
57.03355	1.0
57.07004	1.0
57.47548	0.7
58.06541	0.9
60.08097	24.6
62.32397	0.8
65.26755	0.8
67.05424	0.8
67.75116	0.8
69.06978	1.4
71.07301	10.0
74.54867	1.0
86.09628	68.4
98.98394	2.2
104.10683	91.7
112.27061	0.9
124.99965	38.9
153.95250	1.1
167.11407	1.0
184.07310	100.0
340.87497	1.1
367.82724	1.1
400.72900	1.2
494.32452	5.3
512.33374	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	512.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	1.6
56.04959	1.6
56.96498	0.6
57.03363	2.6
57.06994	0.5
58.06528	1.5
60.08092	22.7
67.05429	0.3
69.06999	2.4
71.07285	9.3
74.11221	0.3
74.61010	0.3
75.04396	1.6
81.06998	0.5
83.08536	1.4
86.09625	63.0
86.57047	0.4
95.08519	0.5
97.10099	0.4
98.98392	4.8
104.10677	100.0
105.10983	0.4
116.98548	0.4
124.99959	37.2
127.81705	0.3
129.37308	0.4
143.00995	0.4
146.99678	0.3
163.01501	0.4
165.03040	0.5
181.02504	0.3
184.07300	69.6
185.31532	0.4
301.41760	0.4
328.35641	0.3
329.27167	0.3
342.18817	0.4
491.73495	0.3
494.32297	5.3
512.33362	35.0
513.33801	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	2.9
56.04976	1.0
57.03381	0.9
57.07010	0.6
58.06527	1.3
60.08095	23.7
67.05420	1.0
68.20842	0.5
69.06993	4.2
71.07285	7.1
73.16631	0.5
79.05423	1.0
81.06990	1.1
83.08552	2.3
86.09627	73.6
93.06992	1.1
95.08565	1.2
97.06438	0.6
98.98386	4.5
104.10679	100.0
107.08533	0.7
121.10096	0.8
124.99963	43.1
143.01018	1.3
184.07306	85.4
185.07686	1.0
192.21304	0.6
210.44817	0.6
216.93980	0.7
240.09967	2.2
258.10947	9.1
360.25644	0.7
494.32349	9.2
512.33459	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	513.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	12.1
54.81621	1.2
55.05457	2.4
56.96503	2.0
66.10435	2.1
68.76954	1.6
69.03357	3.5
69.06982	2.4
70.06512	13.6
72.08072	3.3
77.10824	1.6
81.02908	2.5
81.03342	54.9
84.08074	3.0
85.02808	2.4
86.09638	3.2
87.48387	1.5
92.10815	2.1
95.04858	1.7
97.02808	3.9
97.06374	1.9
97.10168	1.8
100.11195	2.2
109.02834	100.0
109.10108	2.1
120.08037	3.2
124.03824	2.5
127.03882	2.9
129.58025	1.6
133.32782	1.9
160.05144	2.9
170.66673	2.1
175.07655	4.1
201.05438	2.3
205.06438	3.6
218.05777	2.8
220.05125	9.1
222.06697	7.1
222.08992	1.6
234.06679	3.0
235.07501	29.6
237.09047	20.9
245.04428	2.0
248.04523	8.0
250.06175	6.2
263.06958	28.9
264.07532	2.5
265.04916	9.3
265.08521	24.9
279.06613	2.5
280.07217	14.6
291.06448	3.1
293.04465	2.5
297.11160	9.3
308.06693	6.5
322.08340	4.1
323.09100	78.8
340.09305	16.5
341.09891	7.6
350.16464	1.9
449.12262	15.1
513.15326	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	513.158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89031	1.0
69.03358	1.9
70.06512	5.1
71.04884	1.0
84.04425	1.9
85.02831	2.1
92.10236	1.4
104.34271	1.2
107.08486	1.4
110.07095	1.7
120.41482	1.2
143.44019	1.3
151.03870	2.3
153.09099	1.6
168.15408	1.2
177.00612	2.1
189.05229	2.2
203.05115	1.3
211.05524	1.1
221.16356	1.2
347.09375	9.8
351.10507	1.3
513.15717	100.0
514.16040	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	513.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96238	4.9
56.96504	100.0
57.35871	2.0
60.08086	3.5
65.52791	3.1
74.97529	2.4
81.06942	3.6
84.95971	10.2
86.09602	7.9
98.97504	27.3
104.10690	12.9
106.78833	2.7
107.08514	4.4
110.97533	2.4
116.98571	31.6
119.08585	2.6
120.98065	2.9
125.00004	6.2
128.92343	2.7
128.98573	15.3
134.99641	31.7
143.00162	5.7
144.70747	2.7
146.99634	19.3
153.00743	4.0
154.94032	3.0
158.99710	5.1
161.01161	23.5
165.00700	4.2
172.79663	2.7
172.95207	3.9
173.01225	5.5
177.00719	4.6
179.02264	2.4
184.07347	14.8
185.01231	3.7
191.02203	5.1
203.02199	12.1
205.05484	3.3
223.06390	5.8
227.06032	5.7
229.45703	2.6
234.99007	2.3
235.06425	3.3
251.05869	30.7
253.07419	4.0
265.07578	3.1
269.06921	17.6
283.08444	2.9
337.09454	16.4
379.10489	15.5
399.30185	2.8
453.15561	14.3
471.16675	20.7
513.17938	42.3
536.96252	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	513.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82083	1.6
54.44522	1.7
55.01795	3.1
55.05450	19.5
56.96487	1.7
57.03366	11.0
61.80944	1.8
65.03857	1.9
67.05432	40.5
67.55840	1.7
69.03342	12.7
69.06989	21.4
70.06519	34.9
71.04898	12.1
71.08524	2.5
72.08067	3.0
73.02824	2.2
79.05412	22.2
80.14309	1.7
81.03340	4.7
81.06976	60.4
83.04899	4.5
83.08534	13.3
84.04421	11.2
84.08062	12.4
85.02819	19.8
85.06463	22.0
85.61909	2.0
86.09612	3.4
91.05404	21.4
93.06972	71.0
95.01257	14.4
95.04884	11.9
95.08540	46.0
97.06451	2.1
97.10115	2.6
99.00746	2.7
99.08015	8.7
101.02268	2.0
101.05936	1.8
102.89570	1.9
103.03885	10.8
105.06993	19.5
107.08529	75.2
109.06477	7.3
109.10105	35.8
110.07114	7.9
111.08021	11.6
113.02299	7.3
113.05933	3.3
117.05456	3.4
117.09244	1.7
119.08532	3.0
120.04401	2.3
120.08023	2.1
121.06465	3.5
121.10081	24.7
125.09628	6.9
127.03909	3.2
129.10168	2.6
131.08517	12.0
133.10095	8.8
135.07994	3.5
135.11668	7.8
136.07530	2.8
139.07527	2.4
141.01814	17.5
145.02856	2.7
145.10098	2.6
146.99649	3.2
147.04381	3.3
147.11658	18.4
149.09630	3.6
149.13234	100.0
163.14769	43.8
167.14275	16.7
171.10049	3.9
173.13242	16.7
177.05487	2.8
185.15292	21.4
186.99118	3.3
191.14296	41.2
209.15355	22.0
227.16388	4.0
277.39429	2.1
283.18976	62.8
293.08661	7.6
301.20074	23.8
325.60132	2.2
459.21759	4.0
513.15588	32.0
513.22150	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	513.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00254	2.9
54.09015	2.3
54.23965	2.2
54.81602	2.9
55.01810	2.3
55.05442	11.8
56.04960	2.9
57.03358	11.1
64.75476	2.5
67.05436	41.7
68.12309	2.8
69.03339	4.9
69.06971	13.5
70.06508	52.1
71.04908	11.5
72.08069	13.7
73.02824	4.2
73.18962	2.7
79.05400	14.0
81.03336	3.9
81.06972	36.3
82.72786	2.3
83.08534	5.0
84.03900	2.7
84.04423	11.5
84.08058	17.0
85.02824	17.5
85.06468	16.8
86.09612	4.5
91.05399	5.2
92.10249	3.2
93.06969	56.0
95.01226	11.6
95.08525	31.6
97.02814	3.8
97.06431	4.6
103.03890	4.1
104.70668	2.7
105.06985	5.4
106.61568	3.0
107.08543	45.8
109.02842	4.0
109.10096	55.8
110.07097	5.7
111.08004	4.7
116.07101	3.2
117.05449	3.2
120.08049	4.8
121.02816	43.9
121.10085	24.8
124.03902	3.6
129.10188	4.8
131.08540	11.9
131.23277	2.4
133.10068	4.0
135.11710	4.7
136.07574	3.5
139.03854	6.3
141.01801	14.9
142.50720	2.6
147.11613	4.8
149.03386	4.8
149.09525	2.8
149.13232	100.0
163.14742	24.2
167.14281	40.4
173.13179	3.5
185.15315	21.5
191.14240	19.4
204.97591	2.8
209.15312	14.4
228.44760	2.7
283.18982	34.0
293.08588	5.1
301.19971	9.9
315.57797	2.8
483.37915	3.1
513.19763	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	513.3191
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
53.00240	1.5
53.80245	0.8
55.05449	7.7
57.03374	12.3
57.07016	60.1
67.05434	8.2
69.06989	9.6
70.27087	0.7
71.08549	36.6
81.06973	14.2
83.08537	4.6
85.10110	19.6
87.04398	0.8
88.14084	0.7
89.05956	25.2
90.06295	1.0
92.08418	0.7
92.10863	1.7
93.06980	1.0
95.08540	19.2
97.10100	6.3
98.03324	0.7
98.98402	51.8
107.03292	0.8
109.10116	7.4
111.11703	1.8
113.77483	0.8
116.99475	3.9
123.11680	2.0
133.08572	7.0
147.50307	0.8
155.01019	17.3
173.02106	5.0
177.11160	1.2
180.37799	0.8
207.27339	0.8
229.04691	1.2
267.26611	1.3
283.26227	1.0
327.20111	6.2
328.20380	1.1
341.30457	100.0
342.30991	1.5
421.26743	1.0
477.29718	8.4
502.29114	1.1
512.50659	1.1
513.31677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2146
Annotation	Zeatin riboside-O-glucoside
Peak:m/z	Relative Intensity
53.03889	1.0
55.01797	1.3
56.04961	1.0
56.96492	1.5
57.03364	1.6
57.54646	0.8
59.32880	0.8
60.04468	0.8
61.02863	4.2
67.05426	4.7
69.03345	10.2
70.06506	12.1
71.04904	1.4
72.08070	4.2
73.02836	0.7
81.03350	6.3
84.04427	5.8
84.08063	7.7
85.02821	19.3
85.06457	1.3
86.09631	3.3
87.04403	1.8
88.03940	0.9
91.05417	3.5
92.64171	0.8
95.04890	1.5
95.08532	1.0
97.02833	6.1
98.97507	1.8
99.04375	1.9
106.02868	1.3
109.02838	4.9
109.10084	4.2
110.07112	7.7
112.08650	1.2
114.81767	0.8
116.98576	3.0
120.08079	1.1
124.03894	4.7
126.13667	0.9
127.03844	7.2
129.10176	1.9
129.49382	0.9
134.05980	1.5
134.99628	0.8
135.06613	1.0
136.06157	100.0
145.04904	1.1
148.06145	4.7
152.07024	1.6
155.07028	3.2
155.10596	2.8
159.06653	3.6
173.08179	1.1
173.11813	0.9
177.05473	0.9
185.08180	17.2
202.10837	24.7
220.11880	56.2
226.00444	0.9
333.01443	0.9
352.16122	1.9
382.17163	30.2
514.21320	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	514.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40711	1.0
53.00238	1.8
55.05442	7.0
57.07000	5.5
57.24559	1.3
67.05421	14.1
67.13322	1.3
69.06609	1.8
69.06985	49.9
70.64378	1.3
75.13355	1.3
77.83771	1.3
79.05402	11.2
81.06974	100.0
83.08528	3.0
89.05934	1.8
91.05415	5.3
92.10249	2.9
93.06967	15.8
95.04919	1.4
95.07954	2.0
95.08534	39.0
97.10124	1.6
105.06960	6.5
107.08530	13.5
109.06477	1.6
109.10099	13.2
113.07258	1.2
113.14559	1.2
119.08521	3.3
121.10141	9.3
123.11691	2.1
133.10115	1.9
135.11647	7.2
137.13234	2.5
139.25653	1.3
144.08041	2.7
145.08835	5.8
147.11586	1.6
149.13225	1.7
156.04819	1.9
159.10370	1.4
160.07620	2.1
161.08348	17.4
162.05084	1.5
162.09119	2.0
163.04488	2.1
164.05244	2.8
166.06865	2.4
172.07547	8.4
173.08397	4.6
174.09094	6.1
176.05223	1.7
176.07056	1.3
176.12119	1.5
177.07806	8.0
178.06841	19.6
179.03893	1.6
180.04782	3.0
182.06320	5.0
184.04195	6.3
186.09106	6.7
187.09865	22.0
188.07039	1.6
188.10715	1.7
191.03867	1.9
192.04768	8.3
193.05569	6.3
194.06313	14.3
198.09171	1.7
203.09410	2.4
204.10286	1.8
205.05501	14.3
206.06308	98.0
206.11856	1.7
207.06808	1.4
208.07919	5.9
209.05022	12.2
210.05836	24.8
212.10585	2.4
218.06276	5.6
220.07878	57.4
221.05045	6.5
222.05728	16.6
236.07379	23.1
238.08893	29.0
241.07678	8.7
244.07770	12.0
246.09474	5.6
250.08794	1.4
252.10608	2.0
260.07309	2.2
260.10995	2.2
264.10489	32.0
276.10431	9.3
278.12091	1.7
294.93799	1.4
304.13733	2.6
308.26404	1.4
464.29620	6.9
496.32214	12.5
497.32513	2.5
514.33722	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	515.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81799	4.3
58.39675	2.3
60.28317	2.6
62.70045	2.8
67.03238	2.4
68.11978	2.8
70.97389	2.8
75.98881	2.7
111.94397	2.9
146.05966	3.2
175.33946	2.9
189.33028	3.1
203.05336	4.1
268.50415	3.3
347.09357	54.9
373.77878	3.1
463.20432	3.0
515.13293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65034	4.1
53.85009	4.1
54.82272	4.1
55.05435	21.5
57.03366	8.5
57.06996	5.3
61.02841	8.1
67.05421	92.5
69.03348	5.7
69.06982	21.9
79.05397	72.5
79.83204	5.3
81.06971	99.1
83.08553	7.5
84.87098	4.4
91.05402	40.3
93.06960	100.0
93.55991	4.6
95.08520	75.8
97.02817	6.5
97.06467	6.5
97.10112	6.2
105.06937	27.2
107.08533	49.7
109.06417	6.7
109.10100	35.0
117.06952	11.7
119.08524	24.6
121.10075	34.0
131.08484	44.3
133.10085	11.4
135.11626	31.3
135.88744	5.0
145.10123	10.3
147.11595	6.9
149.13190	11.4
159.11673	10.5
173.13153	8.9
177.16328	6.2
201.16257	5.7
235.36000	5.2
243.20921	25.0
254.55826	5.1
261.22086	67.0
316.02490	5.4
353.26843	10.5
443.27542	6.6
497.30991	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	515.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	20.5
69.03333	1.0
69.06959	1.4
70.06503	14.8
70.21855	0.8
72.08057	3.9
77.45247	0.9
77.89590	0.9
81.06966	1.2
82.06503	2.0
83.04895	4.5
83.06013	1.4
83.08540	17.0
84.04430	2.0
84.08067	5.2
85.02826	3.8
85.06483	0.9
86.09622	2.4
91.05386	1.1
97.02817	1.3
98.35074	0.8
100.07544	5.0
100.11185	100.0
109.02798	1.3
110.07130	6.5
111.04391	8.7
112.07518	1.2
113.07001	0.8
124.03950	1.3
126.09089	1.7
126.12846	1.0
128.07057	5.8
129.10172	1.0
140.07077	2.2
150.66562	0.9
155.07030	6.0
173.07988	1.0
182.15355	22.4
201.00606	1.0
209.16487	14.9
209.18320	1.3
210.14891	22.3
210.51021	1.1
224.81067	1.0
227.17499	1.6
254.17545	1.5
326.28064	1.2
453.34494	1.9
455.10379	1.1
497.36942	2.0
515.37952	73.6
516.38342	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	516.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04090	2.4
53.03890	2.8
54.81178	4.1
55.01812	3.0
55.05441	3.3
56.96489	13.4
57.03367	6.2
61.02836	3.4
67.05412	7.4
69.03343	24.8
70.06516	27.8
71.04890	5.7
73.02834	5.4
80.04922	2.8
81.03334	15.9
82.37297	2.9
84.04425	4.4
84.08056	4.3
84.95938	5.3
85.02835	45.0
86.09664	3.2
87.04375	5.3
94.06488	7.8
97.02828	20.1
98.97495	13.5
99.04334	4.3
108.08060	100.0
109.02818	13.0
110.07128	6.1
116.98546	13.6
118.06466	7.1
120.04363	4.2
122.05959	15.8
124.03758	3.4
124.07550	24.7
125.08798	3.5
126.99666	3.8
127.03825	16.5
129.10199	4.4
130.06494	94.9
130.09682	7.4
131.00121	4.0
132.08051	5.0
134.05952	19.5
134.99626	4.5
136.07544	43.7
144.08040	6.2
145.04959	3.1
146.05952	13.7
149.01205	5.1
150.05484	98.1
151.03882	15.1
152.07036	97.4
154.77811	3.0
157.07549	5.7
158.08409	4.8
159.09113	19.4
161.07063	16.3
163.08617	74.4
164.03366	18.9
169.07538	4.5
175.08607	4.4
177.00745	7.5
180.08029	4.6
181.09589	5.8
186.99124	13.6
206.08179	4.2
207.07671	22.9
216.38542	3.0
219.01756	5.7
220.09926	5.9
221.10663	6.2
225.08640	6.3
237.02785	22.5
243.01746	6.1
246.11555	4.5
248.09357	3.5
249.10178	67.9
261.02734	26.8
261.10123	7.9
262.10931	3.7
263.11664	43.2
267.11212	5.0
275.11688	68.9
279.03882	5.4
281.12741	33.3
282.02789	3.9
292.14435	27.7
293.12790	17.5
301.00040	4.6
310.15436	16.8
314.12094	7.2
319.01089	4.7
369.04648	13.7
387.13889	20.5
403.03101	6.9
408.07990	3.6
421.04327	8.0
429.16476	4.5
443.18057	42.1
455.18005	7.2
457.06238	6.0
472.20782	60.3
516.12756	5.6
516.19659	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71290	0.6
53.85367	0.5
55.05447	4.7
56.00776	0.6
56.96500	14.3
67.05436	6.3
67.15002	0.7
69.06991	3.1
71.59264	0.6
79.05417	4.1
81.06971	7.4
82.07363	0.7
83.08525	1.3
86.21037	0.8
91.05436	1.7
93.06969	4.9
95.08511	5.0
97.99123	0.9
105.06997	1.1
107.08549	3.1
109.10137	1.1
117.06944	0.9
119.08553	1.3
121.10090	1.5
130.01779	0.8
131.08549	1.5
133.10132	1.1
135.11668	1.2
136.93071	5.0
145.10072	0.9
147.02110	0.7
148.02811	1.0
149.13177	0.7
154.94151	31.2
159.03255	0.9
160.02881	0.7
170.63242	0.7
172.95203	100.0
173.04716	0.9
174.04381	1.0
178.03813	0.7
190.96254	75.7
195.96828	4.2
198.96805	0.9
202.07509	0.7
208.97408	2.6
210.97684	3.0
213.97899	1.3
215.99391	1.3
216.08992	0.9
216.97935	0.9
226.11467	0.8
228.97806	1.1
235.84082	0.8
238.11058	1.5
240.12799	1.2
240.22536	0.8
246.98909	3.1
252.12772	2.9
258.13766	1.2
261.22104	1.4
262.22382	1.2
270.13806	2.9
272.15366	0.8
306.27911	5.2
319.19482	1.3
332.22717	3.7
336.21954	2.5
337.20502	4.2
348.22134	8.7
350.23599	27.8
357.47220	0.7
362.23599	24.7
363.23776	0.9
366.23083	0.8
380.24545	1.1
398.17587	6.3
424.19305	4.5
442.20346	13.2
460.21307	36.0
508.15570	1.1
516.23956	77.1
517.24872	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	516.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	0.8
55.05446	9.4
55.80353	0.6
57.03374	13.2
57.07011	1.3
57.77258	0.7
59.04924	4.2
60.04443	1.3
61.02846	1.2
64.33179	0.7
67.05071	1.5
67.05424	36.4
69.03350	45.4
69.06979	1.8
69.41278	0.7
70.06497	9.2
71.04916	1.2
71.06832	0.8
72.08069	1.6
75.04382	5.0
77.00790	0.7
79.05407	3.0
81.03347	1.9
81.06974	100.0
82.07277	1.1
83.04910	1.0
83.08532	3.8
84.04426	1.7
84.08063	4.7
85.02339	1.7
85.02827	30.9
85.06442	1.0
86.09619	3.4
87.04390	22.8
91.05395	1.3
95.08537	3.3
97.02824	29.9
97.10107	1.7
99.04405	1.6
109.02844	1.0
110.07147	1.7
111.04356	0.9
115.03870	25.3
123.11657	89.3
124.03923	1.4
124.12035	1.1
127.03882	3.1
129.10214	1.6
133.04922	16.7
137.05952	1.0
141.12721	46.1
145.02817	2.9
145.04915	1.7
150.07631	1.6
159.13754	22.8
177.05418	4.4
187.13248	4.3
205.14319	69.3
259.08041	1.4
277.09012	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72870	0.6
53.00244	1.2
53.03874	0.5
55.01796	2.9
55.05449	10.1
56.30543	0.4
57.03369	7.6
57.06741	0.7
57.07014	20.3
61.02846	1.4
65.97128	0.5
66.30721	0.5
67.05426	4.9
69.03348	7.8
69.06992	10.2
69.99225	0.6
71.01271	2.3
71.04899	5.3
73.02837	3.8
79.05407	14.3
81.03319	2.7
81.06978	12.9
83.04893	3.7
83.08555	3.9
85.02837	7.6
85.06464	20.9
87.04364	0.9
87.08017	0.9
91.05405	42.4
93.06980	4.8
95.04889	1.3
95.08528	3.4
97.02819	1.0
97.06456	2.7
97.10098	0.5
99.04377	1.3
99.08006	1.3
103.03850	1.1
104.06156	2.0
105.06976	8.1
107.08559	4.5
108.64017	0.5
109.06464	7.2
111.04384	1.3
111.08032	13.1
115.07541	0.6
116.67184	0.6
117.06945	0.7
121.10101	0.8
123.08022	2.2
125.09593	4.1
127.07500	12.5
129.09068	1.2
133.10095	100.0
134.10434	1.2
135.07956	1.7
147.08041	5.2
149.09596	40.6
153.09074	7.3
171.10126	13.5
189.11192	14.4
337.19888	2.8
485.28925	4.0
510.53259	0.6
519.42175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	1.3
55.05442	8.9
57.03362	9.0
57.07014	38.6
66.99849	1.3
67.05431	18.9
67.46718	1.2
69.06989	9.9
71.08547	27.0
79.05416	36.7
81.06979	61.0
83.08530	10.1
85.10104	13.2
90.61947	1.1
91.05387	1.5
92.10236	2.9
93.06954	7.8
95.08533	99.2
97.10083	3.1
99.08010	1.7
101.02315	2.7
103.07502	1.6
105.06971	28.3
107.08524	1.8
109.10115	8.8
123.08020	100.0
128.63374	1.4
133.06471	2.3
133.10114	1.6
134.68582	1.5
141.09093	13.5
151.07494	16.8
169.08565	8.2
187.09596	16.7
243.12227	43.8
244.12383	1.6
313.27310	48.9
481.35086	53.5
482.35385	2.6
516.39905	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	517.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12325	1.8
51.72344	1.7
54.02585	1.8
56.96503	29.5
66.80130	1.9
70.06508	26.2
71.04917	3.0
72.08073	3.9
78.52205	1.9
79.05405	2.0
84.04430	5.4
84.08072	3.6
84.78214	1.9
84.95957	20.9
85.02834	12.9
86.09631	3.6
98.97504	17.6
102.97023	3.9
110.07117	5.4
111.99332	2.0
112.99086	5.1
116.98578	13.0
126.62630	2.5
128.98622	3.6
129.10150	2.6
130.09819	2.4
131.00105	21.7
134.99652	2.6
136.07520	3.7
143.00102	2.7
144.98135	3.4
146.99603	4.2
149.01167	30.8
150.05539	2.4
151.03876	30.9
161.01157	4.9
162.99168	4.3
167.02274	4.7
168.98042	10.8
169.07660	3.1
170.99660	2.9
173.01108	4.7
173.99718	2.1
177.00777	3.2
181.00157	2.9
184.00412	4.6
186.99110	56.4
189.00714	4.6
191.02293	11.4
199.02701	3.0
205.00183	22.3
206.99583	3.3
210.99083	10.3
224.03526	4.5
225.00554	3.7
227.99451	2.8
237.02866	2.8
242.04555	3.2
243.01743	38.9
246.00500	9.3
249.00713	2.4
253.00128	4.1
261.02780	100.0
289.02164	3.6
301.00171	21.4
313.02396	3.4
319.01178	28.9
351.04019	3.4
369.04828	44.2
387.06064	9.0
403.03201	25.8
421.04376	42.1
439.05505	24.6
457.06342	18.9
475.07321	3.2
517.07880	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	517.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
80.99013	0.8
84.04432	1.0
85.89000	0.8
90.05505	0.9
91.29306	0.8
95.01032	1.5
98.97532	0.8
103.05425	1.2
113.02100	1.3
120.08054	17.4
121.08430	2.1
166.08591	6.0
172.09608	1.2
185.04250	1.7
190.10820	0.9
202.75272	0.9
202.76985	1.0
203.05217	3.8
220.35995	0.9
237.02686	1.1
266.03424	1.0
288.14468	0.9
331.10031	1.6
347.09442	3.3
347.27417	1.2
517.15222	100.0
518.15222	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	517.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	1.0
53.03886	1.6
55.05452	25.4
57.03368	9.5
57.07010	11.4
60.08077	0.8
61.02852	4.8
65.03870	1.3
67.05427	90.5
69.03351	1.7
69.06647	1.6
69.06988	26.5
71.04911	2.0
71.08533	5.0
73.02824	1.1
73.65012	0.9
75.04403	1.1
79.05406	25.4
81.03347	1.3
81.06975	100.0
83.04887	1.8
83.08528	21.9
85.02826	5.2
85.06457	4.2
86.09629	1.9
91.03857	1.4
91.05405	22.0
92.10931	3.2
93.06966	30.6
95.04881	1.7
95.08532	81.3
97.02806	4.6
97.06445	7.4
97.07041	1.1
97.10094	8.6
99.08022	2.0
104.10655	2.3
105.06987	17.7
107.08527	17.0
109.06462	1.5
109.10107	35.9
111.08026	1.9
111.11657	1.5
113.09594	1.3
119.08546	14.9
121.10087	17.4
123.11668	14.0
125.00017	1.0
125.13303	1.0
128.80347	1.0
131.08574	1.7
133.10107	13.9
135.11681	8.2
137.09557	1.0
137.13228	4.6
147.11658	9.1
149.01224	2.1
149.13235	6.0
151.11148	1.2
151.14867	1.0
156.03610	1.9
161.13222	9.4
163.14778	6.2
163.61349	1.1
165.16371	2.0
175.14803	7.8
177.16460	1.2
179.14304	1.4
179.17897	2.3
184.07329	4.0
189.16389	1.9
217.03575	1.0
245.22588	25.7
263.23633	29.3
337.27350	24.6
359.17090	6.9
359.67343	2.1
499.32370	5.2
530.71771	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	517.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	9.1
56.49511	1.7
56.96502	10.1
57.07008	1.8
57.73951	2.0
60.08113	2.0
67.05420	26.1
69.06982	5.2
71.07318	2.6
72.49095	1.8
79.05396	10.5
81.06964	18.6
83.08570	3.0
86.09624	14.0
91.05405	5.1
91.58875	2.1
92.39591	2.0
92.56967	2.0
93.06958	9.7
95.08530	17.9
102.92580	2.8
104.10673	26.9
105.06945	3.0
107.08591	3.7
109.10093	5.2
124.99954	3.4
133.10104	2.6
136.93074	3.0
146.98151	3.3
147.11710	2.4
154.48080	2.1
154.94101	25.4
172.95203	100.0
184.07335	11.4
190.96249	84.7
192.95738	3.0
195.96822	2.5
197.98395	10.4
204.00818	2.2
210.96806	13.9
215.99443	10.8
228.97731	32.2
229.98076	2.6
245.22621	4.0
246.98907	5.1
263.23602	8.1
284.70715	2.1
319.19312	3.7
320.19659	8.6
337.20441	15.3
337.27148	2.8
338.20779	27.7
354.93549	2.4
456.18832	8.9
458.23532	3.4
473.19681	32.0
474.20071	97.5
475.20038	4.2
486.21671	2.3
517.25293	14.9
518.25055	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	517.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	1.6
55.05447	21.0
57.03366	5.8
57.07013	10.0
61.02860	2.0
66.11735	1.1
67.05430	89.4
68.06837	1.3
69.03347	2.5
69.06990	25.9
71.08549	6.4
71.50875	1.0
79.05408	27.3
81.03327	1.7
81.06977	100.0
83.08529	14.5
85.02831	2.9
85.06491	2.0
91.05406	19.7
92.10110	2.7
93.06969	28.3
95.04887	3.0
95.08532	80.0
97.06432	5.4
97.10098	8.7
99.07981	2.0
105.06978	16.7
105.63890	1.3
107.08548	15.5
109.10109	34.9
111.08049	2.6
113.09515	1.5
119.08535	16.2
121.10081	15.0
123.11641	13.3
131.08553	1.8
133.10106	12.5
135.11676	7.8
137.13240	5.7
147.11690	10.1
149.13257	6.0
151.11130	1.5
151.14798	2.8
155.14293	1.6
161.13217	10.0
163.14738	2.9
165.16389	2.9
170.04286	1.4
175.14810	8.0
179.17972	4.8
189.16327	2.4
245.22621	26.7
263.23627	31.4
337.27319	18.5
367.99606	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	517.367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	6.5
55.05442	6.1
57.07013	43.0
58.66176	1.0
60.04451	1.2
61.01078	16.2
66.29262	1.1
67.05438	14.9
69.06992	11.4
71.08546	28.1
72.04431	59.8
77.00147	1.2
78.03709	44.5
78.19138	1.2
81.06980	22.4
83.08546	12.4
84.38068	1.3
85.06467	3.1
85.10103	17.5
86.05926	1.4
88.02160	9.8
92.10238	2.7
95.04926	2.3
95.08536	27.7
97.10120	5.3
99.05523	2.8
102.03706	58.4
103.02126	4.8
107.08528	1.4
108.13211	1.3
109.10115	12.8
113.05944	5.9
114.03715	12.0
115.02100	1.9
120.04762	11.0
123.11666	3.0
124.07549	5.4
130.08545	2.3
131.06339	20.2
132.04753	40.0
142.08597	17.5
149.07419	69.5
159.05823	4.4
164.10254	1.3
184.09720	4.9
221.22591	1.7
231.11644	1.2
239.23676	15.6
243.11697	1.6
256.26340	2.5
261.12534	11.2
268.26306	4.9
310.27322	42.4
387.30334	100.0
388.30420	2.7
452.50125	1.3
499.35480	49.4
500.35968	1.9
505.73859	1.4
517.36157	6.2
540.29523	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	517.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43600	0.7
57.07000	0.9
70.00120	0.9
70.23448	0.8
74.53612	1.0
81.07019	1.0
85.56343	0.9
89.61761	0.9
104.10683	1.5
112.39964	1.0
169.93800	1.0
225.21101	0.9
360.54974	0.9
517.37012	100.0
518.37280	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51347	1.1
54.29945	1.2
55.01805	1.7
55.05460	1.5
55.62267	1.3
56.96481	1.3
57.03370	1.4
58.99488	1.7
67.05422	7.5
69.03344	9.5
69.06995	1.6
70.06507	35.6
72.08057	3.4
72.30407	1.5
74.05968	1.5
76.02138	2.8
77.93303	1.3
81.03312	5.4
81.82272	1.2
83.04902	1.4
84.04418	8.9
84.08064	11.9
85.02824	21.0
86.00561	1.3
86.09626	10.6
86.99015	1.3
88.03876	2.0
91.05399	2.9
94.06489	2.6
95.04884	7.7
97.02817	3.5
99.02632	1.8
102.05435	1.2
105.15543	1.2
109.02815	7.4
110.07127	6.0
111.04376	8.4
112.08672	1.5
115.08677	2.1
116.98546	1.4
118.06461	2.1
120.08086	2.3
122.02655	2.3
123.04364	9.5
124.03975	1.9
124.05177	6.1
125.05933	1.7
126.03705	5.2
127.02072	6.5
127.03893	2.8
129.10272	1.9
135.02693	1.8
137.05901	1.6
139.03879	7.9
144.04753	8.0
151.03851	19.0
152.05267	62.3
153.05466	1.4
155.01585	11.8
155.08176	1.4
158.34496	1.5
167.01538	12.7
170.06279	3.4
173.12773	3.2
180.01053	1.7
185.03613	1.3
189.09093	1.6
191.06932	19.0
197.37997	1.3
197.40938	1.4
198.05795	44.0
201.12167	2.1
207.04706	2.1
207.06506	1.9
216.06841	100.0
217.08630	21.3
221.06313	2.7
231.04715	1.7
249.05751	9.8
267.06775	15.2
302.88553	1.8
323.38126	1.4
356.11536	17.3
429.40509	1.5
518.30670	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	518.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04984	5.5
56.96486	4.8
57.03371	4.4
60.05600	5.1
61.01072	3.3
65.47508	3.1
66.01013	3.0
66.26820	3.0
68.04937	4.0
69.03342	31.7
69.06973	4.4
70.06515	46.5
71.04917	3.9
72.08053	7.5
73.02821	4.0
73.06319	3.7
73.51189	3.1
73.93963	3.9
74.68122	3.3
81.03307	5.3
81.06984	3.0
83.06039	4.6
84.04444	13.5
84.08062	13.9
85.02840	29.9
86.05990	70.3
86.09615	14.2
87.04383	40.2
89.03822	3.5
91.05379	4.1
97.02776	10.9
103.99123	3.1
105.06969	5.6
109.02824	5.7
110.07088	11.8
111.05498	24.7
115.03899	3.4
117.03330	4.2
120.08034	5.5
127.03899	5.9
128.07162	4.1
128.08162	19.4
129.06522	6.2
129.62518	3.8
130.09750	7.6
131.10609	4.2
133.06467	14.3
134.99632	3.7
136.07544	6.6
137.06055	3.4
145.02855	27.6
145.04985	4.3
146.09225	26.7
147.04370	3.5
161.05896	4.8
167.07022	37.1
177.05412	41.6
181.04909	6.0
196.23878	3.6
205.72896	3.9
268.36511	3.3
290.13495	8.1
309.68359	3.7
363.91534	3.9
518.23303	100.0
539.62396	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	518.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50232	0.4
60.08094	10.9
62.14853	0.5
67.05399	0.7
71.07279	4.3
81.06988	0.5
81.34872	0.5
83.32558	0.5
86.09624	53.9
93.06950	0.7
95.08527	0.7
95.59515	0.5
98.98380	4.5
100.23112	0.5
104.10665	6.2
109.93565	0.6
110.49495	0.6
124.99960	43.0
172.95203	0.8
184.07298	100.0
518.32190	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	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81239	0.8
55.05454	2.1
57.03403	0.9
58.06523	1.1
60.08096	29.3
60.77041	0.8
60.93484	0.8
62.56536	0.9
67.05421	4.5
71.07281	11.0
79.05397	2.1
81.06987	2.1
86.09627	88.2
91.05427	1.2
93.06969	2.1
95.08546	1.4
98.98386	5.7
104.10680	100.0
114.82480	0.9
121.10039	0.9
124.99960	49.9
135.11455	0.9
184.07303	99.3
194.43355	1.0
420.60800	1.0
500.31036	5.6
518.32318	33.9
519.32629	1.9
543.41528	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66438	1.7
55.05456	2.0
60.08094	19.8
64.49575	1.7
67.05425	2.7
71.07287	11.0
77.84705	1.8
79.05389	3.6
81.06991	7.2
86.09624	84.7
91.12629	1.6
93.06981	3.5
95.08527	3.3
97.10096	1.8
98.98434	4.1
104.10669	88.1
105.06973	2.4
109.06472	2.4
124.99965	45.1
157.95332	1.9
176.14357	2.0
184.07292	100.0
184.08917	3.8
228.13686	2.2
334.25998	2.1
500.31195	4.0
518.32349	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53728	1.7
53.38386	2.3
54.30782	2.0
54.81705	2.8
55.05452	70.7
57.03371	12.0
57.07014	49.6
63.45395	2.3
67.05433	28.6
69.03346	2.7
69.06991	18.5
71.08546	31.8
77.95180	2.0
79.05410	16.4
79.12965	2.1
80.77090	2.1
81.06965	23.7
83.04905	3.1
83.08539	45.5
85.10101	15.8
88.96022	2.3
93.06964	4.9
95.08553	21.9
97.06466	2.4
97.10098	82.6
98.10428	2.3
107.08524	23.3
109.10097	14.1
123.11694	2.9
125.09576	80.6
134.01801	2.3
134.33755	2.7
135.07994	5.1
141.14050	2.6
171.10075	3.3
187.21852	2.3
189.11191	40.6
227.12712	83.0
239.23511	2.8
245.13838	37.3
248.12550	2.7
259.06918	2.6
313.18835	2.9
313.27243	43.4
350.18259	2.4
367.46490	3.4
483.36722	100.0
484.37115	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	519.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00257	1.3
53.03897	3.7
54.81430	1.6
55.01820	3.7
55.05446	13.8
57.07013	1.5
60.31905	1.4
63.71302	1.4
65.03853	1.9
66.03540	1.3
66.79414	1.3
67.05426	25.6
69.03351	6.2
69.06992	20.1
69.17533	1.7
70.06506	3.5
71.04898	12.5
74.59178	1.4
79.05408	20.9
81.03326	2.6
81.06979	77.4
83.04898	8.5
83.08543	2.6
84.08087	2.8
85.02833	2.9
85.06467	11.6
91.05390	13.0
92.10332	7.2
92.10895	3.3
93.06974	39.6
95.04896	100.0
95.08542	23.2
97.06486	7.3
97.10122	2.7
99.04378	7.4
103.03867	2.8
105.06973	22.3
107.08540	31.0
109.02847	1.8
109.06474	75.4
109.10106	44.8
111.08009	11.7
113.09644	1.4
114.67665	1.5
117.06937	2.6
119.08562	17.4
121.06481	2.7
121.10094	20.2
123.08017	2.6
123.11654	29.2
125.09569	3.4
127.03880	6.0
127.07548	2.1
127.11123	2.7
131.08543	6.4
133.10097	11.0
135.08006	25.5
135.11679	11.5
137.09561	2.9
139.11148	2.0
145.10114	5.5
147.11685	7.0
149.02328	1.9
149.09683	2.0
149.13232	2.7
151.11166	3.8
153.01788	2.7
153.12741	3.7
157.10190	3.5
159.11667	8.4
161.13243	2.9
163.11104	1.9
165.09151	1.8
167.10674	2.0
171.11670	2.3
175.14737	2.1
187.14722	1.6
203.17871	1.9
215.06949	3.3
243.06581	2.1
247.16943	1.8
271.05954	60.5
272.06329	6.2
303.23141	18.7
321.24200	16.3
357.26361	1.9
366.61124	1.6
444.56970	1.9
465.28323	2.4
483.29315	2.3
501.30350	2.5
513.44324	2.0
540.76642	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	519.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00217	1.8
53.03880	2.3
55.01796	2.0
55.05454	73.6
57.03369	14.2
57.07021	32.0
58.06136	1.6
59.88032	1.7
60.08094	7.5
61.02842	3.0
67.05072	2.9
67.05428	73.6
69.03351	2.2
69.06988	100.0
71.04913	2.3
71.07285	3.1
71.08555	16.9
72.08070	14.8
79.05408	38.2
81.06979	71.4
83.08539	68.0
85.02841	6.5
85.06440	2.6
85.10111	14.4
86.09629	32.3
93.06978	48.4
95.04887	2.1
95.08533	76.1
97.02827	2.7
97.06438	13.3
97.10109	36.4
97.54269	1.7
99.08018	2.3
104.10682	64.8
105.06967	2.1
105.11026	3.6
107.08540	33.4
109.10107	35.8
111.08020	3.9
111.11664	11.5
121.10098	50.8
123.11648	9.6
124.99958	8.2
125.09643	2.5
135.11670	39.4
137.13231	2.5
139.11206	2.1
146.98151	10.0
149.13239	17.4
151.14771	3.8
153.21825	2.2
163.14754	8.8
165.16417	1.9
184.07278	16.4
247.24184	30.9
265.25229	61.5
266.25531	2.5
283.26300	7.3
313.27206	1.9
314.27585	3.2
339.28897	60.9
357.29837	8.1
364.68796	2.0
433.29404	13.3
450.42673	2.0
459.24625	10.0
460.25067	15.5
518.32196	7.0
519.32190	13.7
520.35510	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	519.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64501	2.7
55.05451	76.1
57.03362	17.0
57.07014	32.2
61.02848	6.1
65.34860	2.8
67.05077	3.5
67.05425	80.2
69.06985	100.0
71.08537	20.8
76.29163	2.4
79.05402	44.8
81.06969	79.5
83.08538	75.9
85.10092	9.8
86.09628	24.2
91.05386	4.3
93.06966	50.8
95.08535	78.0
97.02818	4.0
97.06454	12.1
97.10093	40.1
101.60323	2.5
104.10674	19.9
107.08546	30.4
109.10113	39.0
111.08002	14.8
111.11655	13.8
121.10091	45.4
123.11639	11.2
124.99950	6.3
125.09519	3.6
133.09995	2.5
135.11649	43.7
139.11130	4.6
149.13191	19.8
151.14755	5.1
165.16418	3.6
184.07292	24.7
247.24150	31.2
265.25180	58.5
271.05862	2.8
283.26163	13.6
339.28854	70.6
357.30197	3.4
403.48505	2.8
464.63364	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	519.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	2.5
53.03879	2.1
53.08628	1.2
55.05455	66.0
57.03369	10.7
57.06775	1.6
57.07014	35.0
59.92085	1.4
60.08107	2.2
61.02862	5.0
65.03855	1.7
67.05080	2.6
67.05428	70.2
69.06990	100.0
71.04887	3.4
71.08553	12.2
75.04404	2.2
79.05410	38.7
81.06978	79.0
81.12006	1.5
83.08540	64.6
85.02821	7.7
85.10085	7.9
86.09628	13.4
91.03893	1.9
91.05396	6.1
93.06970	52.7
95.04903	2.3
95.08537	79.1
95.09145	2.6
97.06467	11.1
97.10108	39.2
104.10058	1.3
104.10675	12.9
107.08546	31.8
109.10104	33.3
111.08061	11.0
111.11679	10.3
113.09586	1.4
121.10105	62.4
123.11678	10.2
124.99915	5.6
125.09631	2.3
135.10641	2.4
135.11656	41.5
137.13199	1.4
139.11118	1.9
143.65001	1.5
149.13252	15.7
153.12634	2.6
163.14767	3.5
165.16342	2.6
177.16409	2.3
184.07347	12.2
191.17978	2.2
247.24190	25.1
265.25198	62.7
271.05954	1.9
283.26254	9.8
339.28900	62.7
357.29849	8.0
520.33832	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	520.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05001	1.0
57.03364	1.1
62.02556	1.0
62.66420	0.8
63.34343	1.0
63.73108	0.8
67.86505	1.0
69.03336	2.2
70.06516	14.5
71.04921	0.9
72.08069	2.4
81.03334	1.2
83.81931	1.0
84.04428	7.6
84.08068	5.6
85.02824	12.7
86.09628	1.3
95.04914	5.5
97.02836	3.5
110.07124	5.5
115.08611	1.3
117.03288	1.3
120.08067	2.0
121.57650	1.1
122.05997	5.8
124.03923	4.3
127.03868	1.8
129.10197	1.1
130.04970	1.2
133.06421	1.1
135.03101	5.8
136.07545	1.9
141.05453	1.5
145.02838	5.8
146.03255	1.4
150.05478	66.8
150.06680	2.2
161.05928	1.0
166.71918	1.1
174.14856	1.2
177.05469	8.3
178.04947	100.0
179.05238	1.4
196.06036	15.3
209.04436	4.2
211.19695	1.1
268.08325	1.2
307.08578	1.1
336.37836	1.2
375.23398	1.2
520.20502	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02312	0.9
53.03888	3.7
53.78111	0.4
54.82286	0.4
55.01809	0.5
55.05446	0.5
56.04972	0.6
57.03360	1.3
61.02839	0.8
62.10762	0.4
64.31978	0.4
69.03347	12.5
69.07003	0.7
70.06509	9.8
71.04893	2.1
71.06815	0.5
72.08077	1.0
73.06450	1.8
78.03368	8.6
80.04928	1.1
81.03339	21.7
83.06025	1.0
84.04424	3.8
84.08065	1.9
85.02826	14.3
86.09616	1.1
90.19808	0.5
91.05402	0.9
92.10306	1.1
96.04423	4.8
96.04948	0.5
97.02832	7.7
99.04373	3.5
106.02859	53.9
109.02824	12.2
110.07127	2.5
116.07047	0.7
120.08061	0.6
124.03911	100.0
125.59897	0.5
127.03869	6.6
136.07565	1.0
145.04950	0.8
147.04446	0.6
166.05023	0.7
170.13446	0.6
177.00775	0.7
177.05399	0.8
189.08121	0.6
195.48737	0.5
200.14233	0.5
250.07036	15.1
268.08084	28.0
286.09189	0.8
358.14780	0.8
384.91937	0.5
412.12314	0.7
430.13419	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	520.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38694	0.5
53.03884	4.6
54.08347	0.5
55.01812	0.7
55.05442	0.6
56.04965	0.8
56.96512	0.9
57.03362	1.1
57.07018	0.6
57.72964	0.6
59.82988	0.6
60.04454	0.8
61.02851	0.7
69.03349	13.0
70.06500	10.7
71.04894	1.7
72.08054	1.1
74.05958	0.6
78.03362	9.5
78.22014	0.7
79.05338	0.8
81.03335	27.0
84.04433	4.1
84.08068	4.3
85.02826	15.2
86.06016	0.7
86.09637	1.7
87.04383	1.1
91.05392	0.7
96.04414	7.1
97.02817	10.5
98.97501	1.0
99.04378	6.2
106.02858	63.2
108.35798	0.7
109.02817	13.4
110.07113	4.0
112.08656	0.8
119.04844	1.0
120.08052	1.0
124.03912	100.0
127.03851	8.0
136.07564	0.9
137.06027	0.9
145.02820	0.7
145.04942	1.1
145.33740	0.7
150.05502	4.7
152.76186	0.7
178.04933	7.0
188.09338	0.8
196.05988	1.7
232.05992	1.4
250.07033	15.1
255.94635	0.7
263.85922	0.7
268.08099	28.7
286.09134	1.3
313.08115	0.8
339.87204	0.9
349.84125	0.7
357.27463	0.7
412.12155	1.4
430.13242	17.5
520.19843	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	520.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15509	2.9
51.50783	2.7
55.01817	4.6
55.05442	23.5
55.31470	3.2
57.03373	7.2
60.04435	19.2
60.08077	3.9
64.33505	3.0
65.05899	3.0
67.05429	55.1
69.06977	16.2
70.02834	3.7
70.58920	3.1
71.01367	3.5
71.90922	3.5
79.05412	41.9
81.06985	47.1
83.08537	5.5
84.04420	3.9
85.06489	4.2
86.09608	21.8
88.03918	100.0
91.05373	17.6
92.64337	3.7
93.06971	38.7
93.93798	3.5
95.04885	4.1
95.08545	38.5
98.98389	71.9
104.10652	4.1
105.06915	4.9
106.05000	28.4
107.08505	17.8
109.10090	8.6
117.06961	4.3
119.08477	6.5
119.64983	4.1
121.10097	7.1
123.08025	5.1
123.11691	4.3
124.99911	4.7
131.08488	7.8
133.10075	6.2
135.11615	5.7
149.13158	3.9
155.01035	13.1
162.02187	4.3
164.47226	3.4
173.02025	5.5
184.07359	33.2
261.22192	7.5
335.25790	72.5
430.80020	3.5
463.02466	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	520.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88790	0.3
56.04964	0.4
57.41022	0.3
60.08094	8.9
65.08750	0.3
67.05418	0.7
68.40856	0.4
71.07289	5.0
81.06969	0.6
86.09630	53.8
93.07006	0.4
98.98386	5.4
104.10683	4.7
124.99964	41.5
128.10962	0.4
129.00558	0.4
137.25645	0.4
184.07309	100.0
207.18298	0.4
213.02870	0.4
214.56902	0.4
227.12720	0.4
235.93541	0.4
248.14108	0.4
299.59018	0.4
326.04947	0.4
456.02728	0.3
502.33008	0.6
520.33966	3.7
523.04370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33013	0.6
55.05442	0.8
56.04955	0.7
57.29514	0.7
58.06520	1.0
60.08098	22.8
67.05425	4.9
69.06976	1.1
71.07291	9.6
76.06310	0.7
79.05417	1.0
81.06970	5.1
86.09627	72.8
93.06947	0.8
95.08529	3.6
96.32549	0.8
98.98397	5.1
104.10679	99.0
124.99963	44.5
163.01541	0.9
180.26260	0.8
184.07301	100.0
229.73633	0.8
502.32642	7.7
520.26550	1.4
520.33905	34.8
521.34198	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	521.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	1.5
53.19755	1.0
54.82130	1.3
55.01822	1.4
55.05455	8.7
57.06997	2.5
61.02827	1.0
67.05429	10.5
69.03347	2.7
69.06984	20.7
70.06492	5.5
71.04893	1.7
78.73038	1.0
79.05391	6.4
81.03364	1.8
81.06974	36.8
83.04866	2.4
83.08524	2.3
84.08047	2.8
85.02802	5.8
85.06458	2.5
86.09643	1.6
91.05398	4.9
93.06976	17.9
95.04893	100.0
95.08523	19.5
97.06451	2.7
97.10094	1.2
105.06965	8.0
106.02880	1.8
107.08541	12.3
109.02831	1.4
109.06463	42.4
109.10110	16.7
110.07050	1.3
111.08033	2.5
111.11645	2.5
119.08508	7.2
120.08015	1.6
121.10093	8.4
123.07996	1.5
123.11652	12.6
124.03860	1.9
127.03905	2.7
127.07491	6.1
129.10204	1.4
131.08513	2.9
133.10069	5.6
135.08029	15.0
135.11662	6.2
137.13213	6.4
139.11101	2.4
145.10112	1.8
147.11647	5.6
149.09624	1.8
149.13177	2.6
151.11113	5.0
157.10109	1.5
159.11620	2.7
163.11151	2.4
163.14700	1.5
165.12671	1.2
167.10652	1.6
167.38753	1.1
173.13222	1.4
179.10632	1.6
211.33199	1.3
213.16310	1.7
269.22507	1.3
287.23672	8.1
297.44888	1.2
305.24792	16.9
323.25705	16.0
334.86844	1.2
341.26843	5.3
477.72073	1.5
486.90225	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	521.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52216	0.7
55.05446	1.3
57.07007	6.5
67.05418	1.1
67.31296	0.7
69.06971	1.1
70.80695	0.6
71.08532	3.6
81.06987	2.9
85.10085	3.0
95.08530	3.8
96.95146	0.6
105.06926	1.0
109.10074	1.0
123.07999	0.9
152.21490	0.8
184.07281	1.2
209.07797	26.6
265.10339	3.7
312.73026	1.0
313.27426	1.3
339.79510	0.9
462.42133	0.8
521.34180	100.0
522.34680	5.3
542.89484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84120	0.7
50.88309	0.7
55.05455	1.0
57.03379	0.9
57.07008	6.3
64.34198	0.7
67.05417	2.9
69.06992	1.2
71.08532	3.7
79.05392	0.8
81.06956	3.6
81.88853	0.8
83.08544	1.3
86.09614	1.6
92.37949	0.9
95.08510	3.3
97.10093	1.1
104.10694	0.8
109.10139	1.0
124.99855	0.9
150.65936	0.9
151.58182	0.8
161.56403	0.9
184.07281	2.7
184.62842	0.7
209.06017	1.5
209.07832	26.1
257.37598	0.9
265.10406	3.6
280.43179	0.7
313.27322	3.9
396.16943	1.0
510.74710	0.9
521.34216	100.0
522.34467	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	522.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62900	1.2
53.03880	7.6
53.73535	1.3
55.01806	2.2
55.88120	1.3
56.04983	1.5
56.96499	2.1
57.03373	6.4
61.02846	9.0
69.03354	24.5
70.06512	18.3
71.04902	7.6
73.02818	8.0
73.32095	1.4
74.06002	1.4
81.03333	25.1
84.04422	2.7
84.08066	2.6
85.02827	83.8
86.09625	1.7
87.04371	1.5
89.70455	1.4
91.03888	3.6
91.05402	2.0
97.02827	52.3
99.04389	61.8
99.75590	1.3
102.05415	2.2
103.03877	76.7
109.02823	26.3
110.07138	2.3
114.37257	1.7
116.98547	2.2
120.08093	1.7
122.65733	1.4
127.02931	3.4
127.03880	100.0
128.04221	1.9
129.10191	2.8
136.07552	2.5
140.04732	2.1
145.04939	36.6
154.20432	1.5
158.45087	1.5
161.01273	1.7
163.05989	20.2
163.07494	5.9
164.03319	1.6
177.05415	2.2
181.04895	7.0
199.05962	1.8
230.08009	1.8
237.02789	2.0
254.07971	2.8
271.08063	2.8
289.09027	2.7
484.08972	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	522.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	0.6
55.01815	6.3
57.03382	8.7
57.09461	0.5
60.43602	0.5
61.02555	1.1
61.02856	19.3
61.03168	0.8
68.34239	0.6
69.03352	28.3
70.72791	0.5
71.01238	0.6
71.04902	3.0
71.86892	0.6
73.02831	11.9
81.03338	6.0
84.53167	0.5
85.02831	100.0
86.03140	0.7
87.04391	1.2
91.03886	19.0
97.02824	34.8
99.04386	8.8
101.02317	5.9
101.76987	0.7
103.03893	1.2
109.02841	8.2
115.03890	4.2
127.03878	52.5
145.04935	35.9
163.05989	25.3
176.95781	0.6
289.09021	2.2
325.11288	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	522.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32196	0.8
50.89423	0.8
54.05967	1.0
55.05450	25.1
57.03387	9.8
57.07001	4.7
58.82134	0.9
59.42760	0.9
60.04451	17.8
67.05077	2.1
67.05428	54.0
67.51568	1.1
69.06991	27.0
70.02859	2.7
71.04871	0.9
77.27536	1.0
79.05402	13.5
81.06503	2.3
81.06973	52.8
83.08552	10.3
85.06444	1.8
88.03916	100.0
91.05408	6.0
93.06964	17.9
95.08530	42.8
97.10083	4.8
98.98400	65.7
105.06975	5.6
106.04971	21.6
107.08565	8.0
109.10111	15.5
113.13564	1.0
116.99464	2.4
119.08522	5.2
121.10099	4.4
123.11662	4.3
133.10068	4.8
135.11673	5.4
137.13263	1.3
147.11676	2.7
149.13278	1.7
151.14729	1.3
152.80511	1.0
155.00990	18.0
157.02512	1.1
161.13181	1.9
173.02122	7.6
183.81927	1.1
195.52365	1.1
242.04268	1.5
245.22601	5.3
260.05273	1.1
263.23672	15.0
337.27307	64.5
350.27048	8.7
357.14484	1.3
417.24231	1.8
504.27106	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	522.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23556	0.3
52.26637	0.2
56.04964	0.5
57.03358	0.4
57.07019	0.2
58.06522	0.4
60.08093	10.3
67.05376	0.2
69.06972	0.4
69.20605	0.2
71.07291	4.4
79.05416	0.3
80.30949	0.2
83.08524	0.5
86.09624	46.9
87.09952	1.2
92.64008	0.4
98.98392	4.0
104.10683	4.0
124.99960	34.4
148.36984	0.3
184.07301	100.0
185.07602	1.6
504.34122	0.6
522.35498	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	522.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02271	0.8
55.05444	1.9
60.08094	24.2
62.77590	0.8
67.05402	1.2
69.06982	2.1
71.07288	10.2
76.56346	1.0
79.47027	1.0
86.09627	73.0
98.98387	7.9
104.10680	95.8
118.60553	1.1
121.68674	1.0
124.99957	42.3
133.18144	1.1
149.61153	1.0
169.69514	1.2
178.22116	1.1
184.07301	100.0
302.68304	1.1
339.28656	1.2
439.54407	1.3
468.55582	1.1
504.34308	7.1
522.35486	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52626	0.3
55.11145	0.3
57.07013	0.4
69.03332	0.5
75.32946	0.4
79.05404	2.1
80.32048	0.3
80.82031	0.3
82.57886	0.3
85.73627	0.3
91.05396	3.6
92.10122	0.6
93.06957	2.1
95.04869	0.7
103.05435	0.5
105.06967	29.9
106.07292	0.7
107.08537	0.5
109.10106	0.4
117.06917	0.5
119.08528	19.1
121.06452	24.2
121.10077	0.7
133.06453	81.9
133.10063	3.9
134.06818	1.9
134.10883	0.7
135.08015	8.1
136.06126	0.5
136.08794	0.5
137.09589	16.5
144.09264	0.4
147.08034	10.0
147.09128	0.6
149.09590	2.8
149.13223	5.2
151.07506	6.8
159.11722	0.4
161.09593	5.8
165.09099	3.3
168.20647	0.4
177.07928	1.4
177.09082	66.2
177.12694	100.0
178.09460	2.0
178.13127	3.3
235.32489	0.3
241.12173	11.0
285.14771	26.0
286.15115	1.3
297.18387	0.6
341.21158	1.3
393.20505	3.0
472.01459	0.3
522.37579	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	0.4
55.01802	0.4
57.03373	0.8
61.02851	1.4
65.03862	2.2
69.03343	2.2
70.06499	0.3
71.04908	0.4
73.02489	0.0
73.02827	0.6
79.04124	0.1
80.04928	16.5
81.03336	1.3
81.05263	0.1
83.01299	0.1
85.02824	10.9
86.03158	0.1
86.09624	0.3
87.04392	0.3
90.03365	0.1
91.03867	0.6
92.04929	0.6
93.03332	0.1
96.26787	0.1
97.02817	3.2
97.05222	0.1
99.04398	0.6
101.02344	0.1
103.03854	0.1
108.04420	2.8
109.02831	1.0
110.05976	1.0
110.07111	0.1
111.04383	1.2
119.03645	0.1
124.03844	0.1
127.02927	0.1
127.03869	2.3
136.03909	13.8
136.07483	0.1
137.04346	0.1
137.49756	0.1
145.04939	2.8
145.39981	0.1
151.03857	0.3
163.05968	0.6
164.03386	100.0
165.03726	1.8
177.51180	0.1
181.03552	0.1
182.04446	24.3
183.04750	0.3
198.20309	0.1
282.33994	0.1
325.11145	0.3
326.08542	0.1
344.09473	0.3
530.89032	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	523.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64217	0.3
53.03879	0.5
55.01812	0.4
55.49290	0.3
56.96494	0.4
57.03364	2.1
57.92946	0.3
60.51999	0.3
61.02858	3.1
69.03352	5.8
69.96990	0.4
70.06514	0.5
71.04883	0.5
73.02837	0.6
73.51205	0.3
81.03338	2.7
84.04424	1.3
85.02830	22.4
85.03344	0.8
87.57214	0.3
91.03853	1.2
91.05413	0.5
94.04073	0.3
97.02819	6.6
98.51164	0.4
99.04424	1.1
109.02869	2.4
109.70563	0.4
110.05996	4.3
119.04884	0.6
122.03603	1.6
126.58485	0.4
127.03881	5.4
130.06487	0.5
131.04832	0.6
136.07515	0.5
137.05954	100.0
138.06305	0.7
145.04958	3.3
151.07529	1.9
159.77220	0.3
163.06094	0.7
163.07559	1.6
175.07591	0.3
181.08548	7.4
182.08084	1.9
188.07153	0.4
200.07991	0.3
203.06990	0.4
307.11597	0.4
420.73856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66415	1.4
52.23673	1.5
56.96497	3.5
57.07003	2.7
60.08079	3.8
64.33494	1.7
67.05424	2.4
69.22181	1.6
81.06941	7.4
86.09607	7.9
93.06970	2.7
95.08562	2.2
104.10686	16.2
105.06966	2.0
105.10999	2.0
105.35532	1.7
124.99950	2.8
132.88593	2.1
136.93112	3.0
154.94115	17.9
159.31560	1.9
172.95197	100.0
180.63037	2.0
184.07292	11.4
185.07605	2.9
190.96237	87.7
195.96916	2.7
210.96733	12.8
213.97778	2.7
228.97803	41.8
246.98816	13.0
308.87595	3.1
318.34821	2.1
331.21548	2.5
431.18698	3.1
449.19675	18.8
467.20648	12.9
483.44046	2.1
491.29233	2.1
523.23541	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01264	2.6
51.33438	2.5
55.01809	3.1
55.05453	29.1
55.96379	2.4
56.06232	2.6
57.07003	4.7
67.05426	19.5
69.06984	28.2
69.68354	2.2
70.06522	3.0
71.04910	5.1
71.08539	3.8
75.07864	2.3
79.05403	15.0
81.06976	100.0
83.04906	6.0
84.08098	4.4
85.06452	4.9
89.67934	2.1
91.05391	15.3
93.06979	56.9
95.04922	3.9
95.08535	44.6
97.06506	3.5
105.06982	28.2
107.08559	35.5
109.10116	24.4
119.08525	15.3
121.10082	21.8
123.11661	37.6
130.43353	2.8
131.08553	2.8
133.10104	20.5
135.11681	20.6
137.13242	9.3
139.54204	2.2
147.11661	13.2
149.13248	10.2
153.12657	2.6
159.11606	3.9
161.13170	3.3
215.17949	11.5
216.18044	2.5
233.18843	3.1
244.59752	2.6
251.20026	15.2
271.24066	4.7
289.25058	17.9
299.35400	2.7
307.26276	14.0
325.27255	4.8
377.31836	2.9
526.05414	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	523.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42984	0.3
51.82545	0.3
55.05434	0.9
57.03370	1.7
57.07014	6.6
65.59347	0.3
67.05413	0.7
69.06984	1.8
70.54194	0.4
71.08552	3.4
81.06981	1.0
83.08535	0.8
85.10108	2.3
95.08546	3.2
97.10106	0.8
107.08566	0.5
109.10079	0.6
117.82027	0.4
205.37929	0.4
211.09409	10.1
267.11948	0.8
279.75595	0.4
288.74969	0.4
309.48615	0.5
313.27295	3.8
324.53024	0.5
325.28500	0.4
523.35968	100.0
524.36395	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	523.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17538	0.6
74.65722	0.7
84.98915	0.7
130.86977	0.7
211.09401	1.1
267.12100	1.0
327.36469	0.7
352.01691	0.8
363.91669	0.7
372.72467	0.7
523.35962	100.0
524.36267	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	524.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75381	1.4
52.92994	1.3
55.05455	11.6
56.51355	1.3
57.03368	7.2
57.06731	2.9
57.07012	72.2
58.28482	1.2
67.05424	19.6
69.06984	14.5
71.08545	61.5
73.02818	1.9
75.04405	2.4
81.06976	28.1
83.08530	23.1
85.02824	9.8
85.10106	31.6
86.09631	2.0
92.10195	1.5
93.06931	3.1
95.01256	14.3
95.08532	45.8
97.10096	7.2
104.83099	1.5
105.22617	1.5
109.10102	19.1
114.37272	1.9
116.13438	1.7
123.11655	6.5
141.01813	9.9
169.50175	1.8
184.07288	2.3
239.23648	22.1
257.24701	3.1
313.27304	100.0
314.27692	1.7
331.28406	18.8
394.24530	1.6
506.37650	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	524.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78843	0.6
55.87109	0.5
56.04966	1.2
57.07015	5.0
58.06526	0.9
60.08094	19.4
64.09740	0.6
69.32253	0.6
71.07290	8.3
71.08536	2.8
75.75703	0.5
85.10088	1.1
86.09626	67.6
92.10265	1.3
93.47935	0.5
98.98404	4.9
104.10678	93.8
106.71482	0.6
115.45315	0.6
124.99960	43.4
184.07309	100.0
341.30539	1.2
486.63425	0.7
506.36136	7.8
524.36987	36.4
525.37006	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	524.371
Annotation	enantio-PAF C-16
Peak:m/z	Relative Intensity
56.04967	0.4
57.07003	0.5
60.08098	9.8
71.07289	4.5
71.08534	0.7
86.09629	53.9
87.09963	0.7
98.98392	3.7
103.02722	0.3
104.10691	4.1
124.99966	39.2
126.23743	0.3
133.31171	0.3
184.07309	100.0
185.07628	1.7
280.17358	0.3
302.99905	0.3
506.35892	0.6
524.37091	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	524.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96865	4.7
53.62237	6.6
54.82014	5.9
55.05453	13.1
57.07001	71.4
60.59836	5.5
61.01349	6.8
61.02865	7.7
66.30825	6.1
67.05432	11.8
67.53183	5.9
69.06990	25.8
71.08555	36.8
81.06998	14.5
81.74127	5.8
83.08576	22.0
85.10130	16.1
95.08524	26.3
109.10100	8.1
114.57557	6.5
122.19627	6.7
164.89122	6.8
195.91258	7.4
239.23570	11.8
310.07416	7.9
313.27344	100.0
331.28238	39.4
354.39651	6.6
525.31451	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	524.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28282	2.9
52.81455	3.0
54.81891	2.8
57.75003	2.9
59.38426	3.3
76.56337	3.6
81.06945	5.4
83.75792	3.5
86.09628	15.5
97.59397	3.5
104.10683	22.1
106.55379	3.2
107.61732	4.3
114.37715	3.7
124.99978	6.7
184.07314	19.0
264.90027	4.1
421.32596	8.6
437.32312	83.4
524.31873	4.7
524.39160	100.0
525.32843	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	525.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72410	0.4
55.01807	2.8
55.05467	0.8
56.04965	0.9
56.96488	1.0
57.03373	3.4
58.06547	2.2
60.04444	0.8
61.02854	1.2
68.04945	0.9
69.03338	2.8
70.06506	13.5
71.01258	1.1
71.04925	0.5
71.06844	0.8
72.08072	3.7
73.02820	3.0
83.06007	0.7
84.04444	5.3
84.08067	14.8
84.24631	0.5
84.26937	0.6
85.02825	4.3
86.09652	2.1
91.05392	4.6
95.06068	0.7
97.02834	0.9
98.09635	3.5
100.07548	1.4
101.07118	0.7
102.05503	0.7
103.05426	0.7
106.06510	0.8
110.07124	4.8
110.09629	0.9
112.11192	23.9
113.07072	2.5
116.07024	1.2
117.03331	2.6
119.04895	14.5
120.08067	1.3
124.04061	0.6
124.05100	0.8
129.10205	2.7
129.13853	12.4
136.07581	0.8
137.05974	2.7
145.02844	9.4
147.04390	49.4
149.05913	0.9
151.03888	0.7
152.08153	1.0
155.11754	7.7
163.03780	0.7
170.30838	0.6
177.05424	16.6
185.08101	0.9
201.06461	0.9
203.08000	0.9
204.08589	6.3
204.10283	3.3
215.07968	1.2
216.08772	100.0
217.09212	2.9
218.10394	3.6
225.06429	8.4
225.09848	1.4
226.07202	2.3
229.20341	1.3
230.10347	12.4
233.12805	2.5
234.11206	11.2
240.08754	62.4
241.09325	2.8
246.09785	4.8
255.09811	0.8
258.09927	3.3
268.05496	0.9
268.08127	6.9
272.11493	3.6
275.17532	1.4
283.09302	0.7
300.07422	1.4
300.10855	41.7
301.11060	1.2
301.15176	0.8
305.18604	3.0
311.09048	0.8
333.13104	1.1
338.18289	0.8
343.11600	0.9
361.12506	7.8
375.14188	4.3
375.24008	1.4
393.15128	34.3
394.15613	1.1
525.30664	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00993	0.2
55.01814	0.2
55.05434	0.2
56.04953	0.3
58.06531	5.0
65.03836	0.5
70.06500	2.7
72.08068	3.7
73.09570	0.2
81.03313	0.2
82.26456	0.2
84.04424	0.4
84.08060	20.7
85.02824	0.4
85.08378	0.2
86.09628	0.3
89.03831	1.3
91.05398	7.5
92.10229	0.3
98.09618	8.0
100.07537	4.6
105.06872	0.2
107.04933	0.3
109.79639	0.2
110.07111	0.8
110.09650	1.7
112.11182	50.7
113.07072	4.2
113.11520	0.3
115.08657	0.2
117.03322	4.9
119.04886	24.7
120.05267	0.2
120.07995	0.3
129.10164	0.3
129.13828	29.3
134.03741	0.2
135.04378	0.3
136.07501	0.2
137.05933	4.5
137.66481	0.2
145.01881	0.3
145.02815	21.8
147.04376	100.0
148.04694	1.6
149.05925	1.9
149.92804	0.2
153.10312	0.2
155.11757	17.0
169.13321	0.8
172.14417	0.2
176.07034	0.2
177.05418	36.6
178.05766	0.9
200.17577	0.3
204.10164	11.3
205.10474	0.3
212.17546	1.4
214.19150	1.3
218.10345	1.0
218.12096	0.5
229.20163	3.2
233.12776	6.1
234.11182	26.2
235.11687	0.3
236.13048	0.2
275.17502	3.0
279.36237	0.2
301.15344	1.9
305.18509	8.4
306.19031	0.3
346.21268	0.3
349.25952	2.2
358.21356	0.9
360.22803	2.5
361.26035	0.3
375.23792	4.8
379.26974	2.1
451.22202	0.5
492.16660	0.2
494.69052	0.2
508.27975	0.3
525.30579	78.8
526.30865	5.6
539.65118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64512	0.6
53.03892	3.1
53.50322	0.6
54.81660	0.7
55.01810	3.2
55.05429	1.3
56.04979	1.3
57.03371	6.1
58.29785	0.7
59.04922	0.7
60.04440	1.6
61.02856	10.0
65.03860	3.9
65.37838	0.7
67.05440	0.9
69.03349	21.9
69.06976	0.9
70.06513	14.6
71.04893	4.0
72.04427	1.7
72.08066	2.0
73.02836	4.3
74.05968	0.8
76.96780	0.8
79.05450	0.8
81.03338	11.5
82.04068	0.7
83.06084	0.9
84.04428	4.5
84.08055	4.3
85.02830	93.5
86.03170	1.1
86.09618	1.7
87.04402	3.1
90.05489	10.3
91.03879	1.8
93.03354	0.8
95.04899	3.3
97.02825	28.8
97.06451	1.1
98.02330	0.8
99.04369	6.9
103.03880	1.6
107.04924	1.1
109.02834	10.0
110.03603	12.4
110.07103	4.5
111.04404	9.0
115.32664	0.8
116.03430	1.3
116.07175	0.7
124.07558	1.4
125.05951	61.5
127.03873	20.2
127.04792	1.3
129.10146	1.5
134.28714	0.8
136.07559	1.1
144.06512	0.9
145.04944	18.8
147.04344	1.4
153.05449	100.0
154.05902	1.3
163.05966	6.1
170.05751	4.1
184.09599	1.4
185.08055	89.0
186.15900	0.9
190.58336	0.8
197.08086	4.1
202.10728	3.4
220.11787	13.7
220.87668	0.9
227.09142	1.0
293.10168	1.0
332.15292	1.0
477.13422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	0.3
57.03371	0.6
61.02853	1.4
69.03355	2.5
73.02840	0.5
75.04376	0.3
81.03358	1.4
85.02826	12.9
87.04411	0.3
91.12949	0.3
95.01253	1.3
97.02818	3.6
98.97563	0.3
99.04372	0.5
109.02820	1.6
110.03607	5.9
111.04401	1.2
116.98564	0.3
123.04383	0.7
125.05952	27.6
127.03859	2.7
134.51242	0.3
138.03200	0.3
139.03862	3.8
145.04955	1.4
153.05444	62.8
154.06227	22.3
154.07535	0.4
155.03336	2.0
155.06929	0.6
163.06027	0.3
164.03387	1.1
165.03642	0.3
170.05699	12.5
185.08054	100.0
186.08371	2.2
194.05684	0.4
209.07957	0.5
251.09001	0.5
293.10135	0.3
302.59891	0.3
311.11227	1.2
328.43591	0.3
347.13361	1.1
442.06900	0.3
548.29279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00234	1.4
53.03886	0.8
55.05191	1.1
55.05447	24.0
57.03368	12.5
57.06996	2.3
60.55264	0.8
67.05079	1.9
67.05426	55.2
69.06985	30.3
71.04893	1.9
79.05413	15.0
81.06970	65.8
83.04867	1.2
83.08539	9.6
91.05411	7.7
93.06973	19.5
95.04855	1.1
95.08530	45.2
97.06449	4.8
97.10093	6.0
97.76868	0.9
98.98396	54.9
105.06955	7.5
105.83858	1.0
107.08545	9.9
109.10106	13.9
116.99438	1.3
119.08542	8.1
121.10137	7.5
123.07972	1.4
123.11641	6.5
133.10085	5.2
135.11652	1.7
137.13254	1.4
142.53299	1.2
147.11626	1.8
155.01028	18.7
161.13240	1.3
173.02057	4.7
175.14767	1.5
234.22339	1.2
245.22498	2.3
263.23517	5.6
319.26410	1.3
337.27289	100.0
338.27631	2.4
473.26532	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	526.314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.8
53.27499	0.8
55.05188	1.1
55.05452	28.3
57.03370	13.3
57.07004	1.2
57.88001	0.8
59.04928	0.8
61.87381	0.8
67.05431	55.4
69.06988	31.5
71.04893	1.5
71.17152	0.8
79.05407	14.6
81.06973	54.8
83.04881	1.4
83.08544	11.3
91.05402	9.7
93.06963	15.4
95.04887	1.2
95.08531	42.8
97.06464	3.6
97.10109	5.0
97.57338	1.0
98.98402	40.8
105.06973	6.6
107.08529	9.2
109.06446	1.0
109.10118	14.5
119.08540	4.0
121.10075	5.4
123.11626	5.3
133.10115	5.3
135.11649	1.6
137.09575	1.2
137.13295	1.2
147.11693	1.4
155.01013	11.5
161.13223	2.3
173.02069	2.2
173.56252	0.9
175.14825	1.5
229.04726	1.2
245.22452	1.4
247.05586	1.8
250.79912	1.0
263.23679	4.3
337.27295	100.0
338.27698	1.5
473.26370	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	526.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05459	17.4
57.03363	10.5
57.07008	6.3
67.05075	3.6
67.05428	100.0
69.07000	15.1
71.08530	3.3
79.05396	11.2
81.06969	40.9
83.08524	10.7
83.77125	2.0
89.05951	70.2
91.05394	11.7
92.10896	2.8
93.06949	11.7
95.08540	25.6
105.06970	2.1
107.06987	1.9
107.08565	6.1
109.09399	3.0
109.10103	58.3
119.08488	4.3
121.10114	3.9
123.11625	2.3
125.89500	1.9
133.08582	30.1
149.87947	1.8
165.21852	2.1
168.00314	1.8
173.11722	12.6
177.11189	8.7
229.14272	27.3
257.68005	2.1
263.23669	1.9
327.20062	31.9
337.27325	30.5
347.20660	2.5
440.58344	1.8
491.37225	53.7
506.28952	1.9
509.00623	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	526.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00257	0.9
54.81379	1.2
55.10872	0.8
57.06733	1.8
57.07016	56.4
69.06989	6.6
71.08549	39.4
73.06465	5.1
85.10114	18.8
87.04388	4.7
89.05956	100.0
92.10826	1.4
97.10081	2.2
99.11663	1.8
104.10655	1.2
107.07033	2.2
111.11626	1.1
113.13185	1.5
120.54491	1.0
133.08580	35.8
135.67270	1.0
136.59224	1.1
177.11154	12.6
183.21133	1.2
204.52330	1.2
205.30692	1.0
221.13943	2.0
239.14793	1.2
271.26199	1.5
283.17395	1.9
315.28897	5.7
327.20032	26.4
509.40390	22.4
526.25049	1.7
526.43011	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.158
Annotation	Maltotriose
Peak:m/z	Relative Intensity
55.63705	0.4
56.67345	0.5
64.69825	0.5
71.94147	0.5
80.45218	0.5
182.99284	0.5
185.04190	19.8
203.05238	28.9
220.67419	0.5
305.08267	0.8
309.72705	0.6
347.09402	13.1
365.10477	83.6
366.10587	0.9
392.50217	0.6
527.15735	100.0
528.16003	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	527.313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81714	0.8
57.07005	1.1
66.18552	0.7
81.06977	1.2
83.60412	0.7
87.04400	1.1
89.05959	17.8
90.06296	1.4
92.10220	1.6
133.08566	5.8
135.96507	0.7
177.11179	1.2
197.11703	1.0
206.12999	0.7
216.17912	1.0
306.15942	4.7
327.20074	5.7
328.20575	0.9
384.10825	1.0
400.52612	0.9
482.27921	3.3
526.41180	1.1
527.31244	100.0
528.31476	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	528.169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81973	1.9
63.95347	1.7
70.06512	9.7
82.02238	1.7
84.04427	2.3
84.08096	3.9
84.74969	1.9
85.02850	3.1
110.07119	3.6
125.06028	2.8
126.28442	2.1
204.06293	7.1
297.84195	2.2
299.91028	2.0
347.09363	16.5
366.11508	2.2
528.16785	100.0
529.18011	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	528.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	4.0
55.01808	4.0
55.75899	0.5
56.04969	1.3
56.96508	0.9
57.03362	3.4
58.62543	0.6
61.02853	1.1
67.05423	0.6
69.03358	6.1
69.12296	0.5
69.49683	0.6
70.06512	13.9
71.04897	3.7
72.08064	2.9
73.02829	3.8
74.05998	0.8
75.79594	0.5
81.03339	21.9
83.06042	0.7
84.04420	4.1
84.08067	4.8
85.02835	6.7
86.05988	0.8
86.09622	3.2
87.04375	0.7
88.03941	0.7
91.05382	0.7
93.06988	1.0
95.08544	0.7
97.02825	43.0
99.04389	19.5
102.05479	0.7
103.03903	0.8
105.03354	1.1
106.02865	0.9
107.08543	1.1
109.02832	100.0
110.07120	4.8
112.08698	0.9
115.08649	0.6
116.50200	0.6
119.04893	1.2
120.08094	0.6
124.03931	2.8
127.03883	21.6
129.10188	1.4
137.05994	0.7
145.02946	0.6
145.04955	9.5
147.04427	0.8
169.04915	1.0
169.07602	0.8
192.26923	0.6
205.07068	24.2
207.06479	1.1
218.82048	0.6
237.02635	0.9
268.08258	0.6
289.09052	0.7
321.07596	1.3
528.23419	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	528.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21446	0.8
51.59734	0.6
53.00246	0.9
55.05186	0.9
55.05451	25.0
56.41782	0.7
57.03371	8.6
57.07011	12.8
57.32698	0.7
60.08068	0.9
60.87795	0.7
62.52987	0.7
67.05111	1.4
67.05425	19.6
69.06989	34.2
69.07555	1.1
71.04893	1.0
71.08545	5.4
72.08070	1.6
75.04385	1.0
75.94867	0.8
79.05392	8.4
81.06973	21.2
83.08534	21.0
86.09634	3.7
91.05401	1.0
92.10931	1.8
93.06977	11.6
95.08536	15.5
97.06461	1.5
97.10100	11.6
97.55337	0.9
98.98396	40.9
99.39836	1.2
104.10681	7.5
107.08545	6.5
109.10106	7.8
109.48974	0.9
111.08067	1.2
111.11658	1.9
116.50000	0.8
120.41730	0.8
121.10091	8.8
123.11694	1.6
125.09484	1.0
135.11635	5.0
135.17470	1.0
136.06160	7.5
149.13240	1.9
154.99930	1.3
155.01027	14.0
173.02112	1.7
231.58035	0.8
265.25253	1.2
294.56308	1.0
339.28876	100.0
340.29172	1.7
475.28131	14.9
477.84741	1.0
528.31519	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	528.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62120	2.7
52.40776	2.7
55.01780	3.5
55.05453	46.2
56.23697	2.9
57.03376	7.8
57.07009	14.4
61.08121	2.8
67.05428	72.2
69.06988	94.4
69.66245	3.2
73.06459	3.7
73.08463	3.4
73.97733	3.1
79.05399	39.4
81.06974	77.1
83.04887	7.6
83.08530	16.6
89.05942	15.4
91.05402	7.7
93.06974	62.9
95.08529	56.4
97.06459	15.8
97.10098	19.6
105.06970	4.4
107.08539	7.9
109.10094	19.1
114.38280	3.3
117.05671	3.2
119.08534	3.8
121.10091	33.5
123.11698	4.1
133.10126	4.1
135.11697	4.2
136.02229	4.0
139.11156	18.2
161.13092	3.4
165.04843	3.8
175.14650	3.6
181.58128	3.4
195.39374	4.1
231.15868	34.7
245.22321	3.6
263.23608	4.5
263.79657	3.9
337.27399	27.4
339.65143	4.1
378.82379	3.8
493.32343	5.3
493.38803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	16.8
57.03369	17.2
57.07013	35.4
57.65761	2.6
67.05430	58.6
69.06985	21.4
71.04546	3.5
71.04911	74.1
71.08556	19.8
79.05392	12.7
81.06984	30.2
83.08551	19.1
84.81245	2.8
85.02828	39.1
85.10098	6.8
89.05965	19.3
90.06297	2.7
91.05400	4.3
93.06950	14.5
95.08546	39.5
97.10113	3.3
107.08519	3.8
109.10114	33.3
119.08527	4.2
120.12806	2.5
121.10111	6.2
123.07990	2.7
135.11671	12.1
153.12686	11.8
173.11768	3.6
229.14302	15.1
255.15866	16.8
260.70258	2.8
313.27200	20.5
339.28903	18.8
491.88696	3.1
493.32327	4.4
493.38852	100.0
494.38651	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	530.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01815	3.6
55.05449	8.3
57.03365	7.0
57.06743	1.0
57.07012	19.7
61.02840	1.2
61.87243	0.9
67.05420	4.9
69.03355	6.4
69.06996	9.3
71.04906	4.5
73.02818	4.3
75.60275	0.9
79.05419	10.5
81.03324	1.7
81.06987	11.3
83.04880	4.0
83.08523	1.9
83.83717	0.8
85.02825	5.4
85.06477	14.4
87.04370	0.9
91.05408	36.0
93.06984	7.0
95.04855	1.2
95.08518	4.0
97.06453	0.9
97.10101	1.0
99.04346	1.0
101.94999	0.9
103.03886	1.3
105.06988	9.3
107.08527	4.1
109.06462	5.1
111.04382	1.3
111.08027	10.6
117.05453	0.9
117.07017	1.2
125.09588	1.7
127.07517	15.2
129.09006	1.1
133.10100	100.0
134.10452	4.4
141.43460	0.9
147.08034	4.6
149.09610	28.9
153.09085	8.9
171.10109	12.5
189.11205	16.1
218.61998	1.3
269.35883	1.0
278.44861	1.1
298.04736	0.9
337.20029	5.7
366.23309	0.9
409.21533	1.1
485.28662	5.6
530.33484	1.4
531.38483	9.8
549.75671	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16861	0.3
57.03381	0.4
57.59913	0.4
70.06515	2.2
82.00776	0.4
84.04408	0.6
84.08049	0.5
110.03788	0.4
114.65691	0.4
115.89524	0.4
136.06239	0.5
144.08145	0.6
145.02805	0.9
151.03871	1.7
153.05403	0.7
159.89091	0.5
167.95097	0.4
169.04837	0.4
177.05490	0.7
185.04170	1.0
185.08080	0.5
187.70226	0.5
190.66609	0.4
201.46457	0.4
203.05301	1.9
216.36467	0.4
245.06189	0.6
305.08456	0.6
331.10245	0.5
347.09375	3.6
469.46796	0.4
501.12070	2.2
531.16760	100.0
532.16895	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	531.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	0.6
56.04974	0.7
57.07006	0.7
64.90367	0.6
69.03358	0.7
70.06509	10.4
71.04878	0.9
72.08076	2.6
74.06007	0.6
84.04417	4.7
84.08064	4.6
85.02841	3.2
86.09618	1.5
91.05351	0.7
95.01006	0.9
97.02802	0.8
98.46544	0.6
100.11144	0.9
110.07137	3.1
113.02077	0.7
120.08063	0.9
124.03876	0.7
129.10231	0.9
134.99556	1.1
136.07564	1.0
141.05087	0.7
142.25293	0.6
145.02821	1.5
152.07072	0.9
153.05418	0.6
162.26566	0.7
169.04744	0.8
171.06488	0.8
177.05487	1.5
185.04260	3.2
186.90994	0.7
191.03093	7.4
200.95486	0.8
201.03761	1.2
203.05301	1.4
206.05484	17.1
207.06389	2.8
219.34937	0.8
245.06371	3.5
259.07977	1.5
275.07214	0.9
287.07217	0.8
331.10019	1.6
332.87549	0.8
347.09509	6.7
485.12604	3.0
500.14996	3.5
501.15799	3.2
531.16626	100.0
532.16876	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	531.2693
Annotation	Herbimycin B
Peak:m/z	Relative Intensity
50.36390	0.9
55.05454	16.7
56.96503	1.2
57.03367	5.4
57.07023	1.3
61.02847	1.5
63.57123	1.0
65.85771	0.9
67.05432	39.4
69.06993	16.4
70.07277	1.0
70.78076	1.0
79.05405	16.6
81.01153	1.1
81.06979	38.7
83.08548	6.4
85.02850	1.1
86.09641	1.1
88.22102	0.9
91.05418	9.4
93.06982	19.3
95.04899	1.3
95.08543	24.2
97.10079	1.6
104.10683	4.6
105.06985	6.3
107.08553	11.4
109.10114	13.4
115.03683	1.6
117.06962	2.0
119.08539	5.6
121.10114	10.8
123.11686	5.0
131.08521	2.1
133.10088	5.6
135.11694	6.0
145.10135	1.2
147.11693	4.1
149.01218	2.3
149.13237	1.9
156.03703	1.1
161.13272	1.4
174.98526	2.6
176.99222	19.9
195.00269	38.8
201.00139	1.1
201.39001	1.1
213.00064	5.5
231.01326	1.2
243.21030	2.3
254.38438	1.0
261.22180	6.5
269.03979	1.5
275.49490	1.1
299.40695	1.2
320.03171	1.1
335.25662	4.0
337.27429	9.4
339.29312	1.3
349.45731	1.3
353.26871	4.4
377.26465	1.9
439.22348	5.6
457.23087	1.6
513.26019	4.9
520.39880	1.3
531.26825	100.0
532.27179	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	531.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57242	0.9
50.57484	1.0
55.05451	12.9
57.03364	6.4
57.07017	1.1
59.20055	0.9
67.05428	28.7
69.06987	16.0
74.73127	1.1
79.05408	7.9
81.06973	29.6
83.08526	5.1
86.09617	2.5
91.05407	4.3
93.06994	9.9
95.08529	20.3
97.10121	1.8
98.08171	1.1
104.10673	10.2
105.06976	2.6
107.08545	5.4
109.10107	7.2
111.08042	1.4
115.03665	1.9
119.08540	4.5
121.10128	2.4
124.02828	1.1
124.99967	1.5
127.77241	1.0
135.11639	1.5
138.17316	1.1
139.41685	1.1
149.13252	1.2
174.98521	5.5
176.99194	20.7
184.07231	1.9
195.00270	46.4
213.00084	6.2
261.44714	1.2
269.03909	1.5
271.54147	1.1
278.54245	1.3
308.87750	1.2
312.02881	1.0
337.27286	11.9
351.91794	1.3
377.26654	2.4
394.22372	1.2
405.59955	1.2
439.22391	6.4
457.22501	1.6
459.20978	1.4
473.20636	2.3
513.25702	2.2
531.26819	100.0
532.27435	8.7
537.14807	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	1.3
67.05437	0.4
69.03352	2.5
70.06509	1.0
72.08072	0.3
79.05376	1.9
81.03326	1.4
81.07007	0.3
83.04916	1.8
85.02837	1.5
91.04893	0.5
91.05410	8.7
93.06977	1.0
95.04923	0.6
99.04401	0.3
100.07584	0.3
103.05402	1.3
104.06193	0.5
105.06945	2.2
107.08521	3.8
111.04389	1.3
116.07106	0.4
116.98471	0.3
117.06985	2.6
118.08618	0.4
119.08534	100.0
120.08858	2.1
123.07991	0.9
133.06459	8.5
133.07445	0.5
135.08014	1.0
145.10071	0.4
152.96909	0.4
157.10153	0.3
161.01175	0.4
171.11699	0.3
181.01550	0.5
195.03258	0.4
199.02565	0.6
209.00954	0.4
227.02176	1.5
257.88101	0.3
263.12732	0.6
276.21310	0.3
471.12952	0.3
531.28125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13732	0.2
54.81954	0.2
55.05441	1.2
65.03852	0.3
68.75674	0.2
69.03352	2.2
79.05415	1.7
81.03329	0.9
83.04896	2.8
85.02823	1.3
86.79421	0.2
91.05408	8.5
93.06984	0.4
95.04865	0.8
95.60315	0.2
101.78463	0.2
103.05395	1.2
104.06168	1.3
105.06975	1.7
107.08530	3.0
111.04388	1.1
117.06975	2.7
118.64749	0.2
119.08536	100.0
120.08850	2.4
123.07992	0.7
129.05402	0.3
133.06464	8.9
133.07503	0.7
133.10204	0.3
135.08054	1.2
157.10100	0.3
180.69116	0.2
199.11391	0.2
200.14935	0.2
206.92601	0.2
220.12453	0.3
227.49098	0.2
230.95024	0.2
263.12753	1.3
302.41437	0.2
367.51285	0.2
499.38217	0.2
531.26965	0.4
531.38696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3658
Annotation	Cordianol F
Peak:m/z	Relative Intensity
51.34620	0.9
52.97999	1.1
57.06992	2.1
58.06544	1.6
67.05420	2.3
80.71796	1.1
81.06967	2.1
83.09526	1.2
93.06976	3.0
95.08527	5.2
96.15573	1.2
109.10091	1.9
182.74446	1.1
195.10002	1.4
236.14832	1.5
244.32336	1.5
531.36572	100.0
532.37000	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	532.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	3.2
57.07011	8.3
60.08102	3.4
69.06964	2.3
71.07278	5.1
71.08545	5.4
81.06982	5.5
83.37920	2.1
83.55193	1.7
86.09637	28.1
92.63594	2.4
95.08531	3.2
95.10841	2.0
96.60021	2.2
97.06553	2.0
104.10690	100.0
109.10075	3.2
112.59393	2.0
125.93123	2.8
145.10167	2.4
146.98154	20.6
172.95180	4.5
190.96228	9.7
228.97917	3.4
280.25882	2.5
327.29001	10.4
341.28699	2.5
457.59314	2.4
473.26376	42.1
532.33771	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	1.2
54.81627	1.2
55.01823	1.1
55.05457	17.4
57.03384	8.6
57.07011	4.6
59.59667	1.0
61.02856	10.5
64.33016	1.1
65.03857	1.7
67.05431	87.9
69.03341	1.3
69.06991	12.0
73.02819	1.7
79.05410	51.7
81.06982	100.0
83.08543	7.7
85.02840	8.3
85.06450	1.8
91.03881	1.6
91.05407	26.6
92.10307	1.6
93.06979	63.5
95.04893	4.9
95.08537	76.2
95.09160	2.4
96.08865	1.3
97.02808	2.7
97.06484	2.8
97.10135	1.9
97.15438	1.2
105.06983	17.8
107.08538	33.7
109.06509	1.8
109.10116	30.5
117.06985	10.2
119.08535	14.0
121.10108	33.0
123.11660	10.2
131.08549	21.9
133.10115	13.7
135.11644	24.5
137.09589	1.4
137.13240	3.0
139.80972	1.2
145.10158	13.3
147.11635	8.7
149.13245	15.5
159.11646	13.0
161.13231	6.4
163.14836	11.7
165.12677	1.4
173.13260	11.2
177.16422	2.7
187.14772	7.3
201.16411	2.0
243.21083	16.1
261.22101	46.5
295.39020	1.3
332.87753	1.3
335.25854	16.0
336.21936	1.4
353.26846	21.4
528.55151	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	533.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29824	1.1
53.03893	2.1
55.01805	5.7
57.07007	1.4
58.60162	1.1
59.96106	1.3
67.05424	1.7
69.03345	6.9
69.06980	1.9
70.02840	1.3
70.06499	9.1
70.61447	1.3
72.04429	6.3
73.02834	2.8
79.05402	7.7
81.03333	9.7
84.04426	5.3
84.08103	1.6
85.02831	7.2
85.06470	3.1
86.09618	2.4
90.05488	8.6
92.04954	9.5
95.04884	6.7
96.08052	11.3
97.02840	6.2
98.02381	4.0
98.78233	1.3
98.97507	1.6
106.06498	48.2
108.08048	17.4
109.02828	9.5
110.07140	2.4
112.07568	1.5
113.05985	1.7
116.03403	3.0
123.06760	10.0
124.07549	46.3
127.03876	7.1
129.10185	2.3
129.61618	1.4
130.09787	2.0
132.06512	1.6
134.05984	52.9
136.07541	12.3
142.08649	8.5
145.04921	2.6
151.03917	8.0
152.07043	100.0
160.09680	1.6
163.08696	6.9
167.26384	1.4
170.08080	33.6
176.49681	1.3
184.09669	7.3
202.10768	8.6
229.44905	1.3
234.06241	1.7
262.12982	1.2
328.13956	2.3
329.73544	1.7
364.15964	1.8
385.15955	2.0
403.16968	27.7
434.83777	1.6
515.22162	11.9
533.23383	63.9
534.23694	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	533.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22783	1.4
54.24682	1.6
55.05453	18.8
57.03359	4.5
57.06996	4.2
59.60398	1.7
65.09691	1.6
67.05418	13.3
69.06987	17.3
79.05399	4.0
81.06980	18.3
83.08543	14.4
84.59077	2.0
87.15186	1.8
91.05440	2.9
93.06982	4.7
95.08541	16.4
97.10104	4.4
104.10671	8.4
107.08537	4.0
109.10075	3.0
119.08537	2.5
121.10139	4.6
135.11609	2.3
160.01805	1.9
174.98544	3.4
176.99234	21.3
195.00273	31.6
253.39861	1.8
258.75851	2.0
309.05063	2.1
339.28900	12.4
365.73804	2.5
441.23706	4.2
515.27087	3.0
533.28369	100.0
534.28925	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78230	0.7
55.05444	4.8
56.04952	1.4
57.07011	1.4
60.08094	7.8
61.02853	1.2
62.10159	0.6
63.24388	0.7
66.94788	0.8
67.05424	17.7
69.06998	6.6
69.27202	0.7
71.07285	6.9
72.35232	0.7
75.32472	0.7
79.05408	5.0
81.06976	20.0
83.08532	2.0
85.02816	1.2
86.09624	36.3
91.05411	3.2
93.06981	6.0
94.96516	0.7
95.08528	15.5
97.02820	0.8
97.10112	1.1
104.10677	100.0
105.06982	0.9
107.08506	1.9
109.10110	6.8
119.08540	1.1
121.10103	4.3
123.11644	1.6
124.99937	0.8
132.10475	0.9
133.10060	1.8
135.11688	0.8
137.13191	1.1
147.11594	1.5
161.13240	3.2
164.31776	0.8
166.41957	0.8
176.28232	0.9
181.94781	0.7
184.07306	3.6
190.46614	0.8
245.22572	3.9
259.11063	1.0
263.23682	7.6
288.41461	0.8
314.53824	0.9
337.27109	4.7
355.28412	1.0
475.22052	22.5
534.29382	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	534.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08099	23.1
67.05408	2.7
68.68810	1.2
69.06981	2.5
71.07280	8.1
73.58959	1.3
81.03347	2.4
81.06967	3.1
86.09628	80.1
92.56368	1.3
93.06945	2.0
94.16185	1.4
95.04887	2.5
95.08529	2.0
98.98383	6.2
104.10683	93.2
105.06979	1.7
107.08618	1.4
124.99966	41.1
184.07309	100.0
279.04654	1.9
370.91611	1.5
392.87619	1.5
482.31143	1.7
516.30676	2.7
534.31885	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	534.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65072	0.4
54.98401	0.3
55.01809	0.7
55.05442	2.6
56.04976	0.6
57.03367	1.8
57.06998	2.1
58.06523	0.7
60.08094	8.7
63.67503	0.3
63.72181	0.4
67.05408	1.6
69.06991	4.0
71.07284	6.5
71.08519	0.5
79.05387	1.6
81.06964	2.0
83.08543	2.4
85.10143	0.4
86.09625	33.6
93.06960	2.0
95.08553	1.6
97.06456	0.7
97.10094	1.7
98.98405	0.8
104.10678	100.0
105.11024	0.7
107.08537	0.8
121.10094	1.7
124.99986	6.9
129.05490	0.6
146.98160	15.9
164.99258	0.6
169.55794	0.4
176.99208	2.1
184.07295	17.5
251.77754	0.4
311.25906	0.6
317.94534	0.5
329.26917	0.9
334.90970	0.5
351.24960	2.7
418.77982	0.4
431.21445	1.7
475.24219	38.3
476.24460	2.6
516.30566	0.6
534.31531	21.0
535.31091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08099	23.1
67.05408	2.7
68.68810	1.2
69.06981	2.5
71.07280	8.1
73.58959	1.3
81.03347	2.4
81.06967	3.1
86.09628	80.1
92.56368	1.3
93.06945	2.0
94.16185	1.4
95.04887	2.5
95.08529	2.0
98.98383	6.2
104.10683	93.2
105.06979	1.7
107.08618	1.4
124.99966	41.1
184.07309	100.0
279.04654	1.9
370.91611	1.5
392.87619	1.5
482.31143	1.7
516.30676	2.7
534.31885	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	535.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60712	0.8
55.01814	24.4
61.02858	7.3
65.03857	1.5
69.03333	1.6
70.06517	11.0
72.08066	1.9
73.02842	0.9
79.53948	1.0
80.38035	1.0
81.03330	1.7
81.71252	1.0
83.06008	1.5
84.04426	4.3
84.08051	2.6
85.02834	1.5
86.09621	2.2
91.05398	5.8
93.03312	2.1
97.02814	2.0
97.34017	1.0
107.04903	6.4
109.02785	1.6
110.07104	12.4
111.04359	1.3
119.04886	18.9
120.08032	1.3
121.02815	87.0
122.03139	1.2
127.03864	1.0
131.04868	2.0
135.04417	1.7
136.07506	3.8
139.03909	1.1
144.05757	1.0
145.02824	12.4
147.04387	4.5
149.02335	1.1
159.04431	4.3
163.03894	4.3
165.01736	1.0
167.03326	1.3
168.04117	1.1
174.38951	1.0
175.03935	1.6
177.01797	3.7
177.05504	1.3
179.03447	2.6
181.04869	1.3
187.03856	6.3
189.01768	12.4
189.05458	5.2
190.02612	1.6
191.03331	10.8
193.05095	1.0
194.02216	1.2
195.02835	16.6
197.05974	1.2
199.03925	1.4
201.05473	3.8
202.02608	1.4
203.03343	31.0
204.04097	1.6
205.04953	5.9
207.02853	17.6
207.06479	1.1
208.03558	1.3
209.04463	2.2
213.05412	4.7
215.03371	18.7
217.04886	12.5
219.02884	8.4
219.06273	1.5
221.04369	12.7
223.05899	1.2
225.03722	1.6
225.05617	1.6
227.03354	6.2
229.04953	6.4
231.02838	4.8
231.06442	1.4
233.04382	12.1
241.04967	2.5
243.02815	6.9
245.04456	7.9
249.03915	2.1
253.04779	1.8
255.02901	2.2
255.06448	1.7
257.04407	5.0
259.06088	1.3
261.03860	2.6
266.05710	1.7
267.06491	4.9
268.07346	7.1
269.04324	2.6
271.05954	1.8
273.03937	5.3
277.08682	1.7
279.06406	5.6
281.04605	1.6
281.08093	7.0
283.06015	7.0
284.06750	2.6
291.06464	4.4
292.07181	5.7
293.08051	8.4
294.05185	29.7
294.08530	2.2
295.05954	100.0
296.06686	12.6
297.07474	12.3
298.08276	1.4
304.07224	1.2
305.08020	5.3
306.08829	3.8
307.05966	82.0
307.09360	4.6
308.06622	25.6
309.03986	2.2
309.07486	30.6
313.06998	4.1
317.08151	7.5
319.06027	10.3
319.09378	1.6
320.06708	18.8
321.07507	74.4
322.08194	9.8
323.05597	3.5
323.09027	13.7
323.80035	1.2
325.07010	64.8
326.07333	1.4
329.08118	9.0
331.05951	1.9
333.07483	47.4
334.08304	9.5
335.05524	2.2
335.09073	27.0
336.06161	7.1
337.06982	69.7
338.07370	4.9
339.08514	8.4
343.09479	1.7
345.07455	25.4
346.08423	1.8
347.08990	11.3
348.06201	3.9
349.06982	62.2
349.10580	3.0
350.07556	1.6
351.08536	29.7
355.08173	4.9
359.09061	7.0
361.06937	40.5
361.10776	3.9
362.07721	4.3
363.08548	31.3
367.08078	15.9
371.09146	2.3
373.06979	23.3
375.08633	20.0
377.10040	4.3
379.08047	82.2
380.08664	1.5
387.08557	15.4
389.10034	5.1
391.08041	61.3
392.08322	2.4
393.09518	8.4
397.09134	30.6
399.08292	8.4
403.07986	15.1
405.09369	9.6
407.11441	1.4
409.09106	41.4
415.08023	17.6
417.09442	11.9
421.08936	6.5
427.10156	30.0
433.09097	25.9
445.09409	22.8
446.09412	1.2
451.10141	20.6
463.10089	16.1
469.11169	32.2
481.11237	86.7
482.11844	1.7
499.12241	70.9
500.12338	1.9
517.13306	27.1
535.13977	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	535.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01582	1.5
55.01813	22.1
57.03358	1.2
61.02839	6.7
62.75689	0.9
63.46320	1.1
65.03851	1.6
68.65220	1.0
69.03348	1.7
70.06502	5.8
72.08056	1.4
81.03331	1.9
84.08070	2.5
85.02805	1.5
91.05391	4.7
91.76565	0.9
93.03304	1.7
93.13359	1.2
95.04865	1.4
96.91962	0.9
97.02816	4.3
103.05370	1.4
105.03283	1.0
107.04886	6.9
109.02785	3.7
109.06444	1.0
110.07131	1.3
111.04388	1.9
112.88772	1.1
115.10796	1.0
117.03365	1.6
119.04886	21.3
121.02815	93.3
129.10213	1.6
131.04901	2.2
133.06496	1.4
135.04344	4.1
137.31961	1.0
139.03870	1.3
143.04906	1.2
145.02824	15.0
147.04372	4.1
157.06500	1.5
159.04361	4.9
161.02309	1.4
163.03860	4.0
167.03415	1.0
171.04378	2.1
175.03859	6.8
177.01878	2.2
177.05197	1.5
178.99770	0.9
179.03383	4.0
181.06395	1.0
183.02864	1.2
185.05937	1.5
187.03850	5.5
189.01810	11.0
189.05484	4.1
191.03387	10.2
193.04930	1.4
195.02875	19.2
197.04405	2.0
197.06003	1.3
199.03868	4.7
201.05348	2.1
202.02539	1.3
203.03368	37.1
205.04890	9.7
207.02852	20.0
209.04330	4.8
213.01787	1.3
213.05417	1.5
215.03366	19.5
217.04910	13.6
219.02834	9.1
219.06197	1.3
221.04385	16.6
225.05540	1.4
227.03351	4.4
229.04912	5.5
231.02808	4.4
231.06438	1.4
233.04384	15.7
235.06001	2.1
237.05571	1.2
239.03259	1.2
241.04942	5.8
243.02809	9.1
245.04311	8.7
247.05820	1.5
253.05014	1.7
255.02719	1.7
257.04425	4.0
259.05911	1.8
261.03833	6.4
266.05734	1.6
267.06302	4.8
268.07303	3.5
269.04361	4.7
271.05923	2.3
273.03897	4.4
277.08521	1.8
279.06351	8.9
280.07224	2.5
281.07968	5.7
282.05142	1.1
283.05847	8.9
284.06705	2.5
289.08420	1.2
291.06528	1.9
292.07150	7.1
293.07925	7.5
294.05219	27.0
294.08447	2.2
295.05951	100.0
296.06583	11.1
297.07413	11.3
304.07065	1.4
305.07986	7.0
306.08633	5.8
307.05960	81.8
307.09372	6.2
308.06702	26.7
309.04407	2.3
309.07520	37.3
310.07886	1.4
313.07117	5.8
317.08060	10.9
318.08636	1.1
319.05975	10.6
320.06738	20.7
321.07501	94.2
322.04733	1.8
322.08093	12.4
323.05475	1.8
323.08939	11.2
325.07004	67.3
329.08148	7.4
331.05978	1.5
331.09436	1.5
332.06592	1.2
333.03467	2.0
333.07501	54.7
334.08197	11.7
335.05527	3.3
335.09064	32.8
336.06119	6.7
337.06995	53.8
339.08591	7.6
344.06683	1.2
345.07513	31.3
346.07944	4.1
347.05356	1.8
347.09103	14.5
348.05981	1.2
349.06979	74.5
349.10513	2.9
350.07489	6.0
351.08582	32.8
355.08099	4.8
357.07275	1.3
359.09048	7.6
361.06940	42.3
361.10941	2.5
362.07388	5.2
363.08493	37.7
367.07999	15.8
371.09067	4.0
373.07004	28.5
375.08582	23.6
377.05927	1.7
377.09933	3.9
379.08044	84.1
380.08234	2.3
383.08896	1.4
387.08551	17.3
389.09991	6.0
391.08005	65.4
392.08139	2.1
393.09653	7.5
397.09103	31.4
399.08466	8.7
403.07980	21.7
405.09677	11.5
409.09073	46.3
415.07797	17.1
417.09750	11.2
421.09018	8.5
427.10159	28.7
433.09094	35.7
435.10223	1.8
439.10269	1.2
445.09177	24.3
451.10098	27.5
463.10159	19.5
469.04684	2.1
469.11227	54.7
470.11392	1.3
481.11212	78.6
482.11514	1.8
499.12271	79.6
500.12381	1.5
517.06000	1.8
517.13306	31.8
535.14429	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	535.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	21.3
55.05433	5.2
56.78590	2.3
61.02842	9.1
67.05415	2.4
69.03366	7.8
69.06956	2.8
70.06522	29.6
72.08046	4.4
73.02831	2.3
73.88080	2.2
76.38134	2.2
79.05411	4.5
81.03346	4.9
81.06971	4.7
82.08247	2.7
83.08523	2.1
84.04426	4.3
84.08053	11.3
85.02808	11.3
86.09616	9.7
91.05383	13.5
93.06975	4.4
95.04865	9.3
95.08506	3.7
97.02839	2.5
105.06991	3.1
106.02840	5.7
107.04895	4.9
107.08513	4.4
109.02841	4.9
109.06498	2.7
110.05984	11.3
110.07107	4.4
111.04395	3.2
117.06968	2.5
119.04914	26.9
119.08521	4.0
121.02007	3.7
121.02825	85.8
121.10085	3.8
124.03920	16.4
133.10103	2.8
135.08069	3.0
139.73685	2.5
139.74852	2.3
145.02821	14.7
146.18355	2.7
147.04396	10.1
159.04329	2.5
163.03879	4.1
175.03856	13.0
177.05441	4.5
189.01781	3.9
191.03365	10.7
195.02904	16.1
203.03352	33.0
205.04945	4.5
207.02893	18.4
207.06473	12.0
215.03383	11.1
217.04892	9.3
219.02881	5.5
221.04369	14.8
227.03355	3.5
229.04871	3.5
231.02927	3.4
233.04385	14.4
243.02844	3.3
245.04440	5.0
258.30365	2.3
268.07431	10.3
269.04282	2.7
273.03873	4.4
276.07834	2.3
279.06482	11.2
281.07910	3.5
283.05908	10.8
284.07028	2.6
291.06512	5.0
292.07254	5.0
293.08057	10.3
294.05249	26.3
295.05969	100.0
296.06650	11.1
297.07483	16.7
305.07898	4.1
306.08560	4.2
307.05975	68.0
308.06711	30.8
309.07501	28.9
317.08084	5.4
319.05972	5.6
320.06702	14.3
321.07513	87.1
322.08212	13.9
323.05627	2.9
323.09052	16.3
325.06979	71.8
329.07935	9.4
333.07538	45.7
334.08261	14.1
335.05249	7.7
335.09042	32.4
336.06085	8.5
337.07001	70.5
339.08508	5.7
345.07443	26.0
347.09048	9.6
349.07022	66.2
351.08600	32.8
361.06915	36.3
362.07471	3.3
363.08603	33.8
363.22211	2.7
367.08035	17.7
371.09076	3.0
373.07001	23.1
375.08594	18.9
379.08032	78.7
387.08279	12.5
389.10263	3.6
391.07968	70.5
393.09586	5.5
397.09167	31.8
399.08481	4.8
403.08142	12.7
405.09433	10.7
409.09058	58.4
415.08179	13.2
417.09509	4.9
421.09149	8.7
427.10211	40.0
433.09006	23.8
445.09766	16.1
451.10175	26.7
463.09891	15.2
469.11188	52.6
475.31027	4.0
481.11243	81.3
499.12177	78.5
517.13177	29.2
535.13995	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	536.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39606	0.3
53.03876	0.5
55.01810	0.5
56.50852	0.3
57.03362	0.6
57.39647	0.3
60.04445	0.4
61.02855	2.8
65.03840	0.8
67.04137	0.4
67.05435	1.4
69.03337	4.4
69.99715	0.4
70.06509	5.5
71.04879	0.4
72.08044	0.6
73.02812	0.7
74.05965	0.4
76.09020	0.3
81.03345	2.8
82.06490	0.8
84.04414	1.8
84.08058	2.3
85.02824	20.1
86.03133	0.3
86.09624	1.9
91.03870	0.7
91.05384	0.4
95.03634	5.3
95.04887	24.8
97.02815	5.6
99.04355	0.8
106.02856	1.5
107.03645	2.5
109.02821	1.4
110.05984	45.9
110.07163	1.8
111.06274	0.7
117.03271	0.4
120.04401	1.4
122.05975	12.7
122.06976	0.5
122.07165	0.4
123.04374	10.0
127.03892	2.7
129.10144	0.5
134.02348	1.9
136.07509	0.5
138.05473	13.0
138.06526	0.5
141.05423	2.4
145.02814	0.8
145.04904	4.3
148.57362	0.4
149.04707	7.9
150.01859	1.4
150.05444	2.2
151.02614	7.4
151.03787	0.6
155.92802	0.3
158.84322	0.4
163.05936	0.6
165.04196	1.6
166.04948	100.0
167.05319	3.0
177.04056	0.4
177.05414	1.8
178.04976	4.7
182.99121	0.4
184.05954	1.6
194.04442	94.8
195.04915	2.2
196.05983	0.7
212.05476	23.1
213.05846	0.4
324.93008	0.4
410.72702	0.4
416.05270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81381	3.1
65.87735	2.3
73.04675	11.1
85.46358	2.2
89.81742	2.1
91.05721	93.6
93.98891	2.3
149.04509	4.6
167.05537	68.8
194.72475	3.1
225.04257	10.6
227.02238	3.0
239.09518	11.9
266.99835	21.4
283.02930	23.5
299.06119	100.0
299.09393	5.5
300.06104	3.2
344.97644	27.3
359.02777	3.1
415.03482	15.3
443.76523	2.5
454.72098	2.7
490.80267	3.2
503.10590	5.0
537.72003	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	536.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01816	0.6
57.03371	1.2
61.80278	0.2
62.64838	0.2
66.20617	0.1
69.03349	0.4
73.02805	0.7
76.42110	0.1
79.05012	0.2
79.10732	0.2
80.07773	0.2
81.03317	0.3
85.02829	1.0
94.20789	0.2
97.02831	0.3
112.07549	0.2
115.03866	0.1
120.22372	0.2
133.04933	0.3
136.06160	100.0
137.04575	0.3
137.06580	1.2
152.05659	0.2
153.04051	1.4
236.04416	0.2
237.02838	0.2
252.67212	0.2
268.10349	17.5
333.08398	0.3
360.46606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81538	1.1
56.94713	1.0
56.96519	1.3
61.02839	1.6
61.86464	0.9
64.92393	0.9
69.03347	5.4
70.06507	10.1
71.04903	1.2
73.02827	1.4
83.04906	1.8
84.04414	1.7
84.08064	2.4
85.02827	14.3
86.06007	1.1
86.09624	1.8
88.44089	1.0
89.03838	1.8
91.05380	1.5
97.02817	5.8
98.97543	1.1
102.05497	1.4
109.02802	1.5
110.07125	4.3
116.98531	1.6
117.03308	14.4
124.03907	1.4
127.03847	1.9
129.10175	1.4
130.09697	1.3
135.04402	1.1
145.02821	53.8
145.04865	2.1
147.04387	1.5
149.05960	5.4
177.05435	100.0
181.04944	1.5
195.06602	2.5
237.02884	1.2
339.10721	7.4
481.20477	1.1
485.58731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67582	0.2
54.81656	0.3
56.04972	0.4
58.06500	0.3
60.08096	10.4
66.88173	0.3
67.05427	0.7
70.10461	0.3
71.06934	0.4
71.07294	5.3
81.06978	1.7
86.09631	53.2
89.13750	0.3
91.05372	0.4
92.10867	0.4
93.06979	0.5
95.08530	0.5
98.98402	4.3
104.10683	7.9
115.54365	0.3
124.99967	35.4
143.01044	0.5
184.07312	100.0
185.07730	0.4
219.96307	0.4
316.52045	0.3
500.31479	0.5
518.32312	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	536.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97152	0.2
54.81834	0.3
55.05447	1.5
56.04974	1.2
57.03370	0.5
58.06531	1.1
58.33675	0.2
59.07298	0.3
60.08094	26.6
65.03847	0.2
67.05427	4.8
69.06995	0.4
70.06496	0.3
71.07288	10.4
71.08557	0.3
71.49286	0.2
73.87437	0.2
77.46002	0.2
77.95198	0.2
79.05421	2.6
81.06976	3.7
83.08536	0.3
86.09625	78.7
87.09963	1.0
91.05386	1.6
93.06972	3.0
95.04907	0.3
95.08508	2.3
97.06443	0.3
98.98399	5.7
101.52737	0.2
104.10677	100.0
105.06970	0.4
105.11018	1.0
107.08514	1.0
109.10091	0.5
116.99388	0.2
117.06992	0.3
119.08526	0.5
121.10105	0.4
124.99962	46.6
131.08543	0.3
133.10124	0.4
135.11694	0.5
143.01003	1.5
159.11856	0.2
163.01451	0.3
184.07303	98.2
185.07587	1.2
258.10858	0.4
378.81772	0.2
500.31265	4.6
518.32324	33.7
519.32642	2.7
536.32629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79229	0.3
55.05448	1.4
56.04980	1.6
57.03360	0.3
57.07003	0.5
58.06539	1.3
59.07325	0.3
60.08095	24.1
61.59673	0.3
63.44144	0.3
63.56582	0.2
67.05422	4.6
67.43074	0.3
69.06976	0.3
71.07288	10.3
71.07653	0.6
79.05423	2.6
81.06969	4.2
86.09624	76.3
87.09966	1.5
91.05402	1.5
93.06972	2.8
95.04948	0.3
95.08543	1.8
98.98396	5.6
104.10678	100.0
105.07001	0.7
105.11011	1.8
107.08518	1.3
109.10081	0.4
117.07021	0.5
119.08556	0.5
124.99957	44.6
131.08516	0.4
143.01018	1.4
145.10112	0.3
163.01524	0.6
184.07303	97.5
185.07596	0.7
187.22942	0.4
230.24802	0.4
258.10931	0.6
327.63861	0.4
331.01852	0.3
427.50500	0.3
500.31461	3.4
518.32330	35.4
519.32220	2.1
536.32648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	1.1
56.04965	1.5
57.03363	1.3
57.89489	0.7
58.06504	1.2
60.07831	1.0
60.08103	22.0
64.95673	0.7
67.05414	3.6
69.06963	0.9
71.07291	9.7
79.05420	0.9
81.06963	1.5
86.09631	67.6
90.88141	0.9
95.08543	1.0
98.98373	5.4
104.07053	1.0
104.10683	100.0
107.08517	1.1
122.08099	3.1
124.99973	35.9
139.80357	0.8
143.01027	1.7
172.95239	1.3
177.33183	0.8
184.07307	70.0
190.01701	1.2
190.96283	4.4
202.01633	1.1
228.97807	1.2
253.06987	0.8
368.67130	0.9
400.63168	0.9
411.51376	0.9
495.20139	1.6
518.32233	4.1
534.73981	1.0
536.33386	32.1
559.81177	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02673	0.7
56.04973	1.1
58.06524	1.7
58.75595	0.8
60.07819	1.4
60.08097	22.9
67.05416	3.8
71.07298	10.5
74.93592	0.8
79.07195	0.9
81.06975	3.8
84.04413	1.1
86.09632	80.0
91.62742	0.8
93.07005	1.3
95.08533	1.7
98.98414	6.7
104.10682	76.5
105.07014	1.1
109.10141	0.8
121.10056	1.0
124.99963	43.8
141.71033	0.8
143.01073	2.0
165.75684	0.9
184.07307	100.0
211.43410	0.9
240.47194	0.9
303.16846	0.8
314.04456	1.0
315.25180	0.9
407.36414	1.0
500.31323	3.8
518.32269	28.1
536.33081	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09659	0.4
54.81498	0.5
55.05441	0.9
56.04961	0.6
56.30516	0.4
58.06532	1.0
59.01828	0.4
60.08096	28.0
66.96523	0.4
67.05421	3.5
69.06964	0.4
71.07296	9.7
79.05422	0.7
80.32457	0.5
81.06970	3.2
86.09628	77.6
91.05405	0.6
92.10847	0.9
93.06978	1.0
95.08543	2.8
98.98408	5.2
104.10682	97.3
105.11009	0.7
109.10126	0.5
124.09721	0.5
124.99961	43.7
163.01529	0.7
167.25082	0.6
184.07306	100.0
185.07707	0.6
219.64177	0.5
518.32446	6.4
536.33344	26.9
537.33691	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	536.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35884	1.0
54.15424	1.1
54.80785	1.2
60.08097	13.9
60.32572	1.3
65.47537	1.4
69.07020	1.4
71.07291	3.2
81.06973	2.2
86.09626	61.3
98.98399	5.8
104.10663	10.8
107.08606	1.6
124.99965	38.3
135.75421	1.5
163.16017	1.6
184.07309	100.0
324.92279	1.6
330.86572	1.7
356.16046	1.7
406.24979	1.6
518.32141	1.8
527.27765	1.6
536.33148	6.7
543.43884	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52875	0.6
55.05447	2.7
56.04968	1.5
57.03372	0.6
58.06530	0.8
60.08098	25.9
67.05430	6.0
69.06973	1.0
70.06516	0.7
71.07295	9.8
79.05427	1.4
80.80584	0.6
81.06988	2.7
86.09629	80.9
87.10009	0.6
88.02200	0.7
93.06950	1.2
95.08542	1.2
98.98388	6.9
104.10683	100.0
105.06970	0.7
107.08586	0.7
124.99965	50.1
148.16235	0.6
170.28339	0.7
184.07309	96.1
217.46706	0.7
246.69409	0.7
402.34250	0.7
518.32581	6.6
536.33380	28.1
537.33441	1.0
548.91132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.37
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	0.6
55.05452	23.2
56.04972	0.8
57.03370	5.1
57.07015	13.0
58.06518	0.8
60.08094	26.9
61.02843	3.5
67.05077	0.8
67.05427	23.0
67.52959	0.5
69.06988	30.6
69.15150	0.5
71.04887	1.0
71.07296	9.7
71.08553	6.1
73.02822	0.9
75.04397	0.8
79.05404	9.3
81.06511	0.9
81.06972	25.1
83.08537	21.1
85.02824	4.7
85.06439	0.9
85.10091	3.1
85.20892	0.5
86.09626	78.5
89.05907	0.5
91.03874	0.8
91.05360	0.6
93.06435	0.8
93.06972	14.7
95.07965	1.2
95.08537	23.4
96.23898	0.6
97.02824	2.4
97.06454	3.8
97.10100	13.3
98.98390	5.3
104.10678	93.9
107.08533	10.7
109.10099	12.5
111.08000	3.7
111.11671	4.9
121.10097	18.1
123.11679	4.8
124.99961	43.6
125.09541	1.2
135.11667	13.5
137.13202	1.0
139.11147	1.3
143.00993	1.0
148.86983	0.6
149.13184	5.2
151.14819	1.3
163.14778	1.1
184.07298	100.0
247.24197	7.9
265.25195	18.0
283.26288	3.6
339.28854	22.0
353.30444	1.1
357.30011	7.6
501.37909	2.3
518.35907	5.1
536.29358	1.2
536.36987	26.5
537.37366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91729	0.4
55.05451	3.5
56.04961	1.0
56.55799	0.4
57.03356	0.6
57.06999	2.6
58.06531	1.7
59.96299	0.4
60.08097	24.3
60.49233	0.4
67.05419	1.0
69.06979	3.9
71.07291	9.7
79.05394	0.6
81.06953	2.2
83.08532	1.9
86.09627	74.4
93.06950	0.7
95.08547	1.7
97.10094	0.7
98.98401	6.0
104.10681	93.6
109.10117	0.7
124.99961	41.2
135.86893	0.4
184.07309	100.0
185.07579	0.5
242.44443	0.6
258.11026	0.9
286.63083	0.5
353.30594	0.9
518.36145	5.9
536.37061	29.2
537.37079	0.6
546.63391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	1.9
53.03893	1.4
55.01802	1.9
55.05447	10.1
57.07011	2.2
65.03873	1.7
67.05421	25.2
69.03339	8.0
69.06986	15.9
71.04906	11.2
79.05412	21.4
81.03318	1.9
81.06975	79.0
83.04892	8.5
83.08524	8.0
85.02815	4.2
85.06470	13.3
86.09637	1.6
91.05399	13.8
93.06962	28.6
95.04892	92.9
95.08530	26.1
97.06470	3.6
99.04375	10.0
100.11173	10.3
103.03867	9.1
105.06977	21.1
107.08529	27.4
109.06462	100.0
109.10098	31.9
111.04416	2.6
111.08026	8.3
111.64392	1.9
119.08530	19.2
121.06474	3.4
121.10078	18.0
123.11652	24.8
125.09614	2.7
127.03873	6.6
129.06819	1.9
131.08533	3.7
133.10120	11.5
135.08012	15.7
135.11653	10.1
137.09656	3.6
137.13242	1.9
139.11134	2.5
139.75140	1.9
141.46579	1.6
145.10094	9.4
147.11636	7.1
149.09578	3.1
149.13266	4.0
151.11157	3.8
157.10095	3.4
159.11647	7.4
185.13145	2.1
203.18100	1.8
211.14735	2.5
215.17867	2.9
247.16882	3.7
265.18015	3.9
285.22122	2.6
299.96591	1.8
303.23087	15.1
321.24326	12.2
447.27240	2.2
454.46011	2.0
501.30603	2.3
537.39624	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	537.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00232	2.2
53.03881	1.5
55.01805	10.5
55.05439	8.4
57.03363	2.6
57.07001	4.2
59.04925	2.0
61.21895	1.5
62.73168	1.9
64.33318	1.7
65.03879	1.7
67.05428	22.2
69.03345	10.8
69.06975	22.1
70.05080	1.4
70.06514	25.1
71.04893	10.7
72.08062	4.0
77.52793	1.6
77.53912	1.7
78.03368	9.1
79.05396	18.3
81.03318	8.1
81.06970	51.8
83.04912	12.4
83.05987	1.8
83.08505	2.6
84.04424	3.5
84.08060	16.4
85.02807	12.7
85.06469	28.4
86.09623	9.7
87.04401	2.2
91.05414	15.0
92.64069	1.6
93.06976	35.2
95.04889	100.0
95.08524	30.3
96.04412	3.4
97.02843	1.6
97.06451	11.9
97.10068	2.7
99.04372	8.1
99.08013	2.9
103.03873	8.7
105.06972	23.7
106.02865	19.3
107.03195	2.0
107.04899	1.9
107.08537	34.9
109.02840	7.4
109.06465	27.1
109.10109	24.3
111.04355	2.1
111.08022	17.0
117.06956	3.5
119.04922	1.8
119.08522	19.6
120.08048	3.9
121.10094	24.4
123.08022	2.6
123.11644	11.8
124.03909	39.6
125.04240	2.3
125.09581	7.9
127.03858	4.3
127.11221	2.2
129.06984	3.1
129.10199	7.3
131.08514	3.6
133.10097	11.7
135.08026	13.1
135.11603	9.5
136.07561	3.4
137.05949	10.3
137.09601	3.2
137.13281	1.8
139.11188	2.0
143.10605	3.0
145.10078	11.6
147.11667	11.3
149.13177	2.5
151.11043	2.0
153.12654	2.0
155.10588	1.8
157.10046	4.1
159.11671	8.3
161.13222	3.0
161.26546	1.9
163.11119	2.2
163.14711	2.5
175.07506	7.6
175.14813	2.6
176.67427	1.8
179.10587	2.4
181.04877	3.3
187.07477	2.6
187.14824	2.6
189.16235	2.2
217.05066	1.7
235.17047	2.0
240.65271	1.9
267.20963	2.6
268.08139	9.3
269.08301	1.8
281.44855	2.3
285.21988	3.2
296.59064	1.8
303.23108	10.9
321.24039	15.7
333.27487	1.8
339.25150	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	537.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79074	1.2
54.81891	1.7
57.07021	1.8
61.58958	1.2
67.05444	1.6
69.57981	1.4
73.82549	1.3
96.37457	1.4
114.35860	1.6
115.56385	1.8
133.08635	1.8
225.10966	3.0
241.05197	1.7
282.27939	7.3
312.37247	1.8
313.27292	1.8
335.67184	1.5
450.55606	2.0
536.36646	2.7
537.37592	100.0
538.37860	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	537.535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06818	0.3
57.07010	4.8
57.92549	0.4
59.07566	0.3
61.07603	0.9
67.05408	0.5
69.99915	0.4
71.08530	2.7
71.96358	0.4
80.68353	0.4
85.10097	0.5
92.11027	0.4
95.08544	1.8
133.17273	0.4
156.37405	0.4
222.80994	0.4
281.26331	0.9
281.29410	17.8
282.27844	100.0
283.28311	3.5
299.30466	12.5
300.31000	0.5
356.98077	0.5
497.10339	0.5
526.45825	0.5
537.47192	0.5
537.53522	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	538.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04970	1.3
57.03376	1.2
60.08101	23.6
65.81306	0.8
67.05405	1.5
71.07298	8.9
73.07332	0.9
81.06969	1.8
86.05991	1.6
86.09631	63.3
95.08529	2.3
98.98420	4.9
104.10683	100.0
105.11093	1.5
105.86681	1.0
112.97099	1.0
124.99970	35.7
184.07309	67.9
329.81119	1.0
477.77402	1.1
520.33759	4.4
537.30029	1.9
538.35840	30.0
553.66125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	2.6
56.04960	1.7
57.03366	0.4
58.06536	1.3
59.07299	0.3
60.08093	20.1
67.05426	2.6
69.06984	2.4
71.07289	8.3
79.05419	0.4
81.06973	2.5
83.08560	1.3
86.09625	68.0
87.09955	1.3
93.06964	0.6
94.98727	0.3
95.08526	1.8
98.98398	5.5
100.21931	0.3
104.10677	81.3
105.06949	0.3
105.11025	1.5
107.08521	0.6
109.10046	0.7
123.11701	0.3
124.99962	41.2
143.01054	0.7
163.01569	0.6
169.36475	0.3
184.07306	100.0
185.07605	1.7
258.10907	0.5
285.13037	0.3
297.77466	0.3
520.33777	6.4
538.34985	30.7
538.42566	1.5
539.35144	2.1
544.91699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82076	1.5
55.05443	3.4
56.63191	1.2
58.06538	2.1
60.08096	25.0
67.05411	7.5
69.06985	3.3
71.07281	9.3
73.43783	1.3
80.85978	1.4
81.06965	3.3
81.78405	1.5
86.09627	71.4
95.08456	1.6
98.98383	6.2
104.10679	94.5
124.99966	46.4
129.24583	2.1
133.10030	2.2
166.05986	1.4
184.07297	100.0
185.07553	2.0
520.33655	8.0
538.34973	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3501
Annotation	1-O-Palmitoyl-2-O-acetyl-sn-glycero-3-phosphorylcholine
Peak:m/z	Relative Intensity
55.05434	1.8
56.94480	1.3
57.06064	1.1
60.08086	8.6
67.05438	1.8
69.06962	1.6
71.07276	6.7
79.98827	1.7
85.04491	1.3
86.09155	2.4
86.09631	53.7
91.75906	1.3
98.98399	3.3
104.10688	2.5
114.38098	1.7
124.99953	34.2
132.46609	1.3
141.77548	1.5
147.09215	1.5
160.45447	1.3
184.07307	100.0
246.52873	1.4
295.43872	1.5
538.34741	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	538.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81882	0.5
55.05449	0.9
56.04975	0.9
57.03365	0.9
57.07005	6.9
58.06516	1.8
60.08092	24.1
67.05438	1.0
69.06973	1.2
70.06567	0.5
71.07288	9.5
71.08549	3.7
71.89801	0.6
80.10227	0.5
81.06974	3.4
85.10098	1.2
86.09624	74.4
95.08537	3.3
98.98383	6.8
104.10677	100.0
109.10046	0.6
110.26926	0.5
124.99960	46.2
142.33444	0.6
143.01041	0.6
184.07300	98.3
189.99918	0.6
217.39433	0.6
258.10806	0.7
341.30392	1.0
351.62949	0.7
355.32010	0.8
374.41849	0.7
449.20587	0.7
520.37354	6.4
538.38574	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00700	2.5
55.05445	15.4
57.03366	4.2
57.07014	90.8
59.64238	2.4
61.02856	5.2
65.79788	2.4
67.05426	21.4
68.82661	2.4
69.06992	19.3
71.08552	68.0
81.06976	31.4
83.08533	13.7
85.02823	4.7
85.10107	38.5
95.08540	42.5
96.60389	2.6
97.10100	11.4
109.10110	19.3
110.45511	2.4
111.11685	10.9
123.11679	9.7
127.20284	2.9
206.47812	2.7
207.45143	2.9
225.80145	2.6
267.26730	19.4
281.93442	3.1
285.27863	4.3
315.55063	2.6
341.30432	100.0
359.31488	17.6
396.88165	2.9
429.55698	3.0
507.10483	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	539.3225
Annotation	Sanjoinine G2
Peak:m/z	Relative Intensity
52.15656	0.3
54.82059	0.4
58.06535	5.1
65.03855	0.6
65.14717	0.4
70.06516	0.4
72.08070	3.4
79.05363	0.6
84.08065	20.2
91.05416	7.7
98.09618	9.2
100.07560	3.4
103.05379	0.6
103.15018	0.4
105.06999	0.7
110.09663	0.6
112.11190	54.5
113.07060	3.3
113.11526	0.7
119.04892	27.8
129.13835	29.9
130.14160	0.6
132.05663	1.0
133.02774	0.6
133.06425	0.5
147.04384	100.0
148.05135	5.2
151.07507	10.8
155.11758	14.1
160.05151	2.3
161.05907	0.4
163.07510	16.6
176.04652	2.4
191.06990	93.6
192.07390	4.2
204.10182	12.1
212.17540	0.9
214.19199	1.4
218.11559	0.5
229.20178	2.0
231.11226	1.0
247.14290	7.1
248.12750	27.6
249.13199	0.9
275.17361	3.4
301.15488	2.6
319.20041	9.0
346.58710	0.4
347.33569	0.4
360.22702	2.3
375.23654	3.9
392.25589	0.5
393.28662	2.2
522.29358	0.4
539.32172	91.0
540.32550	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	539.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01810	2.2
55.39995	1.9
56.04960	2.8
58.06530	4.1
60.04446	3.4
69.03343	3.7
70.06503	29.8
72.08054	10.7
74.05980	4.0
81.03322	2.1
84.04420	14.2
84.08070	36.9
85.02818	10.5
86.09585	2.2
87.95608	1.8
88.03878	2.4
91.05380	10.2
95.04891	2.5
98.09606	3.9
110.07110	12.0
112.11197	61.2
113.65154	2.4
117.03316	3.0
119.04885	32.3
124.03970	2.4
125.05904	2.2
129.10155	3.5
129.13831	35.9
132.05667	2.9
136.07552	4.2
140.48773	2.1
144.76353	3.0
145.02788	5.0
147.04379	76.5
150.05461	3.2
151.03749	2.8
151.07530	4.7
153.05394	4.0
155.11736	11.5
156.98723	2.3
160.05141	3.2
163.07553	19.0
166.04997	2.3
177.05444	10.8
178.04915	4.2
179.05296	3.5
181.04872	4.9
188.13493	2.3
191.06989	100.0
194.04286	3.1
204.10167	5.2
228.38846	2.1
237.02759	2.9
244.12477	2.0
247.14449	4.6
248.12766	39.8
275.17340	2.7
304.48502	2.1
319.20053	9.6
348.99454	2.6
433.13943	2.7
527.09265	2.2
539.32214	83.2
540.32062	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	539.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	3.7
57.07000	5.2
68.33948	2.7
69.06982	4.3
80.53098	3.2
81.06966	6.4
86.91845	3.2
87.04398	3.4
89.05954	5.9
95.08508	4.5
115.90382	4.0
116.68706	3.9
121.10096	3.8
168.64055	4.4
225.95657	4.2
285.42587	4.9
297.92499	4.4
363.37048	4.0
372.39697	3.8
418.26761	3.6
494.33191	3.7
521.39081	6.5
539.33087	40.4
539.40332	100.0
539.59436	4.3
564.81360	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	539.3341
Annotation	Leptomycin B
Peak:m/z	Relative Intensity
72.75613	6.4
87.04401	7.7
89.05956	7.6
98.32382	8.5
108.52744	6.3
149.79932	7.3
153.71336	6.7
234.60460	7.3
258.46582	7.9
303.85950	6.6
310.63739	6.4
539.33014	100.0
539.40582	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53467	2.4
53.03893	2.6
55.05441	16.4
65.03854	2.4
66.30296	2.0
67.05428	21.2
69.03342	5.2
69.06989	40.4
70.06194	2.3
70.06516	30.7
71.04897	5.7
72.08066	3.7
72.55055	2.6
74.85304	2.4
79.05415	21.6
81.06973	78.5
83.04919	9.4
83.08535	3.7
84.04427	5.6
84.08078	20.4
85.02825	6.3
85.06459	5.6
86.09621	9.5
91.05391	13.9
93.06967	49.4
95.04897	100.0
95.08518	48.7
97.06431	3.7
97.10089	3.6
97.71637	2.7
99.04423	2.5
103.05434	2.5
105.06949	28.7
107.04928	2.9
107.08536	26.1
109.06475	27.9
109.10094	31.1
110.07130	5.7
111.08054	4.8
112.11169	17.8
119.04895	10.3
119.08508	20.4
121.10046	21.5
123.11661	38.4
123.15752	2.4
124.03915	13.7
127.03786	3.4
127.07491	17.1
127.11062	2.9
129.10139	3.3
129.13812	5.3
131.08557	3.5
133.10100	10.0
135.11652	14.7
137.13225	4.6
139.11151	4.4
142.07744	2.9
145.10088	15.1
147.04385	44.7
147.11665	13.3
148.05171	2.7
149.09589	3.5
149.13196	5.6
151.03873	10.8
151.07465	3.4
157.10075	3.7
159.11676	4.9
161.13231	6.1
163.07506	5.3
163.11130	4.5
167.10593	2.4
173.13300	3.1
178.48718	2.8
181.04913	4.0
191.06964	40.1
204.01198	4.0
213.16336	3.4
247.14310	3.4
248.12762	5.5
269.22620	3.9
287.23715	16.2
305.24536	4.1
319.20068	2.9
323.25656	22.0
539.32117	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	3.5
57.03366	3.4
57.11631	1.3
58.10613	1.3
59.69479	1.5
61.02858	11.0
67.43851	1.4
69.03351	25.7
71.04895	1.7
73.02821	2.3
76.56037	1.8
81.03333	9.3
85.02830	100.0
91.03889	2.3
95.04900	13.6
97.02822	26.9
98.98099	1.4
99.04388	2.5
109.02824	3.0
111.04420	1.4
123.04388	12.3
124.07546	1.6
127.03878	22.4
137.05969	6.2
137.39256	1.5
140.04662	55.9
145.04951	23.1
155.06999	20.2
160.54613	1.7
163.05966	6.6
167.03296	1.9
173.08025	3.5
181.04935	6.8
199.05983	27.7
222.16185	1.3
344.38190	1.8
484.88373	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	541.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98701	1.3
55.05463	1.7
56.04991	1.4
62.87409	1.7
69.03365	2.2
70.06513	25.8
72.08065	7.6
74.06014	2.0
83.06011	3.8
84.04419	3.0
84.08054	3.4
85.02831	4.1
86.09625	2.8
97.02814	2.5
98.97535	1.7
109.26019	1.7
110.07096	13.4
113.05879	1.6
114.66293	1.6
120.08041	2.2
129.10220	3.1
145.02831	3.6
147.04402	1.9
163.26398	1.6
166.93059	1.9
177.05431	9.8
181.04974	2.4
227.96677	1.8
242.89038	1.9
347.09357	2.1
361.08911	3.2
379.09860	29.1
515.76379	2.5
541.15186	100.0
542.15070	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	541.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	3.4
55.05452	21.6
57.03361	3.7
57.06997	6.7
60.04436	4.0
61.01083	26.4
67.05428	52.4
69.06974	17.1
71.08553	3.0
71.12037	2.8
72.04430	55.3
78.03709	38.3
78.04125	3.7
79.05401	11.9
81.06972	55.7
83.08524	5.0
83.88435	2.7
85.06464	4.2
85.71223	2.6
87.99112	2.7
88.02135	6.4
88.07533	3.3
89.05955	4.5
91.05412	6.9
93.06969	12.3
95.04893	3.1
95.08538	38.1
95.28896	2.6
97.10139	3.9
102.03706	63.0
105.06942	5.2
107.08537	6.9
109.10102	16.0
114.03686	15.9
119.08463	3.8
120.04766	5.0
121.10105	4.6
124.07500	3.3
131.06351	18.8
132.04752	35.3
133.10059	4.3
134.43039	3.8
135.11664	4.6
137.01067	3.2
142.08603	6.6
149.07405	60.0
159.05872	3.3
163.14734	3.3
245.05733	2.9
256.26239	6.8
261.12543	4.3
292.26303	3.2
334.27426	27.7
395.83328	3.0
411.25229	4.4
411.30307	100.0
495.52258	3.1
523.35382	36.1
540.53577	4.9
547.82935	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	542.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	3.0
56.04968	0.6
57.03354	1.0
58.06542	0.6
60.08089	7.0
61.86362	0.4
65.69878	0.5
67.05431	7.7
69.06992	4.4
71.07292	6.4
76.15076	0.5
77.27670	0.4
79.05408	2.8
80.51803	0.4
81.06974	7.0
83.08506	0.9
86.09628	27.0
93.06956	2.1
95.08533	4.7
104.10679	100.0
105.06988	0.8
105.10973	1.1
107.08511	1.2
109.10149	0.6
146.98141	16.4
337.27094	2.5
483.24698	36.1
484.24994	2.3
542.32031	23.1
543.32147	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84737	1.7
53.03892	2.4
55.01801	3.7
55.05453	77.6
57.03370	15.6
57.07012	6.1
59.04893	2.2
67.05433	73.8
69.03352	4.8
69.06985	27.2
77.14364	2.2
77.64558	2.4
78.27071	2.1
79.05407	29.4
81.06976	66.5
83.04911	5.3
83.08546	44.8
85.06447	2.9
89.05949	13.7
91.05414	9.9
93.06982	24.5
95.08539	42.0
97.10110	92.6
104.73947	2.2
105.06956	3.4
107.08535	31.8
109.10094	18.0
119.08540	3.3
121.10098	3.2
123.11640	4.2
125.09597	74.6
133.08586	3.6
133.10095	4.9
135.08011	3.4
138.17406	2.5
143.10710	3.1
153.09048	3.1
171.10164	4.4
182.13971	2.5
189.11194	44.2
227.12746	83.2
245.13821	32.6
263.23706	3.3
283.26318	2.7
311.29422	2.8
337.27319	25.8
492.39783	2.5
494.10092	2.6
507.36722	100.0
543.28735	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39441	4.4
54.82004	4.7
55.01799	8.1
55.05455	100.0
57.03372	14.0
57.06994	5.4
59.52318	5.6
61.95881	5.0
67.05421	95.5
69.06976	40.9
72.96053	5.7
79.05403	37.8
81.06974	96.8
83.08535	68.9
86.09602	10.0
88.94534	4.9
89.05952	37.2
91.05422	22.4
92.10184	6.2
93.06949	22.2
95.04866	5.4
95.08526	48.3
97.10095	97.8
105.06960	9.1
107.08542	34.3
109.10077	12.1
120.08063	9.1
121.10044	7.9
125.09572	74.9
126.19961	6.3
133.10109	9.4
159.20497	5.4
159.98735	5.6
189.11183	39.4
222.38513	5.4
227.12741	62.0
245.13736	42.5
315.93622	6.7
327.20233	6.1
337.27304	72.2
507.36783	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11152	0.4
73.89046	0.5
77.41925	0.4
105.25242	0.5
152.90497	0.5
154.29160	0.6
176.92017	0.6
341.14981	0.6
381.07901	9.7
470.50156	0.6
485.70419	0.7
543.13141	100.0
544.13428	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	543.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62407	0.6
57.07010	3.1
57.93172	0.7
58.53577	0.6
64.73633	0.7
67.57083	0.7
69.07000	0.7
71.08540	1.2
73.06504	0.7
82.77139	0.7
89.05956	7.0
109.98093	0.8
133.08591	1.6
140.88011	0.8
194.63464	0.8
219.52766	0.9
356.77570	0.9
543.34955	100.0
544.35492	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	544.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77560	0.4
55.05455	3.9
56.04961	0.7
57.03365	0.9
57.06997	0.9
60.08096	7.3
67.05418	2.5
69.06992	6.9
70.10902	0.3
71.07289	6.0
71.08540	0.4
72.07549	0.4
79.05397	1.9
81.06972	3.4
83.08553	3.6
86.09628	27.9
92.10262	1.6
93.06978	0.7
95.08533	2.6
97.10085	1.7
104.10680	100.0
105.11015	0.7
109.10110	1.7
121.10073	0.7
122.87164	0.4
135.11748	0.5
146.98167	15.1
154.55586	0.4
164.99211	0.7
176.99173	0.6
246.69466	0.5
339.28879	7.1
430.48083	0.5
485.26276	36.7
486.26816	2.3
544.33630	26.3
545.34131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	84.0
57.03354	13.6
57.07014	5.7
57.98453	5.1
63.19578	4.3
64.39924	4.2
67.05420	40.8
69.03340	6.8
69.06979	47.8
71.08550	5.6
76.56326	5.7
79.05397	30.0
81.06975	53.4
83.08537	70.2
91.05369	5.2
93.06982	9.6
95.08524	27.4
97.10093	100.0
105.07021	8.5
107.08527	29.2
109.10088	6.6
121.10105	11.2
125.09608	83.5
135.08009	7.2
135.11722	6.8
189.11108	32.9
227.12704	62.6
245.13794	36.5
339.29007	39.6
509.38477	44.7
545.39740	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	544.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	84.0
57.03354	13.6
57.07014	5.7
57.98453	5.1
63.19578	4.3
64.39924	4.2
67.05420	40.8
69.03340	6.8
69.06979	47.8
71.08550	5.6
76.56326	5.7
79.05397	30.0
81.06975	53.4
83.08537	70.2
91.05369	5.2
93.06982	9.6
95.08524	27.4
97.10093	100.0
105.07021	8.5
107.08527	29.2
109.10088	6.6
121.10105	11.2
125.09608	83.5
135.08009	7.2
135.11722	6.8
189.11108	32.9
227.12704	62.6
245.13794	36.5
339.29007	39.6
509.38477	44.7
545.39740	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	545.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41480	3.0
55.01815	6.9
55.05462	5.2
57.07014	48.1
59.78694	3.4
61.01089	20.2
67.05434	15.5
69.06994	9.3
71.08559	39.3
72.04425	42.3
78.03706	34.7
79.05393	3.6
81.06978	28.8
83.08575	7.5
85.10130	17.8
88.02131	6.0
92.10979	7.2
93.06998	5.0
95.08556	18.8
96.16602	3.6
97.10082	6.0
102.03691	49.3
105.06967	5.1
106.39026	3.6
107.08559	5.1
109.10107	16.7
113.60859	4.1
113.87645	4.0
114.03724	14.5
120.04806	6.3
122.09621	4.0
123.11727	5.1
131.06380	18.0
132.04765	29.2
142.08635	6.7
142.97166	4.0
149.07408	63.3
184.09679	4.1
261.12656	14.2
267.26657	6.3
317.00052	4.3
338.30341	33.5
396.19699	4.2
415.33426	100.0
527.38568	43.6
545.39923	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58705	6.2
50.79031	7.0
55.05445	9.0
55.88960	7.5
57.07018	74.2
65.13789	7.0
67.05409	17.8
71.08553	47.4
77.25281	8.0
81.06973	21.5
83.08555	9.7
85.10112	14.8
86.09629	66.0
89.05964	19.3
95.08554	17.8
109.10139	8.5
129.75380	8.9
140.00694	10.6
146.98177	74.4
243.73431	8.7
265.21912	9.3
307.66370	8.8
320.96063	9.2
341.30432	20.8
342.66678	10.2
382.49417	10.0
487.27618	82.3
500.97141	10.3
546.14264	10.0
546.35297	100.0
547.35461	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	546.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	0.9
58.06531	0.7
60.08096	24.7
64.32884	0.6
65.76067	0.6
67.05421	5.0
69.06984	1.5
71.04916	0.6
71.07284	10.8
79.05403	2.4
81.06964	5.2
81.08662	0.6
81.80377	0.5
82.95383	0.5
86.09626	77.7
87.09935	0.6
93.06986	3.9
95.08561	3.0
98.98386	6.1
103.80022	0.6
104.10680	93.4
105.11040	0.6
109.10150	1.0
121.10109	0.8
123.11726	0.6
124.99963	49.1
143.01094	1.1
172.95215	3.0
176.02852	0.6
184.07307	100.0
186.96829	3.9
190.96349	1.2
204.97849	6.1
228.97641	0.7
278.99905	0.7
319.19559	1.0
337.20538	3.0
363.28989	0.9
473.19626	3.5
479.09814	0.7
487.21262	4.8
528.34448	5.9
530.18488	0.7
545.16980	0.7
546.35461	34.4
547.35760	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96500	10.2
59.53904	0.7
67.05434	1.7
69.06980	0.9
81.06957	1.9
86.57615	0.9
92.10871	1.1
102.92564	4.4
118.91982	1.0
124.99928	1.0
136.93118	5.5
146.99678	1.3
149.01254	1.0
154.94135	28.2
172.95186	94.2
184.96886	0.9
190.96243	73.6
195.96825	3.5
208.97275	1.4
210.96648	13.1
213.97818	2.3
216.97807	1.1
228.97786	41.7
246.98892	13.3
251.99236	1.2
277.65048	1.0
319.19379	7.4
335.19019	1.8
337.20422	31.8
355.21194	1.3
399.16080	1.8
417.16943	3.7
455.18399	13.0
473.19678	100.0
474.19879	4.9
480.57089	1.1
496.21033	2.2
547.23419	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	547.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	1.4
56.96500	12.9
66.05497	0.7
67.05422	1.1
68.50164	0.6
71.95185	0.6
81.06991	0.8
82.89127	0.7
92.98586	0.7
95.08530	0.8
97.83863	0.7
102.92530	4.8
103.57800	0.6
114.86112	0.7
128.98561	1.3
136.93102	4.7
139.43797	0.7
146.99672	1.4
154.94135	28.5
172.95200	100.0
190.96255	79.4
195.96785	3.4
198.96814	0.8
208.97313	1.4
210.96721	12.6
212.98358	1.3
213.97746	1.5
228.97801	47.6
230.99385	0.8
246.98853	14.4
251.99307	1.3
319.19366	10.6
335.18958	1.2
337.20444	34.1
338.20697	0.9
355.21515	1.1
360.21957	1.4
399.15829	3.0
417.17065	3.0
455.18478	13.0
473.19684	95.8
474.19827	3.5
491.20432	3.0
496.21451	2.7
547.23413	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	547.3602
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
65.59177	2.2
67.05418	3.6
70.18763	2.3
75.70660	2.3
81.06967	4.9
91.61035	2.6
95.08523	5.1
109.10127	2.6
119.08556	4.0
161.78348	2.8
218.22714	2.6
438.04187	2.8
540.79590	3.0
547.35913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	5.7
55.01810	8.2
55.05436	5.8
56.04958	2.3
57.03377	4.7
59.58326	2.1
61.02843	2.7
65.03873	2.3
67.05429	15.0
69.03346	41.2
69.06987	5.0
70.06139	2.9
70.06509	56.4
71.04913	5.4
71.06833	2.4
71.42046	2.4
72.08064	13.9
73.02816	4.1
74.05990	4.1
79.05408	10.6
81.03339	25.3
81.06979	3.9
83.04887	13.1
84.04440	16.9
84.08063	21.4
85.02831	49.5
86.09618	9.6
87.00751	21.6
88.84500	2.2
91.05400	13.1
93.06965	12.4
95.04887	23.6
95.08533	4.4
97.02816	31.1
97.06457	4.2
99.04376	11.6
102.05500	3.6
105.01791	12.7
105.06967	25.1
106.02874	2.6
107.08529	15.5
109.02831	31.7
109.06467	9.9
109.10116	4.2
110.07114	11.8
111.04379	4.3
112.71790	2.3
117.06939	4.7
119.04884	5.1
119.08524	27.1
120.08052	2.8
121.06458	11.6
121.10110	4.5
123.07991	18.9
124.03896	5.8
124.48373	2.3
127.03876	29.1
129.01807	2.5
129.10194	9.1
131.08510	18.5
133.06439	2.7
133.10062	4.8
135.08005	23.2
136.07581	3.8
137.09576	5.8
142.07729	4.1
142.55235	2.3
143.08502	5.1
144.09271	2.8
145.04958	3.0
145.06503	4.5
145.10091	14.0
147.04398	5.4
147.08005	11.8
147.11696	3.7
148.06009	2.5
149.09537	3.6
155.08411	4.8
156.09296	3.8
157.10085	5.8
159.02884	4.7
159.08054	16.1
159.09171	3.1
159.11633	19.5
161.09607	22.0
163.07477	2.8
165.09061	11.6
168.09322	2.6
171.08199	2.8
171.11613	12.9
172.08765	4.1
173.09567	5.5
173.13193	5.2
175.03812	3.0
175.07494	18.2
175.11110	8.8
177.05434	2.7
183.11534	8.6
187.11151	11.9
189.09064	10.3
189.12692	3.7
199.11140	22.8
201.12691	13.1
202.66721	2.6
203.10599	8.5
207.06548	4.6
211.11058	9.6
217.12219	15.4
219.13719	3.9
227.10161	2.9
229.12126	12.9
231.04955	3.1
247.13243	83.4
248.13736	3.2
265.14301	100.0
266.14691	3.3
477.17337	3.1
495.18445	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	548.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	0.2
53.22815	0.1
54.82287	0.1
55.01801	0.2
55.05449	2.0
57.03361	0.6
61.02848	0.1
65.03860	0.3
67.05416	0.2
69.01472	0.1
69.03349	4.6
69.20680	0.1
71.04897	0.5
73.02831	0.1
78.42921	0.1
79.05385	1.0
81.03322	0.9
83.04427	0.2
83.04897	4.3
85.02836	2.6
86.54520	0.1
87.04367	0.1
91.05405	7.4
92.10308	0.2
93.06971	0.6
95.04887	0.7
97.21904	0.1
99.04369	0.6
101.02293	0.1
103.05412	1.0
104.06181	0.8
105.06956	1.3
107.08534	4.8
109.06485	0.2
111.04385	1.4
115.05389	0.1
117.06967	1.9
119.08535	100.0
120.08862	1.4
121.06411	0.1
123.08038	0.6
129.05434	1.0
133.06459	10.5
133.07474	0.5
133.10092	0.2
135.08023	2.6
137.30568	0.1
138.75133	0.1
141.32515	0.1
142.07791	0.2
143.08488	0.2
145.10074	0.5
156.09265	0.1
157.04871	0.1
157.10081	0.6
159.11671	0.2
169.70753	0.1
171.11609	0.2
171.93242	0.1
173.09547	0.2
191.78481	0.1
216.48137	0.1
235.14766	0.5
243.10124	0.5
263.12778	2.7
302.48309	0.1
307.11655	0.5
397.20020	1.2
411.18039	0.5
503.79349	0.1
531.27344	2.7
532.27435	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00244	1.4
55.01814	1.4
55.05451	24.4
56.87889	1.1
56.96496	1.2
57.03371	11.6
57.07018	13.5
60.08092	1.0
67.05429	89.2
67.48025	1.0
69.06989	31.3
71.04195	1.0
71.08541	5.5
71.76274	1.2
73.02819	1.6
77.54151	1.1
78.72235	1.1
79.05405	24.6
81.06977	100.0
82.07276	1.8
83.04900	2.1
83.08534	19.0
85.02819	7.5
85.06467	2.1
85.10115	1.7
86.09631	7.9
91.05399	18.2
92.10877	1.4
93.06977	30.8
95.01258	7.0
95.04913	1.7
95.08535	92.1
97.06459	5.9
97.10104	9.2
99.08026	2.1
100.02280	1.0
104.10693	2.7
105.06965	15.4
107.08543	19.2
109.10104	38.9
111.08036	1.9
111.11680	1.4
113.02330	1.2
119.08528	13.6
121.10094	21.3
123.11675	16.2
124.99946	6.3
125.09607	1.7
127.67775	1.1
131.08536	1.6
133.10124	17.5
133.45078	1.4
135.11641	8.2
137.09584	2.2
137.13216	5.4
141.01830	8.0
147.11658	11.4
149.13235	7.2
151.14847	2.2
155.14328	1.3
157.81392	1.2
161.13234	9.8
163.14774	7.0
165.16353	4.4
172.95204	5.8
174.98503	2.5
175.14780	8.3
179.17909	1.7
184.07352	7.4
186.96822	4.9
189.16412	1.8
190.96167	3.6
204.97833	6.7
208.85971	1.3
213.00079	5.6
228.97800	1.6
234.47876	1.4
245.22604	29.2
263.23639	42.2
264.24170	2.4
337.27280	34.2
355.28445	5.5
428.85986	1.3
488.21368	2.5
513.30585	4.7
549.24988	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	548.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05431	1.0
56.04959	1.4
59.63324	0.7
60.07821	1.1
60.08094	21.5
67.05423	3.0
69.06969	1.0
71.07293	7.2
79.05395	1.1
81.06968	4.9
86.09625	66.3
93.06975	1.0
95.08505	1.8
98.98380	5.7
104.10674	100.0
124.99030	1.4
124.99955	39.5
135.87984	0.8
167.88911	0.8
184.07297	82.9
186.96721	1.1
328.20911	0.9
355.84338	0.9
489.23410	4.3
530.36157	6.5
548.37292	27.0
549.36560	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90663	0.2
52.56580	0.2
54.81743	0.2
55.05447	0.8
55.42159	0.2
56.04977	0.4
57.03392	0.2
58.06524	0.3
60.08096	10.1
67.05428	1.4
69.06988	0.8
71.07291	4.3
75.00127	0.2
77.47484	0.2
79.05394	0.2
81.06974	1.5
86.09628	50.3
87.09960	0.4
93.06992	0.2
95.08529	0.4
98.98401	4.2
104.10687	4.3
109.10100	0.3
112.88113	0.2
124.99964	37.0
143.01024	1.2
164.93106	0.2
174.39149	0.2
176.12982	0.2
177.95528	0.2
184.07307	100.0
185.07582	1.0
188.14978	0.2
189.00093	0.8
216.10191	0.2
216.16385	0.2
227.01669	0.3
245.22449	0.2
266.51105	0.2
323.46967	0.2
336.39023	0.2
530.35754	1.0
548.37128	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	549.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.7
53.30771	0.4
54.67632	0.5
55.01789	0.6
55.05437	3.0
57.03358	2.1
57.07003	2.5
57.99128	0.5
59.04929	0.9
61.02845	2.2
64.33666	0.6
65.03857	0.5
67.05431	17.2
67.98914	0.5
69.03354	6.6
69.06973	2.6
70.06504	9.3
71.04893	1.2
72.08070	1.1
73.02811	1.0
77.17797	0.5
78.39101	0.5
79.05400	1.3
81.03336	1.1
81.06985	3.8
83.04897	2.7
83.47520	0.5
84.04427	3.6
84.08070	4.2
85.02348	0.6
85.02827	15.8
85.06468	10.3
86.09621	0.8
91.05390	3.1
92.10183	0.6
93.06964	6.1
95.04890	2.5
95.08533	100.0
96.08814	0.6
97.02836	4.4
97.06483	1.0
105.06980	6.5
107.08537	10.3
109.02818	2.3
109.06438	3.1
109.10096	1.2
110.07095	0.7
113.05948	8.0
119.04826	0.7
119.07764	1.0
119.08542	16.9
120.08018	0.9
121.06431	2.1
121.10101	7.1
123.08022	28.0
123.11641	2.6
124.03889	1.2
127.03868	3.4
129.06561	0.5
129.10185	1.1
131.08505	1.1
133.06396	0.6
133.10063	3.0
134.99574	0.5
135.11658	9.9
137.09549	2.5
145.02843	0.7
145.04915	2.9
145.05983	0.6
147.04369	0.8
147.08075	0.9
147.11676	5.2
149.09592	25.2
151.07469	0.8
151.14748	2.2
161.13258	7.3
163.11136	4.8
165.08984	0.6
165.12698	5.8
171.11665	0.9
174.10391	1.3
176.86414	0.6
179.14243	1.2
189.12691	9.0
207.13760	40.6
225.14793	3.7
277.12180	0.6
519.61420	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	0.3
53.57743	0.2
54.81590	0.3
55.05455	3.5
56.04973	1.7
56.96493	0.3
57.03366	0.3
57.62393	0.3
60.04468	0.5
65.85377	0.3
66.23691	0.2
66.33559	0.2
68.04959	0.3
70.06512	100.0
71.06844	0.6
72.08070	29.5
74.05992	7.3
76.02145	0.4
81.03328	0.5
82.06512	0.3
84.04433	2.2
84.08068	1.6
84.60033	0.2
85.02838	0.6
86.09624	0.4
92.63686	0.3
97.01923	0.2
97.02796	0.3
98.05994	1.1
99.05487	0.3
100.64632	0.2
105.07013	0.4
106.02862	0.4
109.02853	0.6
110.07129	1.2
116.07034	4.0
120.08071	1.2
124.03947	1.3
127.04078	0.4
127.04990	3.0
129.10199	0.4
143.08188	1.0
161.09201	2.5
166.08650	0.4
171.07591	3.2
184.02835	1.5
189.08748	1.8
198.12173	0.3
216.53424	0.3
217.08627	1.1
217.13383	0.3
235.09654	0.6
263.13846	36.1
264.14169	1.4
265.12280	1.2
266.10681	0.9
270.14474	2.0
282.14682	0.3
283.13223	4.7
284.11615	2.1
288.15463	0.5
291.09970	0.4
301.14407	1.4
308.12787	0.3
309.11108	2.8
327.12332	0.6
341.18494	1.1
349.17862	0.4
359.20050	0.3
360.19342	0.4
362.20645	1.1
389.22275	1.4
396.64636	0.3
407.23276	4.5
425.24265	5.2
473.27823	2.9
491.28955	35.6
551.31073	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	550.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	53.7
57.06999	28.7
61.17090	3.8
67.05425	60.2
69.06990	100.0
71.08534	11.0
73.81961	4.4
75.54652	4.6
77.04597	3.9
78.57482	5.5
79.05405	30.5
81.06977	67.7
83.08542	64.4
85.02809	6.6
85.10119	4.4
93.06964	44.9
95.01253	8.8
95.08527	67.6
97.06443	9.1
97.10100	39.6
107.08542	30.7
109.10071	35.4
111.08009	8.2
111.11672	10.2
121.10097	50.4
135.11687	33.6
141.01797	18.0
149.13255	18.2
154.90614	4.5
247.24084	31.0
251.62601	4.8
265.25165	65.5
272.28580	4.4
283.26181	16.4
307.77051	4.3
339.28909	64.4
357.29932	36.4
390.93991	4.8
421.30975	6.2
551.35620	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	550.3865
Annotation	Butenoyl PAF
Peak:m/z	Relative Intensity
54.82069	1.0
55.05450	1.3
57.07016	1.1
60.08091	12.1
67.05435	0.8
67.45937	1.2
71.07300	7.5
76.41995	1.0
80.41479	0.9
84.95764	1.0
86.09629	56.0
96.20839	1.0
98.98394	4.1
104.10677	17.4
119.08535	1.5
120.73821	1.0
124.99966	34.9
140.68452	1.0
184.07310	100.0
210.30153	1.0
213.25555	1.0
231.95427	1.1
334.66962	1.0
491.84927	1.1
504.49084	1.1
506.35889	4.2
550.38342	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	550.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30909	0.6
55.05441	3.4
56.04975	1.4
58.06521	0.9
60.08094	24.6
67.86681	0.7
69.06985	3.2
71.07289	9.1
77.96320	0.8
81.06965	0.8
81.78454	0.6
83.08550	2.8
86.09624	71.8
95.08529	1.1
98.98398	6.6
104.10676	100.0
124.99025	1.4
124.99958	44.8
126.00307	0.8
143.28333	0.6
158.21141	0.7
184.07298	99.2
474.76773	1.0
532.37494	7.9
550.38550	37.2
551.38849	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	550.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01819	4.1
55.05450	1.9
56.36364	1.7
57.03376	2.4
57.07008	15.4
63.34956	1.7
67.05439	2.4
67.47759	1.5
70.06496	23.0
71.08553	2.7
71.95602	1.7
79.05418	2.7
81.06989	3.9
85.02841	11.4
86.09582	1.6
88.07545	27.1
88.07972	1.8
93.06971	3.2
95.08547	2.3
99.04377	26.7
101.02345	2.4
102.09122	21.3
103.53403	1.6
105.06982	2.1
107.08549	2.4
109.10102	2.7
115.68136	2.2
117.07040	2.1
119.08528	8.1
128.04642	15.3
133.10147	4.0
137.05992	2.4
137.09660	2.9
141.04240	1.6
161.09642	2.3
165.05403	2.1
175.11197	3.7
193.12227	2.1
209.08047	2.4
221.11848	2.7
233.12231	1.8
256.26294	92.7
265.14325	9.3
285.29065	2.3
321.17053	1.8
321.20377	13.4
402.99274	2.2
550.44617	100.0
551.45032	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	551.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05459	0.6
56.96492	0.8
58.52920	0.3
68.28105	0.3
70.06509	16.3
71.06837	1.9
72.08079	4.1
73.08385	0.5
74.05957	0.7
80.63290	0.4
84.04411	0.3
105.02543	0.3
105.06976	0.4
110.07181	0.4
116.07024	0.4
120.08053	0.4
127.04968	0.3
133.10170	0.6
133.97044	0.3
136.18805	0.3
159.03268	0.8
169.01695	0.5
184.02773	3.6
185.41087	0.3
187.02768	0.7
197.05965	0.7
199.07626	0.4
201.09009	0.6
202.03894	2.1
205.03981	0.5
215.06938	1.1
217.08624	3.2
227.07028	0.6
235.09654	2.1
238.11203	0.4
245.08025	0.6
247.11153	0.7
248.09494	0.4
262.11981	0.4
263.10901	0.7
263.13876	3.7
264.14008	2.8
265.12222	4.1
266.10501	4.0
269.15436	0.4
279.10049	2.9
281.11685	0.6
282.14890	1.6
283.13229	15.5
284.11621	4.6
286.13199	0.6
291.10141	1.6
293.11435	0.4
297.11130	0.7
301.14304	5.4
302.12512	0.6
308.12817	0.7
309.11154	9.4
311.12631	1.2
319.13361	0.4
321.15662	0.4
323.17508	0.5
326.13791	1.4
327.12262	3.0
331.16852	0.4
341.18533	3.7
342.18784	0.4
346.21716	0.5
347.20258	0.5
349.17767	0.4
359.19705	0.4
360.19620	0.6
364.22720	2.0
375.15836	0.6
381.25308	0.5
389.22156	6.5
393.16956	0.6
395.79581	0.4
407.23251	16.8
425.24304	14.9
437.25757	0.4
455.26831	2.0
473.27884	7.3
477.13318	0.4
491.28949	100.0
492.29205	5.0
551.31055	7.9
552.31799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93528	2.2
57.88007	3.1
58.63832	2.2
68.58933	3.0
69.03915	2.6
70.06510	7.0
72.08080	3.1
73.98168	2.6
81.87763	3.1
84.08066	38.2
86.09617	12.9
88.11892	2.7
91.05416	5.4
95.04869	2.6
98.09640	24.4
110.09648	6.8
119.04884	22.6
137.06003	3.2
147.03221	4.6
147.04390	100.0
148.05103	3.7
153.10165	3.4
163.07483	3.5
171.17656	3.4
191.06995	73.2
220.05444	3.2
248.12753	47.2
275.17477	6.1
280.34604	2.9
301.15305	4.2
401.61212	3.5
443.20599	3.4
494.26224	6.0
496.27753	4.5
508.27725	4.8
551.32184	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	0.6
57.03366	0.8
61.02852	1.5
67.81262	0.3
69.03350	6.5
70.06493	0.4
71.04944	0.4
73.02819	0.5
74.02341	0.6
78.03369	2.7
80.04929	1.6
81.03331	6.0
83.44926	0.3
84.04412	0.6
85.02827	10.0
87.04392	0.4
88.03908	0.4
96.04422	3.2
97.02823	4.3
98.56463	0.3
99.04367	1.5
106.02859	25.6
109.02823	5.2
111.04401	0.4
116.98499	0.5
118.72916	0.3
120.08018	2.5
121.08414	0.6
122.34863	0.3
124.03909	100.0
125.04227	2.0
127.03904	2.8
127.04797	0.3
134.04431	0.4
137.28557	0.4
141.82478	0.4
145.04900	0.5
158.46739	0.3
166.04936	0.5
168.42648	0.4
171.72513	0.4
210.34880	0.4
220.68936	0.4
232.06059	0.7
237.02824	0.5
250.07117	3.3
268.08093	34.9
269.08490	0.8
390.13824	9.1
391.14206	0.5
397.68427	0.4
430.12970	0.7
454.99652	0.4
552.19122	0.5
553.58588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00037	0.8
55.62699	0.7
56.96497	1.5
57.07006	0.7
79.69583	0.8
86.09628	1.3
92.86598	0.8
102.92551	5.1
103.38520	0.8
104.10700	1.2
132.92816	0.9
136.93082	5.0
154.94148	20.6
172.95201	100.0
190.96255	89.4
195.96829	5.1
197.98363	14.5
198.96881	1.1
208.97264	3.6
210.96812	16.9
212.98450	1.9
213.94101	1.1
213.97881	1.9
215.95647	1.6
215.99443	17.1
216.97861	1.0
228.97816	51.1
229.00127	1.8
230.99385	3.7
246.98894	10.8
251.99339	1.8
271.98264	3.7
272.02014	1.3
300.68137	0.8
313.20499	1.8
331.21426	4.4
393.17020	5.5
402.57993	0.9
411.18256	1.7
431.18768	5.0
436.21237	1.6
449.19727	44.9
450.19608	1.2
467.20786	14.6
490.22415	4.2
491.20508	4.2
492.17136	1.7
492.23923	37.2
493.24164	1.7
510.24536	4.5
533.26135	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	552.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	0.6
56.04966	1.2
56.98760	0.4
57.07008	3.8
57.30411	0.6
58.06534	0.9
60.08097	24.6
67.05440	1.1
68.24210	0.6
71.07284	9.5
71.08540	2.4
81.06979	0.8
85.10108	1.2
86.09630	73.2
93.06992	0.8
95.08540	1.2
97.10094	0.6
98.98421	5.4
104.10681	100.0
104.97163	0.6
109.23228	0.6
124.99967	46.1
153.18343	0.6
164.58383	0.6
184.07310	97.8
267.97784	0.7
332.68680	0.6
352.25299	0.8
369.33572	1.1
534.38983	5.9
552.40155	35.5
553.25342	1.2
553.40613	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	553.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12914	0.6
54.81499	0.8
55.05453	10.6
56.04973	1.3
56.96506	1.5
61.02832	1.0
62.85384	0.8
63.08287	0.9
65.03904	0.8
69.03335	3.6
70.06509	7.3
72.08070	100.0
73.11997	0.8
74.05604	0.9
74.05993	19.5
74.90159	0.9
78.42538	0.9
81.03324	1.0
84.04415	3.4
84.08046	2.1
85.02835	8.0
86.05975	1.5
87.05516	3.8
91.05389	1.3
97.02797	1.4
98.97511	3.5
110.07128	1.2
113.07084	2.1
115.05001	1.6
115.08677	0.8
116.98560	5.0
118.04877	0.8
119.04929	1.5
123.04368	2.0
125.81149	0.8
127.03874	1.3
127.04935	1.0
129.10222	9.8
131.08112	10.0
134.99626	1.7
136.07559	31.0
139.09781	0.9
141.05438	1.0
144.08064	1.0
145.04938	1.2
147.04434	1.3
151.03885	27.0
151.04933	1.2
152.04236	1.3
153.05473	1.1
157.09720	2.1
158.99617	1.1
159.07623	14.9
165.05428	11.6
167.06978	4.6
169.09628	1.1
171.09096	1.6
175.13028	0.9
182.08105	16.5
193.09718	2.1
198.08704	1.3
213.12231	1.3
219.01726	0.9
237.02829	4.6
239.10217	4.0
258.14401	4.0
261.02698	1.7
296.12384	7.6
315.16519	3.6
344.19266	1.6
354.17896	2.4
372.18622	1.6
381.10791	1.3
395.19159	1.5
535.24750	1.7
553.25983	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	554.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	0.7
53.58896	0.4
54.82010	0.4
55.01804	0.9
57.03362	1.0
61.02835	2.9
66.48948	0.4
69.03349	6.6
70.06516	3.6
71.04913	0.6
72.08058	0.4
73.02836	0.7
73.99168	0.4
81.03328	2.6
84.04420	0.7
84.08067	1.9
85.02344	0.9
85.02828	19.4
86.09589	0.5
89.07667	0.4
91.05401	0.7
93.06964	0.5
95.04881	0.5
97.02816	6.5
99.04365	0.8
105.06966	0.7
109.02831	0.9
110.07104	0.7
115.05383	3.1
117.06994	0.9
127.03861	3.0
128.06194	4.6
129.06961	28.5
129.07913	1.0
131.04890	2.0
131.08537	5.5
133.10086	0.6
137.05965	0.9
141.06967	0.5
143.04886	1.9
143.08499	0.7
144.05685	2.9
145.04922	1.1
145.06453	4.2
146.07242	2.6
152.13551	0.5
155.04877	8.2
157.06445	10.0
158.07248	8.2
159.04379	1.1
159.07977	0.9
160.05164	5.1
161.05913	1.1
161.09612	2.2
163.07361	0.7
165.05376	0.5
172.05142	5.1
173.05919	8.4
174.06718	47.7
175.07504	20.9
177.09039	0.6
183.04382	2.9
187.07503	38.1
188.08020	0.9
189.09061	38.5
200.04622	0.7
201.05405	3.6
203.07034	5.0
205.04939	9.5
205.08514	0.9
207.10095	0.6
215.07002	19.0
215.08946	0.9
233.08037	100.0
234.08397	2.0
251.09065	19.6
265.11966	0.7
283.13303	1.9
309.11108	0.7
362.75882	0.5
407.23175	1.0
425.24435	1.9
473.27939	0.7
491.28979	6.1
492.29120	1.1
493.29443	7.5
494.29385	2.8
554.28461	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	554.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	0.6
55.01803	0.7
55.05446	0.7
57.03367	2.1
61.02842	2.1
61.91185	0.4
66.30077	0.4
67.05429	1.0
69.03350	6.2
69.06986	0.5
70.06522	4.5
71.04905	0.9
72.08071	0.9
73.02819	0.8
74.38397	0.4
76.88763	0.4
79.05413	0.7
81.03329	3.0
81.06963	1.9
83.04887	0.6
83.05984	0.6
84.04427	1.0
84.08051	2.4
85.02343	0.7
85.02827	18.7
86.09592	2.0
87.04372	0.4
90.56210	0.4
91.03881	0.7
91.05389	1.8
93.06956	2.5
95.04893	1.9
95.08529	1.0
97.02821	8.1
99.04359	0.7
103.05356	0.7
105.06975	1.0
107.08562	1.1
109.02824	2.4
109.10104	0.8
110.07111	0.9
110.40452	0.4
115.05388	3.3
117.06979	2.5
119.04954	0.5
119.08519	1.0
120.08041	0.7
121.10081	0.6
124.03899	1.9
127.03857	2.3
128.06184	4.5
128.98532	0.5
129.06969	30.8
129.10226	0.8
130.07710	0.5
131.04874	2.5
131.08539	5.6
133.10132	0.7
137.05943	2.1
143.04938	0.7
143.08530	0.6
144.05698	3.0
145.04916	2.5
145.06506	3.8
146.07240	3.3
147.04335	0.5
147.07979	0.6
151.03868	2.3
155.04886	9.8
157.06465	11.4
158.07239	8.3
159.04362	1.8
159.07936	0.9
160.05154	5.5
161.05893	1.1
161.09567	2.7
172.05138	6.7
173.05966	5.5
174.06729	53.3
174.48424	0.5
175.07497	21.4
177.05400	1.1
180.08572	1.0
183.04376	3.0
186.72839	0.5
187.07512	41.4
188.08083	2.1
189.09074	41.3
190.09364	0.6
190.94315	0.5
201.05446	3.3
203.07007	5.8
205.04948	9.2
205.08572	0.6
215.06975	21.9
233.08041	100.0
234.08383	2.9
251.09103	18.0
251.11734	0.7
491.28812	1.1
554.27960	0.8
554.42023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65953	1.6
54.81367	2.3
55.05447	3.7
55.35356	1.8
57.07011	58.4
63.30578	1.9
69.06979	10.0
71.08545	44.9
73.06465	8.5
81.06950	4.2
85.10103	22.3
87.04388	8.8
89.05954	100.0
91.05714	10.6
91.10239	2.0
93.75680	1.9
97.10097	4.1
107.07029	2.8
107.58501	2.3
111.09989	1.9
111.11668	2.8
133.08577	33.2
145.42538	2.3
177.11205	13.9
223.06235	2.8
225.04285	3.7
285.00903	2.5
299.05988	2.3
299.29324	4.8
327.20068	13.6
461.33554	2.2
498.72223	2.6
537.43573	21.6
538.43494	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	555.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80352	0.2
56.04916	0.2
57.03367	0.9
58.06524	0.3
61.02840	1.1
68.04930	1.0
69.03056	0.2
69.03350	3.4
70.06488	0.6
73.02824	0.5
81.03321	1.5
81.07018	0.3
82.01604	0.2
83.04904	0.2
84.08045	1.7
85.02821	4.9
92.10287	0.3
95.04899	0.3
97.02823	1.8
98.09628	0.4
99.04388	0.3
105.03358	0.8
109.02876	0.3
112.11188	1.8
117.03282	0.3
124.04984	0.3
127.03817	0.4
129.13826	1.4
130.04955	0.5
132.49033	0.3
138.66260	0.2
140.03415	1.1
145.02823	2.9
148.05080	0.4
149.04614	0.3
155.11813	0.5
161.47272	0.2
163.03862	1.6
166.07211	0.6
172.06015	1.1
177.05399	2.7
178.27612	0.3
189.06458	0.3
191.06985	2.9
192.07332	0.4
201.06213	0.4
202.07185	0.6
203.07979	1.4
204.08763	7.5
215.07889	1.7
216.08765	100.0
217.09245	2.5
218.10254	3.3
225.06390	9.6
226.07204	3.7
227.08009	1.2
228.08870	0.4
229.09584	1.6
230.10306	11.3
231.10703	0.4
234.11258	0.5
240.08746	64.6
241.09387	4.0
242.10228	0.5
246.09839	4.8
248.12764	1.1
258.09796	2.7
268.08231	6.2
272.11395	4.4
283.09396	1.9
300.10852	49.7
301.11176	2.1
311.08838	0.5
315.11960	1.1
333.13162	1.0
343.11301	1.7
361.12442	2.9
375.13953	3.9
393.15079	53.4
394.15219	2.4
555.20428	1.6
555.31586	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	555.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91529	1.2
52.37289	1.2
69.30874	1.2
72.08057	1.2
98.97457	1.3
107.55069	1.4
118.06487	23.6
130.06479	2.2
132.08049	6.4
143.07216	2.2
144.08055	19.3
146.05977	97.8
158.05841	1.4
159.09129	9.4
170.05956	8.2
188.07021	100.0
189.07324	3.3
205.09673	27.8
239.02179	1.4
316.94318	1.6
343.11588	1.7
358.28751	1.3
392.88889	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	555.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46946	1.0
51.38055	1.3
60.08092	2.0
61.93694	1.2
64.33205	1.3
81.37443	1.2
86.09646	7.1
104.10692	8.8
124.99959	5.2
142.12434	1.4
184.07335	6.2
198.51991	1.4
204.10478	1.6
279.21942	1.3
496.33655	3.1
555.29193	100.0
556.29730	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	555.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22149	0.6
57.18186	0.6
61.89934	0.6
73.72944	0.7
86.48292	0.7
95.04914	1.6
120.33880	0.8
136.29524	0.8
324.51419	0.8
393.26050	0.9
555.31293	100.0
556.31769	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	555.3178
Annotation	PF1070B
Peak:m/z	Relative Intensity
55.05449	0.4
56.04951	0.7
58.06530	5.6
69.03334	0.5
69.82956	0.3
70.06506	6.5
71.04882	0.3
71.07216	0.3
72.08068	4.3
74.05898	0.3
79.05383	0.8
84.04403	1.6
84.08060	24.7
85.02831	1.1
85.08376	0.6
86.09617	0.5
86.88773	0.3
89.03824	3.7
89.89443	0.4
91.05366	1.7
93.07011	0.4
95.04865	0.8
97.02802	0.4
97.37067	0.4
98.08981	0.3
98.09619	10.5
98.68761	0.3
100.07056	0.3
100.07540	4.3
102.65445	0.3
103.05378	1.4
105.06989	2.4
105.07581	0.3
107.04864	2.1
109.02805	0.5
110.07075	0.7
110.09618	1.6
112.11184	58.6
113.07059	3.5
113.11504	0.7
116.98502	0.3
117.03310	4.8
119.04900	1.6
124.03885	0.7
129.10213	0.7
129.13829	33.0
131.04855	1.4
132.05661	2.0
133.02797	0.6
133.06436	1.4
133.10130	0.4
135.04372	15.5
135.11592	0.4
136.07509	0.4
137.06000	0.7
142.48260	0.3
143.15298	0.3
145.02831	11.4
147.04385	0.6
148.05156	5.2
151.07510	11.3
155.11752	16.1
156.12135	0.5
160.05179	2.6
161.05931	0.4
163.03859	60.7
163.07492	20.4
164.04256	1.2
164.07898	0.6
168.15742	0.3
176.04675	2.4
181.05045	0.4
190.08559	0.5
191.06982	100.0
192.07335	4.5
193.07430	0.4
212.10529	0.4
212.17531	1.3
214.19101	1.3
220.09641	8.4
229.20131	2.4
231.11296	0.6
234.11145	0.7
247.14304	5.7
248.12740	27.5
249.13026	1.4
254.15289	0.3
291.16971	2.4
317.14890	1.4
319.20053	10.0
376.22311	2.3
391.23141	3.4
393.28421	3.1
506.54123	0.4
555.31628	83.5
556.31909	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	555.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	2.7
53.03885	3.9
53.59568	2.1
55.01798	3.4
55.05443	15.3
57.03379	3.4
57.07024	3.4
58.28275	2.1
67.05442	25.5
69.03367	17.4
69.06992	20.3
70.06501	26.0
71.04912	14.8
72.08097	7.2
79.05407	20.6
81.03323	11.7
81.06984	85.9
83.04905	12.4
83.08533	3.8
84.04441	4.6
84.08071	16.2
85.02829	23.1
85.06470	12.0
86.09629	5.2
91.05403	20.4
93.06972	42.0
95.04901	88.3
95.08540	43.7
97.02821	2.9
97.06441	10.6
99.04376	10.8
103.03872	5.9
105.06962	20.5
105.55856	2.1
106.02870	9.6
107.04919	3.3
107.08544	37.2
109.02827	5.5
109.06472	100.0
109.10118	37.1
110.07078	4.5
111.04371	3.2
119.08486	18.2
121.06470	2.9
121.10088	18.8
123.08054	2.7
123.11667	27.1
124.03905	23.0
125.09648	2.8
127.03880	11.4
127.07551	5.3
127.11208	2.5
131.08521	3.0
133.10133	14.0
135.07999	14.0
135.11661	15.2
136.07524	3.4
137.09613	2.7
137.13261	5.9
139.11134	3.4
145.10133	10.1
147.11656	10.9
149.09663	3.3
151.11137	5.9
153.12741	3.7
159.11690	9.7
163.11189	2.6
173.13223	3.3
177.05478	3.1
177.16331	2.9
179.10645	3.6
179.77402	3.1
181.04816	2.8
197.11700	33.4
261.36676	2.6
266.00888	2.7
268.07968	4.8
303.23209	11.7
313.73184	2.8
321.24179	24.9
465.28372	4.2
483.29623	2.8
501.30200	2.8
555.27563	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	556.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33110	1.2
53.03888	1.1
53.63095	1.2
53.96065	1.1
54.81947	1.4
55.01802	2.2
55.05438	9.0
57.03350	1.6
57.06994	3.0
58.79653	1.2
59.09964	1.1
59.40191	1.1
67.05432	15.9
69.03338	7.5
69.06982	24.8
70.06516	14.0
71.04904	2.9
71.06837	1.7
71.09999	1.3
72.08064	5.3
77.97874	1.3
79.05407	11.5
81.03324	1.8
81.06512	2.3
81.06978	62.7
82.07328	1.4
83.08524	7.1
84.04426	2.2
84.08057	3.5
85.02827	5.8
85.06448	3.2
86.09605	8.5
87.60097	1.3
91.05388	9.1
93.06973	17.6
95.04890	100.0
95.08534	24.2
97.02811	1.5
97.06470	5.3
97.10115	1.8
98.56090	1.3
98.66393	1.3
99.04345	1.7
99.08015	2.7
101.05974	1.6
105.06944	6.8
106.02856	1.8
107.08540	18.3
109.06470	72.1
109.10127	18.3
110.07101	2.8
111.08031	3.3
119.04807	1.4
119.08522	7.4
121.06465	1.7
121.10088	11.4
123.08022	1.7
123.11660	13.0
124.03918	3.1
127.07512	11.9
133.10072	6.9
134.49576	1.4
135.08009	32.1
135.11633	6.3
135.29503	1.8
137.09557	1.8
137.13231	6.3
139.11154	1.3
145.10054	1.9
146.51527	1.4
147.11586	1.6
149.13223	2.3
151.03848	2.7
151.11119	8.6
157.09761	1.8
159.11597	1.6
161.09544	3.2
161.13181	1.8
163.11070	1.7
167.10670	2.0
169.05026	1.5
179.10628	6.5
197.11682	2.5
253.21573	5.6
269.22546	1.5
287.23602	3.2
305.24689	23.9
323.25714	16.5
375.67105	1.4
557.28546	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	556.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	1.1
53.71783	1.2
55.01807	6.3
55.05450	22.4
57.03378	17.5
57.07015	63.4
59.17941	1.1
67.05428	37.3
67.82228	1.3
69.06985	23.2
71.04911	3.5
71.08549	43.3
73.02820	2.1
77.67901	1.2
79.05413	35.3
81.03323	3.2
81.06968	47.8
83.04908	7.5
83.08538	27.2
85.06451	2.6
85.10106	25.2
87.04376	1.9
89.05950	23.9
91.05365	12.3
93.06975	54.2
95.04891	12.6
95.08533	89.3
97.02826	8.2
97.06454	6.4
97.10086	7.1
99.04379	5.8
105.06966	10.1
107.04891	17.0
107.08547	46.9
109.06441	1.8
109.10117	11.9
111.08029	1.8
117.06967	13.8
119.08561	15.1
121.06470	8.0
121.10102	22.7
123.11633	2.9
125.05930	3.5
129.06927	1.6
130.07777	2.2
133.08568	8.8
133.10074	2.1
135.07968	2.5
135.11656	65.4
135.76634	1.4
137.13176	1.3
139.07574	1.5
145.10095	51.4
163.11143	88.0
181.12189	11.9
227.12740	72.2
227.14577	2.1
239.23474	1.9
257.24863	2.4
283.15320	54.3
290.57236	1.5
313.27304	100.0
371.22562	7.6
437.15503	1.5
521.38300	95.7
522.38263	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	558.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04965	1.0
58.06521	1.2
60.08104	6.4
71.07294	5.4
73.29347	0.6
75.43917	0.6
76.56659	0.7
80.76399	0.7
86.09628	32.0
104.10680	100.0
111.28957	0.8
113.51773	0.9
133.99684	0.7
162.35060	0.8
212.05112	0.9
230.12025	0.8
236.13545	0.7
316.09326	0.7
407.70163	0.8
479.50961	1.0
494.85123	1.0
499.15179	1.2
499.22079	26.0
500.22409	1.6
558.29443	22.1
559.29492	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	558.324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71693	0.7
54.03401	0.5
55.05452	5.7
56.04961	1.3
57.05748	0.6
60.04448	0.7
69.06985	10.4
70.06508	11.2
72.08066	91.4
75.05516	10.3
82.06477	0.7
84.04415	3.5
84.08064	10.7
85.02770	1.0
85.43661	0.6
86.09622	90.8
87.09959	0.7
95.04887	0.7
95.08506	0.8
98.09613	2.9
106.02932	0.8
110.07143	3.5
113.10751	0.8
124.03916	1.3
126.05418	0.7
129.10194	100.0
130.10510	0.8
136.07588	1.3
140.11760	0.8
141.10156	1.4
143.10660	1.6
143.11772	43.4
151.03906	0.9
155.11694	1.5
157.09694	36.2
168.11279	1.0
169.09689	3.9
171.11211	11.4
175.10753	1.4
181.04866	0.7
183.11234	2.9
183.14896	8.3
196.10736	1.7
197.16431	13.8
211.14461	0.8
214.11845	18.7
225.15950	3.9
228.13382	4.1
232.12839	2.8
252.16994	0.8
268.16516	1.6
270.17792	0.9
271.13882	3.2
281.19608	4.7
282.18015	3.3
299.20712	17.6
312.03934	0.8
327.20203	13.3
336.58923	0.8
339.20416	0.8
345.21216	1.4
356.22906	5.3
370.20718	1.7
380.70078	0.7
381.24731	1.3
384.22305	4.1
402.23358	3.4
437.28455	1.2
455.29666	12.6
465.28134	11.0
483.29169	11.6
531.23590	0.7
540.31079	3.6
558.32343	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	559.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81548	4.0
55.05445	9.3
60.18599	4.1
61.04631	4.1
67.05431	83.0
69.06985	11.4
75.92938	3.9
78.62633	4.5
79.05405	17.6
81.06561	6.9
81.06973	100.0
83.08511	4.9
91.05392	7.6
93.06973	21.4
94.50347	4.7
95.08542	64.6
109.10091	7.7
119.08551	6.3
121.10105	5.6
126.41309	4.8
133.10115	6.7
279.23285	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	559.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06105	1.5
64.15795	1.6
88.80150	1.4
91.50986	1.5
92.10210	2.8
100.04729	1.5
135.05392	1.3
136.84450	1.5
154.59465	1.5
213.37254	1.7
232.18185	1.7
350.77386	1.8
497.99973	1.9
559.51648	100.0
560.51758	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	560.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03339	0.8
52.22552	0.9
55.05450	1.4
56.96480	6.1
60.47088	0.9
61.56760	0.9
67.05417	2.2
95.08514	1.4
98.67725	1.2
143.59247	1.2
154.94145	18.0
172.95192	68.6
190.96228	66.1
195.96779	2.2
210.96721	10.0
213.97830	1.1
228.97787	34.4
229.36722	1.2
230.99348	2.2
246.98788	7.8
307.29001	1.2
319.19278	6.6
337.20404	22.5
360.21970	1.7
417.16385	1.8
419.61978	1.4
433.50235	1.2
455.18518	11.8
473.19659	100.0
474.20038	2.0
496.20987	1.7
560.22711	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	560.311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	0.5
60.08097	8.6
71.07297	7.8
73.92492	0.6
74.88181	0.6
76.87634	0.6
77.55650	0.5
83.71140	0.5
86.09628	30.8
86.50278	0.6
92.10220	1.1
92.31319	0.6
104.10682	100.0
140.74599	0.6
162.95564	0.8
166.18431	0.7
175.04234	0.6
397.66553	0.7
471.22842	0.7
501.17978	1.0
501.23672	24.3
502.24023	1.5
534.05359	0.7
560.30969	18.2
561.31317	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	5.3
55.05437	22.4
57.03360	30.0
57.07006	74.8
58.29876	4.6
59.06031	8.5
60.05585	68.2
60.81998	4.5
67.05429	42.7
69.03336	5.7
69.06963	25.7
71.08535	24.2
76.56072	5.3
79.05399	44.8
81.06962	31.4
83.04878	9.4
83.08527	11.6
85.10079	23.4
91.05383	21.6
93.06961	64.2
95.08523	47.9
96.38235	5.0
105.06968	9.8
107.08523	33.8
109.10061	7.0
114.32681	4.8
119.08498	10.1
121.10110	61.6
124.02908	5.4
131.08522	30.8
131.85811	5.4
149.09607	25.8
149.49161	5.7
167.10553	9.2
183.02518	6.6
198.61125	5.3
248.81657	5.2
259.15176	5.6
287.14813	56.1
313.27255	100.0
525.37830	42.9
559.41370	10.2
560.41809	25.7
560.51544	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	561.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	2.8
56.04963	12.2
60.04434	2.9
68.04945	2.6
69.03342	4.8
70.02861	19.0
70.06511	65.3
71.37756	2.6
71.52879	2.5
72.08064	16.1
76.03899	6.3
80.04907	12.1
80.23952	2.8
81.03331	5.2
82.06498	6.4
83.05997	5.3
84.04425	75.8
84.08076	34.5
85.02806	5.8
86.09613	17.5
88.03919	4.2
91.05386	5.0
94.01063	3.3
94.02860	3.1
94.06521	3.1
96.04404	5.0
96.18768	3.2
97.02805	4.2
98.05971	7.0
99.05509	51.6
106.02881	6.9
107.06009	29.5
108.04409	25.1
109.07573	12.7
110.06027	5.0
110.07095	13.1
116.07021	5.1
119.04871	5.2
120.08036	7.7
124.02080	4.6
124.03896	19.3
128.17039	3.2
129.10197	15.1
130.04970	14.1
135.05521	4.5
136.02136	3.5
136.03935	31.2
136.07489	3.2
137.06975	2.9
140.01581	5.6
145.06032	41.5
149.99928	3.4
152.01566	3.3
153.06561	51.6
155.08156	12.7
156.46135	3.2
164.01634	7.0
166.03214	4.2
166.98564	7.2
167.00420	3.1
169.97392	3.5
175.03645	3.8
179.00359	4.7
180.01173	22.8
181.06102	5.2
182.98024	4.2
192.01013	3.4
194.02672	13.1
194.98067	30.3
195.02213	3.7
197.96686	4.1
199.07112	41.8
205.02032	3.4
206.98071	4.6
207.98912	4.0
208.00607	30.4
209.01344	4.4
210.00331	25.6
210.02190	21.8
210.04568	13.7
210.97440	3.6
211.07036	7.6
211.98361	6.6
212.99086	13.9
219.02165	40.9
220.03000	14.3
221.99152	3.9
222.97533	27.7
222.99724	8.0
223.03006	5.1
224.03796	20.1
225.04544	27.0
228.01431	7.2
228.98677	4.8
232.00699	3.7
233.03658	4.2
234.04491	7.4
234.95366	3.4
234.97510	22.0
234.99753	4.6
237.99814	50.2
239.97836	4.6
240.98586	20.8
241.99274	11.6
244.00911	18.2
249.98549	20.7
250.99327	24.7
252.00165	37.5
252.98586	17.2
253.99153	7.0
256.00922	100.0
258.02591	5.4
265.00928	70.8
266.01712	38.6
267.02496	67.7
268.00897	24.0
365.10617	5.3
368.03598	89.1
369.04214	7.4
383.03748	5.0
400.06369	12.3
442.07510	5.6
454.07196	6.2
472.75882	3.5
492.65775	3.3
529.10522	35.1
560.30701	4.1
561.21216	18.5
561.32275	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	0.9
57.07001	4.0
64.54314	0.9
66.21198	0.9
69.07002	1.1
71.08540	1.8
81.06997	1.7
95.08534	1.4
195.78062	1.0
249.10912	16.4
287.87384	1.1
305.13498	7.3
313.27216	1.6
353.65878	1.1
561.37469	100.0
562.37842	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	562.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	2.0
69.03356	4.6
79.05402	1.1
81.06991	1.1
83.04903	5.9
85.02869	1.8
91.05410	9.4
92.10941	0.9
93.93373	0.8
95.04862	1.3
95.08536	1.1
100.19076	0.9
105.07000	1.4
107.08549	5.6
108.08860	1.2
110.14427	1.0
111.04401	1.4
117.06973	1.5
119.08533	100.0
120.08895	1.3
133.06464	13.0
135.08046	1.9
206.47118	1.0
263.12756	1.8
531.27173	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	562.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	30.5
57.03371	5.2
57.07009	15.2
58.50845	3.1
61.02832	4.6
61.46947	3.2
65.57446	3.3
66.53712	3.1
67.05431	91.5
69.06989	37.0
71.08531	5.0
79.05412	23.4
81.06981	99.6
83.08539	27.0
85.02814	3.9
86.09631	14.6
91.03902	4.6
91.05399	16.1
93.06982	23.5
95.08533	100.0
95.13555	3.6
97.06456	5.8
97.10109	8.9
105.06935	7.6
107.08516	27.2
109.10093	37.4
111.11713	5.2
111.95328	3.2
119.08524	7.5
121.10119	24.5
123.11664	19.4
124.99992	6.6
133.10097	7.2
135.11678	13.4
137.13202	3.8
149.30145	3.4
161.13252	4.9
163.14900	4.5
184.07336	16.4
273.25830	21.7
291.26752	57.2
365.30472	29.9
525.54541	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41521	0.7
56.96494	3.3
57.03355	0.9
57.06990	1.1
59.94720	0.6
67.05415	0.8
69.07001	0.8
75.09290	0.8
81.06977	1.4
84.87936	0.7
93.06944	1.1
95.08543	1.4
102.92534	1.9
109.10063	1.0
116.07047	0.9
118.52736	0.7
123.88712	0.9
132.05890	0.7
136.93108	4.4
145.06512	1.5
149.01228	1.6
154.94142	19.1
172.95198	100.0
174.95682	0.7
190.96246	91.9
195.96841	4.2
198.96802	0.8
208.97304	1.6
210.96745	11.3
212.98358	1.2
213.97823	3.1
228.97798	41.6
233.98459	1.2
234.81963	0.8
246.98851	22.8
285.00388	1.3
303.01523	1.8
313.20346	1.2
331.21484	6.0
341.15558	0.8
393.17014	5.7
411.18079	1.8
431.18774	1.4
449.19690	20.6
467.20566	9.9
490.22656	1.2
523.23322	58.2
564.25989	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54980	0.7
55.05450	1.3
62.21958	0.9
70.76606	1.0
71.07309	0.9
79.05409	1.6
83.04897	1.9
86.09601	3.8
91.05396	1.6
95.08508	1.3
99.04330	1.2
105.06972	10.3
107.08533	7.2
111.04364	1.7
119.07777	1.3
119.08548	25.3
123.08009	6.2
133.06462	100.0
133.07491	6.2
134.06786	1.4
135.08022	1.5
160.59297	1.0
170.88077	0.9
172.59486	0.9
184.07224	1.4
201.27467	0.9
223.08125	0.8
245.53488	1.2
274.62607	0.9
279.12131	6.8
292.18665	1.0
316.51025	0.9
331.60352	1.0
367.23209	0.9
367.28943	1.0
413.19333	4.4
474.48917	1.0
513.43878	1.0
563.34436	1.1
564.35327	1.8
585.38434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89214	5.2
54.55112	5.0
55.05453	90.5
56.33709	5.2
57.03360	7.0
57.07013	52.4
61.02845	7.3
63.16529	6.0
66.45476	6.7
67.05424	79.8
69.06985	100.0
71.08529	32.5
75.34219	7.1
75.44218	6.0
79.05395	44.6
81.06976	86.4
83.08543	67.3
85.02799	9.0
88.03915	10.0
91.05402	7.9
93.06949	39.2
95.08531	75.3
97.06449	7.4
97.10085	44.4
98.98190	6.0
105.58668	6.9
107.08504	26.3
109.10107	36.0
111.11660	14.5
121.10102	56.3
123.11671	10.5
135.11658	26.2
149.13234	10.4
169.67133	6.6
275.27234	32.2
293.28397	63.5
363.67310	7.3
367.32098	84.7
385.32950	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	9.5
57.03361	1.5
60.50846	1.3
61.02855	1.9
81.03308	1.7
85.02805	2.7
85.83130	1.5
93.03355	1.6
103.03830	1.7
107.04920	1.8
109.02813	2.4
111.94219	1.8
119.04884	14.8
121.02808	65.1
134.82474	1.6
135.04395	3.3
139.59050	1.4
145.02844	7.9
147.04324	1.7
159.04385	2.0
163.03897	2.0
175.03807	2.2
177.01839	1.8
179.03366	3.3
187.03848	3.3
189.01797	7.5
190.02432	1.7
191.03319	8.1
195.02867	15.0
197.04391	2.0
199.03851	2.1
201.05431	2.7
203.03369	24.6
205.04976	2.8
207.02756	11.7
209.04327	1.9
215.03343	7.3
217.04884	15.3
219.02826	6.5
220.89561	1.7
221.04327	12.0
227.03374	2.7
229.04868	2.4
231.02863	2.4
233.04375	8.8
241.04816	2.3
243.02759	2.7
245.04449	7.0
255.02824	1.8
261.03784	2.4
268.07388	3.1
273.03680	2.0
279.06665	2.7
280.07184	1.8
281.07977	7.0
283.05988	9.2
292.07062	2.9
293.08017	7.4
294.05151	18.1
295.05948	100.0
296.06494	8.1
297.07538	10.5
298.08652	1.8
305.08090	3.6
306.08661	6.4
307.05984	55.3
307.09372	4.3
308.06735	24.3
309.07455	26.6
317.07883	7.2
319.05905	7.3
320.06839	11.7
321.03894	3.1
321.07495	68.9
322.08102	11.7
323.05438	3.0
323.08997	7.4
325.06998	66.1
329.07965	6.2
331.05862	2.1
333.07510	35.2
334.08032	9.2
335.05508	3.4
335.09085	33.1
336.06015	2.9
337.06958	55.9
339.08502	6.2
345.07474	18.7
347.09015	10.7
349.06955	54.9
349.10526	2.4
351.08438	25.8
355.08212	3.7
359.09375	1.8
361.06931	31.6
361.10818	3.0
362.07364	1.8
363.08575	27.2
367.08102	11.7
371.09174	2.7
373.06989	18.1
375.08542	16.8
379.08005	55.0
387.08493	15.1
391.08047	53.8
397.08981	2.0
401.10092	4.1
403.07974	16.3
405.09528	2.2
409.09052	52.3
415.07858	14.6
417.09418	3.2
421.08881	3.9
427.10110	73.1
429.09753	3.2
433.08862	17.5
439.09906	3.0
445.09262	11.6
457.10446	7.8
463.09949	10.1
475.10840	9.1
481.11200	31.3
493.11081	12.5
499.12125	30.2
511.12286	70.5
529.13275	51.1
547.14209	27.6
563.36597	1.9
565.15619	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	565.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62106	1.6
55.01804	2.1
60.33511	1.5
61.02870	1.8
70.44304	1.7
85.02820	7.7
86.44991	1.6
90.70605	1.9
94.25539	2.0
101.83443	2.1
102.48897	2.0
119.04875	15.4
120.36470	1.8
121.02816	41.2
144.83202	2.2
145.02802	3.1
147.04407	2.8
185.05937	2.3
187.03891	4.4
189.01787	10.1
191.03343	7.1
194.02034	2.0
195.02850	12.0
199.03760	2.2
203.03404	20.9
205.04703	2.8
207.02840	11.0
215.03334	6.7
217.04884	8.4
219.02856	4.0
221.04495	7.5
229.16966	2.1
233.04454	2.8
245.04532	3.1
255.02679	2.4
267.06363	2.7
268.07260	3.4
273.03696	2.1
279.06448	7.7
281.07874	3.4
283.05862	8.8
293.08069	7.2
294.05246	17.0
295.05972	100.0
295.09216	3.3
297.07474	8.4
307.05942	56.7
308.06683	14.4
309.07526	20.7
313.07056	3.9
319.05881	4.2
320.06711	7.6
321.07498	57.1
322.08182	9.1
323.05310	3.0
323.09070	3.9
325.07001	68.7
333.07446	27.1
335.09158	22.9
337.06967	48.8
345.07501	7.2
347.09137	11.5
349.07028	56.7
349.10745	3.2
351.08496	20.9
355.08109	4.5
361.06946	31.4
363.08746	17.6
365.10101	10.5
367.08047	7.5
373.06793	8.6
375.08643	12.7
379.08032	69.7
387.08539	9.5
389.10541	2.4
391.07968	36.3
397.09128	14.4
403.07944	21.0
405.09549	7.9
409.09128	29.8
415.09332	9.2
421.09039	9.5
427.10211	32.7
433.09094	20.3
439.09854	8.4
445.10480	8.8
447.10742	2.2
451.10071	12.3
457.11093	15.1
463.09689	4.1
469.11270	28.8
475.10394	9.0
481.11133	19.6
493.11050	14.1
499.12262	24.4
506.97266	2.0
507.05035	2.4
511.12277	40.3
529.13458	29.1
547.14270	18.1
565.15143	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	565.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81777	0.3
65.94551	0.3
69.03294	0.3
70.06514	0.4
74.02361	0.7
91.05399	0.7
93.13529	0.3
115.05425	1.3
117.05674	0.5
117.06963	2.0
118.06496	24.0
124.03927	0.5
130.06494	5.0
132.08058	7.6
142.06506	2.2
143.07286	4.2
144.04454	1.3
144.08069	19.7
144.75401	0.4
146.05989	90.4
146.40149	0.3
147.06319	2.5
155.43416	0.3
157.07564	2.8
159.09146	8.1
160.07570	1.2
170.05957	7.3
177.99164	0.3
188.07030	100.0
189.07347	3.5
205.09691	25.2
245.10915	0.4
254.09514	0.5
256.09848	1.8
257.10635	1.4
261.05432	0.4
269.10681	4.3
269.85565	0.3
270.11395	2.0
271.12274	3.3
280.09952	0.4
281.10617	1.8
282.11462	5.9
283.12207	0.8
285.10181	0.6
309.10199	0.6
327.11249	4.4
344.13892	3.0
361.16315	1.6
574.06378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01538	0.5
54.81254	0.7
56.96486	1.0
57.07020	0.6
58.06506	0.6
60.07862	0.7
60.08102	8.8
62.19783	0.5
71.07294	4.6
71.08535	0.9
81.06995	0.6
85.10142	0.7
86.09629	20.1
95.08531	0.7
102.92520	1.2
104.10684	100.0
115.38627	0.7
119.08486	0.8
143.08440	0.8
154.94147	0.9
172.95222	10.8
180.95685	4.2
190.96222	8.9
198.96765	32.9
210.96732	1.3
216.97827	45.7
221.98311	1.0
228.97818	5.9
234.98805	1.2
239.99382	1.2
254.99562	1.0
303.18457	2.6
409.16492	3.4
421.16492	2.8
439.17096	0.7
447.18201	1.1
450.22742	3.7
450.29330	0.6
506.25290	6.1
566.27374	16.2
566.35284	1.3
567.27209	0.9
594.98187	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3814
Annotation	1,2-Didecanoyl PC
Peak:m/z	Relative Intensity
53.79115	0.5
55.23008	0.5
57.07008	0.7
57.58538	0.5
60.08095	9.4
63.27262	0.5
66.31995	0.5
67.05396	1.2
67.32890	0.5
71.07306	4.4
81.06972	0.6
86.09629	54.9
92.10948	0.6
98.98392	3.2
103.15214	0.7
104.10655	1.2
104.21776	0.5
109.10051	0.7
114.37617	0.7
119.08495	1.0
124.99965	39.9
143.00977	0.8
160.86374	0.6
184.07310	100.0
185.07567	0.7
363.56808	0.6
431.73407	0.7
452.69153	0.7
522.36169	0.6
543.58502	0.6
566.37805	7.5
590.59259	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	2.4
55.01810	3.5
55.05452	17.8
57.03364	11.2
57.07003	3.4
61.02849	4.5
67.05428	21.3
69.03358	23.4
69.06982	13.3
70.06518	23.2
71.04894	11.2
73.02821	13.0
79.05396	14.3
81.03342	9.9
81.06967	38.9
82.72942	2.1
83.04903	34.3
83.08531	12.7
84.04427	10.2
84.08063	9.0
85.02359	2.0
85.02835	54.2
91.05407	22.9
93.06972	30.9
95.04902	69.0
95.08546	24.8
97.02817	21.1
97.06447	22.4
99.04375	12.9
99.08015	2.5
100.82480	2.0
105.06985	39.9
107.07863	3.4
107.08540	56.6
109.02812	5.4
109.06476	46.2
109.10109	54.9
110.07105	4.2
111.08044	10.4
113.09536	2.6
115.07490	3.8
117.06998	3.8
119.04896	2.2
119.08530	29.3
121.06451	2.9
121.10095	43.5
123.08015	9.0
123.11647	16.8
124.44434	2.6
125.09563	8.7
127.03866	15.7
131.08534	34.4
133.10098	100.0
135.08011	13.2
135.11638	23.1
139.11140	3.3
140.04669	18.4
141.80978	2.3
143.08495	5.3
144.09372	2.8
145.04927	8.5
145.10136	24.5
147.11668	34.7
149.09608	2.8
149.13254	22.3
151.11136	5.4
153.09137	22.4
155.07013	18.1
158.10887	14.6
163.14761	12.1
163.73074	2.3
165.12733	2.7
167.14259	8.5
173.13216	70.6
175.14771	16.0
181.04918	30.2
182.27623	2.1
191.14282	46.9
209.08058	8.4
209.15327	73.0
227.09100	30.0
227.16360	40.8
261.89487	2.4
299.19257	2.2
335.04901	2.4
413.02863	2.9
531.13458	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	569.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08909	0.9
53.40263	1.2
56.77874	1.0
67.52141	1.2
95.08543	1.3
111.65768	1.4
115.45300	1.1
137.56676	1.2
187.63702	1.2
503.95456	1.2
538.92047	1.5
569.22949	100.0
569.37048	2.4
570.23450	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	569.3334
Annotation	PF1070A
Peak:m/z	Relative Intensity
53.43274	0.3
56.04959	0.5
58.06273	0.3
58.06535	5.6
63.02290	0.5
70.06512	9.6
72.08064	4.5
79.05383	0.6
84.04392	2.0
84.08064	22.4
85.02830	1.0
85.08371	0.3
86.09611	1.3
89.03371	0.5
89.03841	7.4
91.05389	1.5
93.06969	0.4
95.04900	0.5
97.02802	0.5
98.09059	0.4
98.09624	8.4
100.07542	3.3
103.05408	1.2
105.03288	0.4
105.06968	2.1
106.02822	0.3
107.04881	0.7
110.07130	0.6
110.09621	0.8
112.11189	53.4
113.07078	3.8
113.11536	1.3
117.03327	28.2
117.23817	0.3
119.04905	1.2
120.05691	0.4
120.08077	0.4
124.03915	1.4
127.03821	0.4
129.10214	0.7
129.13837	31.9
130.30933	0.3
132.05672	1.5
133.02802	0.5
133.06435	0.6
134.03572	1.4
135.04401	2.4
145.02823	100.0
146.03197	1.7
147.04395	0.8
148.05167	4.6
149.05960	10.3
151.03938	0.3
151.07510	11.1
155.11765	14.4
160.05136	2.5
161.05925	0.4
163.03816	0.7
163.07501	17.0
176.04741	2.4
177.05431	94.1
178.05768	2.5
186.05487	1.5
190.08571	0.7
191.06996	96.3
192.07347	3.0
202.08321	0.3
212.17517	0.8
214.19112	0.6
221.92949	0.3
229.20091	2.3
231.11278	1.5
232.11975	0.6
234.11218	11.4
235.11676	0.4
247.14381	7.8
248.12755	30.3
249.13075	1.1
250.14325	0.4
255.42630	0.4
305.18451	4.0
319.20081	11.4
320.20490	0.3
331.16296	0.4
375.27594	0.7
376.22522	0.5
390.23935	3.2
393.28494	3.0
405.24899	3.3
483.45401	0.3
495.25113	0.5
552.30457	0.5
569.33234	95.3
570.33643	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	573.303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80802	0.8
53.00257	0.8
55.01818	0.9
55.05449	6.3
55.42564	0.9
56.62170	0.8
57.03378	11.1
57.06738	1.7
57.07014	46.3
67.05436	9.3
69.06984	8.8
71.08186	1.5
71.08549	31.9
79.05417	1.3
81.03336	5.6
81.06977	12.7
83.08536	5.5
85.02860	1.3
85.10108	14.1
87.34209	0.9
87.84885	0.9
89.90210	0.8
91.59538	1.0
93.06950	1.0
95.08527	16.8
97.10083	5.5
98.98399	47.8
109.02847	5.7
109.10107	9.1
116.99448	1.8
123.11664	2.1
137.13176	1.0
146.49055	1.0
152.00966	1.0
155.01010	21.0
160.50845	1.0
170.28346	1.0
213.00157	1.3
214.00104	1.2
239.23637	1.9
261.03604	1.5
313.27322	100.0
314.27585	4.5
385.09265	1.1
393.23965	4.1
537.27838	1.2
558.68103	1.3
596.64893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01800	2.1
55.05453	12.6
57.03365	7.1
57.06741	2.9
57.07013	79.4
66.11146	1.9
67.05426	19.4
69.06982	13.1
71.08546	53.9
72.08049	4.2
79.50948	1.6
79.66608	1.6
81.06977	29.1
83.08537	25.2
85.02829	2.4
85.10104	30.9
90.09114	2.5
95.07961	2.2
95.08539	41.8
97.02879	1.9
97.10091	7.6
98.98421	2.3
99.04347	2.3
99.11658	1.6
100.22798	1.7
105.06963	1.6
107.19510	1.8
109.02834	3.4
109.10106	16.0
110.03622	2.0
111.04384	2.0
111.11649	2.2
123.11669	3.8
127.03883	3.7
127.77375	1.6
137.13332	1.9
151.14758	2.3
227.12683	2.3
239.23625	26.8
257.24655	3.8
257.96957	1.8
313.27322	100.0
314.27554	2.5
331.28400	18.9
367.01636	2.0
539.28516	2.4
562.99353	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	574.431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67514	6.7
55.01804	33.7
55.05456	15.0
56.71928	6.4
57.03370	40.9
57.07010	65.6
58.49080	6.1
67.05190	6.0
67.05433	100.0
69.06982	40.6
71.04931	9.4
71.08543	41.7
76.34523	7.7
77.33864	7.6
79.05414	77.8
81.03336	10.8
81.06973	91.1
83.04901	51.4
83.08536	9.4
91.05413	34.9
93.06996	62.0
95.04897	44.5
95.08550	53.3
97.06451	19.3
103.38037	7.3
104.27550	9.3
105.06973	17.5
107.04909	57.8
107.08527	51.9
109.10107	19.3
111.04387	58.8
117.07015	17.5
119.08539	20.0
121.10108	80.9
126.22470	7.7
131.08531	11.5
131.96463	8.2
131.97606	7.6
135.11658	59.9
141.01657	8.8
145.06514	11.9
145.10100	61.3
153.12726	35.2
155.08504	10.4
163.11118	59.8
173.09590	44.5
181.12210	41.8
191.10670	47.9
227.13046	8.6
265.14352	62.0
283.15311	84.8
301.16376	76.5
313.27371	87.9
330.47134	7.8
378.41266	9.3
502.69846	8.2
521.38116	34.5
539.39056	49.0
574.41180	11.3
575.41089	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	574.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67244	1.5
55.01803	8.0
55.05456	17.1
57.03379	20.7
57.06733	2.5
57.07016	69.5
64.32967	1.4
67.05431	37.6
68.32764	1.4
69.03370	2.4
69.06989	36.9
71.01263	2.0
71.04910	3.9
71.08552	45.3
76.83948	1.8
79.05405	44.5
81.06979	49.2
83.04911	18.8
83.08543	16.3
85.06426	1.5
85.10106	23.5
87.44740	1.6
89.02328	2.6
89.05943	2.1
91.05380	11.5
93.06973	55.6
93.07519	3.3
95.04893	4.1
95.08540	44.8
97.06473	10.3
97.10066	3.2
99.04407	3.9
105.06950	7.7
107.04893	6.4
107.08518	21.5
109.10098	13.4
111.04387	23.4
111.08012	6.9
111.11677	12.6
117.06944	3.5
119.08528	17.0
121.06499	6.6
121.10104	96.4
123.11688	2.9
125.05968	4.0
131.08543	10.0
135.11696	26.5
137.13338	1.9
137.20032	1.8
139.07491	2.2
139.11172	31.8
145.10115	22.4
149.09576	8.2
153.12706	9.1
163.11163	37.2
173.09717	1.8
181.12215	18.0
185.11765	6.9
191.10603	10.1
211.53590	1.6
227.12744	18.2
239.23653	2.3
245.13779	32.0
256.26492	2.2
256.33597	1.7
283.15347	8.9
301.16397	63.8
304.39816	1.7
313.23627	3.6
313.27307	100.0
314.27411	3.2
539.39380	73.2
562.41400	1.9
574.40869	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	574.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	1.4
53.03883	1.5
55.01815	20.1
55.05446	19.4
57.03375	28.3
57.06732	2.4
57.07014	70.6
67.05428	62.7
69.06993	30.3
71.01280	2.0
71.04916	8.7
71.08547	49.1
73.02821	1.8
75.04395	1.8
79.05417	40.4
81.06979	55.0
83.04897	51.0
83.08548	20.7
85.02831	1.9
85.06487	2.0
85.10110	19.5
89.05992	2.6
91.05417	14.0
93.06969	48.3
95.04883	10.6
95.08536	48.6
97.06475	14.9
97.10110	8.0
99.04390	8.8
99.08028	2.9
101.02348	1.6
105.06971	10.8
107.04900	8.8
107.08530	28.6
109.10113	28.9
111.04390	92.6
111.08031	23.5
111.11701	2.8
117.06966	5.6
119.08527	17.3
121.06477	7.6
121.10097	60.0
121.10925	2.9
123.11668	2.9
125.05964	7.0
125.44312	1.4
129.05467	2.0
129.06973	2.4
131.08545	14.0
133.10127	2.2
135.08058	1.7
135.11653	35.8
139.11186	14.8
145.10100	33.1
147.11699	2.5
149.09618	7.0
150.12680	1.4
153.12717	41.7
153.13849	2.6
155.08522	3.2
161.13371	2.1
163.11139	65.0
167.10612	1.6
173.09651	10.3
181.12209	55.8
185.11639	2.1
191.10648	39.8
209.11827	6.2
227.12744	41.9
245.13802	16.6
256.26306	2.4
257.24594	2.4
283.15359	59.6
301.16428	54.8
313.27328	96.1
521.37958	3.2
539.39349	100.0
540.39532	3.5
575.39551	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	576.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	1.7
55.05455	2.8
56.47294	0.9
57.03360	1.5
61.02855	1.4
63.16937	1.1
67.90160	1.1
69.03349	14.8
70.06504	8.3
71.04901	6.1
73.02824	4.7
73.06465	17.3
81.03339	17.3
84.04421	4.6
85.02827	73.0
96.04434	1.1
97.02816	29.0
99.04387	49.0
101.05941	6.0
103.03880	95.5
109.02831	18.5
110.07091	2.4
114.37849	1.3
124.03905	1.3
127.03878	100.0
128.04211	2.0
136.06126	6.4
144.08008	1.8
145.04947	28.7
151.03897	6.1
163.06001	22.4
169.07616	1.3
185.07986	1.9
187.05994	2.1
199.09633	1.3
235.11755	2.6
259.11688	13.9
271.08081	5.4
289.09241	5.1
307.10236	8.2
317.16098	1.5
326.76636	1.4
343.13940	1.6
361.14990	9.1
379.15872	16.2
384.45581	1.4
386.26208	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00975	0.3
54.82089	0.5
55.05433	0.6
56.96495	5.8
57.07040	0.4
60.71321	0.4
67.05414	0.6
69.07011	0.3
71.08519	0.3
74.97543	0.4
80.77132	0.4
84.03978	0.4
85.77431	0.4
102.92531	2.8
105.48770	0.4
121.98633	0.3
136.93036	3.2
145.02852	0.4
146.99619	0.7
148.93839	0.4
149.02332	8.4
149.61984	0.4
154.94125	13.6
154.95335	0.7
161.01280	0.4
165.69449	0.5
172.95186	57.5
177.05515	0.4
179.97318	0.5
190.96239	54.1
192.95694	0.5
193.04970	4.7
195.96741	2.8
197.98352	6.5
208.97313	0.9
210.96732	9.6
212.98364	0.5
213.97862	2.5
215.99419	7.1
216.97748	0.5
228.97797	31.3
230.99406	2.1
233.98289	0.7
239.09697	0.5
246.98859	6.5
251.99352	2.1
311.95987	0.4
317.17758	0.4
319.19281	5.9
324.21085	0.4
335.18912	2.4
337.20410	24.6
338.20847	1.5
355.21548	2.2
360.22189	1.8
399.15967	2.5
417.17087	2.3
434.88159	0.4
455.18478	12.2
473.19659	100.0
474.20096	6.0
496.21130	3.1
516.23920	6.4
577.13220	3.5
582.45007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77396	0.3
56.96497	5.1
57.07013	0.5
59.50892	0.3
60.35869	0.3
65.03864	0.3
67.05404	0.6
72.53701	0.3
72.95986	0.4
76.10582	0.3
92.10897	2.2
97.10131	0.5
102.92542	2.7
120.93613	0.4
136.93045	3.5
146.99643	0.7
149.02325	2.4
154.94144	13.6
154.95340	0.7
162.76909	0.4
171.96255	0.4
172.95200	62.8
177.05376	0.4
179.97260	0.5
187.63890	0.4
190.96251	55.1
192.95593	0.9
193.04955	1.6
195.96770	2.9
197.98332	5.9
198.96840	0.7
208.97438	1.6
210.96745	10.9
212.98332	1.6
213.97714	0.5
215.99405	7.5
228.97804	35.7
230.99338	2.7
246.98837	7.0
251.99506	0.5
279.81918	0.4
317.17871	0.5
319.19357	8.5
327.72873	0.5
335.18890	2.0
337.20407	24.6
338.20703	0.6
355.21533	1.5
360.22037	0.7
388.85733	0.5
399.15927	2.4
417.17322	1.8
455.18491	11.5
473.19684	100.0
474.20212	4.6
496.21463	3.0
516.23901	5.5
533.00513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	1.1
67.05423	1.2
69.03345	5.4
69.06966	0.5
71.04903	0.7
74.74047	0.4
79.05421	0.7
81.03316	0.7
81.06944	0.6
83.04919	4.2
85.02826	2.8
85.17085	0.6
91.05403	5.9
93.06963	1.2
104.06175	0.7
105.06973	1.3
107.08547	5.6
111.04391	2.2
117.06961	0.7
119.08537	100.0
120.08854	0.8
130.40269	0.5
133.06458	10.9
135.08000	3.1
145.10030	0.6
176.71924	0.6
183.69705	0.5
235.14569	1.0
263.12781	4.4
397.19980	1.3
531.27228	4.6
575.39838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	5.9
54.12082	1.0
54.38053	1.4
55.01815	2.3
55.05457	2.3
57.03361	7.2
61.02847	6.8
69.03348	25.4
70.06506	35.3
71.04910	3.4
72.08052	6.3
73.02818	7.1
78.03370	3.0
80.04945	1.3
81.03343	31.8
84.04424	5.7
84.08075	8.2
85.02825	85.5
86.09618	2.3
87.04401	2.3
91.03898	1.8
92.04916	3.3
95.04899	1.6
96.04419	5.1
97.02819	39.1
98.59701	1.4
99.04385	46.1
103.03242	2.1
103.03876	47.2
106.02869	24.6
106.06527	10.2
109.02829	27.0
109.05214	7.3
110.05238	1.8
110.05994	44.5
110.07141	6.5
111.04358	1.6
115.24039	1.4
116.07054	1.5
120.04408	2.0
120.08113	1.9
121.72205	1.3
121.98688	1.7
122.05986	6.1
124.03913	100.0
127.03873	73.9
129.10197	2.7
134.06007	16.0
136.07579	3.0
140.75092	1.5
144.08054	2.0
145.04961	16.5
146.05962	2.9
148.07509	2.1
152.07060	14.9
161.02681	1.5
163.05954	7.0
172.07538	13.8
176.07089	3.1
187.05989	1.7
200.07033	20.1
201.13171	1.6
218.08017	6.4
236.09155	2.4
250.07047	3.1
254.10172	2.4
268.08096	40.3
271.08063	6.3
289.09180	2.5
319.75507	1.3
380.13086	4.2
398.14398	13.6
416.15396	15.7
444.00616	1.6
499.51062	1.7
558.46326	1.9
560.19727	1.8
578.20178	1.9
607.52551	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	578.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	1.4
56.04986	1.3
56.96500	2.6
60.08093	6.8
67.05414	1.6
67.33524	1.4
71.07300	5.9
72.90897	1.3
79.05409	1.5
81.06988	1.3
86.09639	20.5
96.06387	1.2
98.95086	1.3
104.10682	100.0
108.26865	1.3
113.67848	1.3
115.64931	1.3
117.03346	5.1
120.27282	1.3
126.19395	1.4
129.34535	1.5
136.93092	1.3
145.02847	12.0
149.05937	1.3
154.94133	1.3
154.99837	1.5
172.95195	11.0
177.05424	15.4
187.43895	1.3
190.96196	11.6
198.96750	35.1
198.98544	1.5
210.96765	2.1
216.97824	44.1
228.97787	3.2
254.99268	1.5
297.17285	5.3
315.18195	2.6
328.83655	1.3
346.82019	1.5
403.15579	1.8
433.16370	2.4
459.18246	2.1
462.22824	3.1
518.25214	10.4
578.27350	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	579.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	3.2
55.83111	3.2
56.04972	5.7
56.53041	3.3
57.03358	6.5
60.04470	3.5
65.42929	3.2
69.03334	46.9
70.06136	4.6
70.06506	85.0
71.04898	8.9
72.08085	5.9
73.08434	3.8
74.05977	7.4
81.03330	8.7
84.04436	33.5
84.08072	42.4
85.02826	39.7
86.09646	11.3
91.05370	7.5
93.04479	3.4
97.02805	9.2
102.05496	5.7
106.02820	3.4
107.04862	4.1
109.02808	8.2
110.07095	24.7
111.04425	4.5
117.06888	4.4
119.04871	7.2
120.08050	5.8
121.02802	31.4
123.04386	6.8
124.03893	16.7
125.05939	15.5
127.03871	5.9
129.10178	21.8
136.07538	5.5
145.02808	8.6
145.06480	13.3
147.04417	5.4
151.03874	6.6
153.05411	16.9
154.06160	4.3
163.03844	4.2
167.07002	100.0
173.05904	7.9
181.04883	18.5
185.08051	15.0
191.03354	5.0
203.03310	4.9
207.02838	5.9
221.04401	5.8
227.43880	3.5
294.05084	18.1
295.05905	31.2
297.07559	6.8
307.06030	28.0
308.06793	12.9
309.07535	8.4
312.32831	3.9
321.07440	18.6
322.08185	3.9
325.06876	14.4
335.09109	7.2
337.06995	29.4
347.08926	5.7
349.06796	15.7
351.08557	8.8
359.08932	4.5
375.08444	15.6
379.07901	14.9
387.08655	6.6
387.14355	4.7
391.07632	5.2
405.09512	18.3
423.10547	22.7
441.11420	9.0
481.11136	4.3
499.12039	5.6
525.13623	35.0
543.14746	22.3
579.20319	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1706
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
56.04955	0.1
57.03360	0.4
64.33757	0.1
67.01786	0.4
68.99692	0.1
69.43252	0.1
70.06505	0.3
71.04908	3.1
75.04392	0.1
83.04893	0.1
85.02336	0.1
85.02825	3.3
91.05412	0.1
92.10806	0.1
98.66227	0.1
99.79929	0.1
111.04411	0.1
119.04900	1.7
121.02820	0.6
129.05428	0.4
141.21704	0.1
145.02821	0.6
153.01801	4.0
163.03851	0.4
171.02823	0.9
203.07069	0.1
204.30336	0.1
225.05434	0.4
229.04881	0.1
271.05954	100.0
272.06268	3.0
276.10468	0.1
433.11206	9.6
434.11655	0.3
571.11603	0.1
579.16962	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	579.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78444	0.4
55.05442	0.5
57.03349	0.7
57.07018	4.5
64.30564	0.5
67.05413	0.7
69.06986	1.3
71.08537	2.6
80.28770	0.6
83.08546	0.7
84.85991	0.6
85.10081	0.8
95.08523	1.2
104.26018	0.6
109.10088	0.8
134.76883	0.6
149.98999	0.7
230.12064	0.6
267.11987	16.7
313.27350	1.2
323.14499	4.2
359.18597	0.7
448.18066	0.8
579.38513	100.0
580.38831	3.4
601.67560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1503
Annotation	Carlinoside
Peak:m/z	Relative Intensity
55.01816	4.9
55.57378	0.6
56.04969	0.8
57.03373	2.7
57.29820	0.6
61.02845	3.5
66.59992	0.7
69.03340	1.3
70.06511	16.7
81.03333	2.8
83.06048	1.0
84.04436	6.2
84.08041	0.7
85.02826	7.9
86.09631	4.5
88.03909	1.5
93.03329	1.3
95.04879	0.7
97.02831	2.4
101.07051	0.7
105.03305	0.8
106.02860	0.8
107.04887	3.1
109.02837	3.6
110.07137	7.8
112.08661	2.9
115.08642	1.1
119.04886	0.9
121.02790	4.1
124.03882	2.8
127.03883	1.0
129.10194	0.7
130.04993	0.7
131.04935	1.0
133.06467	0.7
135.04385	10.7
136.07574	0.8
137.02319	41.9
137.03374	2.3
143.04808	0.8
147.04376	1.2
149.05952	1.0
151.03871	1.2
159.04405	1.3
161.02354	6.7
163.03850	2.7
165.01700	0.8
171.04337	0.9
173.05930	1.0
175.03847	2.8
177.01805	1.5
177.05458	1.1
179.03348	4.3
181.04897	1.2
183.02820	0.6
185.05803	0.8
187.03900	3.0
189.01805	9.0
189.05408	1.2
191.03325	7.1
193.05009	1.3
194.02138	1.1
195.02888	13.3
196.14502	0.7
197.04340	1.1
197.05984	0.8
197.12856	1.0
199.03853	1.5
201.05453	2.4
203.03368	17.5
205.04884	4.0
207.02884	16.8
208.03658	1.0
209.04344	1.5
211.04027	1.0
213.05403	1.2
215.03421	7.2
217.04996	7.0
219.02847	8.1
219.06355	1.3
221.04405	8.7
225.03732	1.5
227.03413	1.7
229.04959	4.3
231.02792	2.9
233.04366	5.8
235.05902	1.2
238.65736	1.2
241.04897	3.3
243.02733	0.8
243.06514	1.5
245.04376	4.3
254.16043	1.3
255.02885	3.3
255.06456	1.3
255.75844	0.9
257.04340	3.0
261.03903	0.8
267.06519	1.2
269.04425	3.0
271.05914	1.1
273.03903	3.2
279.06390	0.9
281.04449	1.3
283.05939	4.3
284.06711	3.9
285.03900	1.6
293.04285	0.9
295.05862	5.1
296.06763	4.8
297.07489	5.8
299.05389	10.4
307.05975	1.6
308.06619	1.2
309.04242	0.8
309.07404	5.2
310.04669	24.0
310.08096	2.5
311.05450	100.0
312.06140	10.2
313.03516	1.3
313.06918	10.8
314.07660	1.2
321.07544	2.9
322.08298	0.9
323.05447	64.4
323.08759	2.7
324.06210	19.0
324.09927	1.1
325.03433	1.6
325.06998	21.1
326.07813	1.0
329.06461	5.8
333.07361	5.9
335.05399	7.6
335.09064	1.6
336.06192	6.4
336.95639	0.9
337.07022	47.6
338.04266	0.9
338.07828	12.0
339.04865	3.2
339.08517	7.1
341.06497	71.2
342.06860	1.2
345.07358	2.9
347.05206	0.8
347.09158	1.0
349.06998	22.1
350.07574	2.9
351.04968	2.1
351.08661	17.7
352.05634	3.9
353.06476	55.3
354.06973	1.1
355.08090	1.6
359.09174	0.9
361.07053	6.8
362.07663	3.0
363.04431	1.0
363.08591	16.3
365.06448	54.0
366.06836	3.6
367.04001	1.2
367.08090	24.9
371.07547	6.5
373.06885	2.7
375.08594	4.0
377.06427	24.5
377.10849	1.1
378.06885	1.3
379.08044	12.0
381.09747	8.4
383.07602	10.6
389.06412	7.7
390.07138	1.5
391.08160	15.5
393.09573	4.5
395.07550	73.4
396.07764	1.2
401.06500	3.6
403.08133	4.8
405.10074	5.4
405.14114	0.8
407.07480	27.6
409.09186	1.5
413.08612	29.8
415.08051	1.4
417.09555	3.1
419.07568	19.2
421.09250	10.5
425.08624	25.2
431.09241	10.4
433.09052	3.5
435.10464	5.5
437.08569	10.9
443.09641	18.6
445.09076	3.0
449.08713	15.9
455.09772	7.8
461.10513	22.0
463.09897	0.9
467.09711	18.3
468.57361	2.7
468.91077	1.0
473.10672	27.9
479.09415	3.6
485.10724	29.3
486.10663	1.0
491.09616	6.5
497.10614	24.5
509.10742	20.3
515.11829	22.6
527.03937	0.9
527.11786	28.8
545.12811	35.9
563.13885	31.4
564.13898	0.8
581.14850	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30122	0.5
55.49435	0.5
57.07010	7.2
70.02180	0.6
70.06509	11.4
71.08527	2.5
80.89693	0.5
85.10117	1.0
85.12119	0.6
88.07556	15.3
92.63933	0.7
102.09129	2.9
106.08619	7.3
145.06857	0.6
230.24818	0.9
256.14313	0.7
256.26303	6.1
274.27359	100.0
275.27548	3.9
538.52374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57099	2.7
54.81010	3.0
55.01812	3.2
57.31790	2.3
63.90311	2.7
70.06509	7.1
71.06034	18.8
72.04435	4.9
77.00539	20.9
78.03709	11.9
83.06050	4.0
84.04421	16.5
85.02834	4.5
85.03958	18.4
85.40966	2.7
86.05978	4.9
92.01622	6.6
92.98251	12.5
99.05543	3.9
102.03712	6.8
109.07611	4.9
110.00930	4.8
115.08676	3.2
118.03192	63.0
130.03200	14.0
130.04970	18.2
131.04492	45.1
131.06328	7.2
133.20509	3.1
137.17790	3.2
142.08630	13.9
147.05843	100.0
149.07416	45.2
153.06601	7.7
155.08154	6.5
159.02200	5.3
177.03275	52.8
181.04694	6.1
181.06133	11.9
184.09679	4.3
185.03738	35.6
199.07135	7.0
209.00563	7.0
231.04291	62.8
254.06380	5.5
256.03943	3.3
257.07718	3.6
268.07773	3.9
288.06528	7.5
293.09607	4.1
325.09885	98.8
392.23581	3.3
436.13272	13.7
437.15039	13.6
454.14246	36.1
508.88458	4.1
566.19122	13.9
584.20526	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	584.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08121	0.2
53.03881	0.5
55.01817	0.7
55.05454	0.5
57.03370	0.6
60.04464	0.3
60.08105	0.3
61.02850	1.6
67.05383	0.3
69.03345	3.5
70.06178	0.4
70.06509	5.3
72.08066	0.7
73.02827	0.4
81.03320	1.8
81.06959	0.4
84.04420	1.3
84.08062	1.8
85.02339	0.5
85.02827	10.8
86.05970	0.6
86.09629	1.4
91.03888	0.6
91.05399	7.0
97.02815	3.5
99.04388	0.7
100.07525	0.3
100.11170	1.9
103.05418	2.4
104.10641	0.6
106.02855	0.5
109.02811	0.6
110.07116	1.1
111.04386	0.6
112.80367	0.3
114.05481	0.5
115.05419	4.1
116.06177	3.6
117.06976	6.8
119.04889	0.5
120.08106	0.3
124.03889	1.3
124.99966	0.4
127.03860	1.7
128.06165	2.0
128.07031	0.4
129.06961	12.0
129.10213	1.2
131.04881	1.6
131.08530	19.4
132.08936	0.5
133.06494	0.3
137.05980	0.4
141.06937	4.3
143.04938	0.4
144.04510	0.4
144.05679	12.4
144.06529	0.5
145.04962	1.8
145.06458	14.5
146.07243	0.3
147.04419	0.6
147.08061	1.1
151.03848	0.4
155.04921	1.3
155.06036	1.2
156.05681	1.7
157.06461	12.1
158.07164	1.7
159.04419	0.5
159.08017	26.8
160.05135	0.6
160.08366	0.4
161.05956	3.2
169.06383	0.4
169.07581	2.4
171.04356	0.4
172.05164	2.0
173.05956	14.8
174.06711	3.9
175.03946	0.6
175.07503	4.9
177.05458	0.6
180.08670	1.5
181.04906	2.4
182.15358	1.6
184.05255	0.5
184.07361	0.6
185.05936	12.4
186.06616	1.3
187.05844	0.4
187.07513	11.2
188.04700	1.4
188.07928	0.5
189.05405	3.3
189.09047	1.6
190.06181	1.8
191.06940	3.8
196.13312	0.4
201.05435	0.6
202.06252	3.5
203.06996	14.2
204.07782	23.1
205.08447	2.7
207.10115	0.4
210.14795	1.0
213.05359	2.6
217.08559	16.5
218.05638	1.3
218.09103	0.7
219.06500	0.5
219.10126	2.7
230.05702	1.6
231.06468	10.9
232.06837	0.5
233.04466	0.3
233.08052	7.2
235.05957	10.1
235.09650	0.5
245.08022	5.7
248.06778	1.6
263.09088	100.0
264.09351	4.5
268.08188	0.5
281.10135	26.3
282.10437	0.6
453.34427	0.4
486.69315	0.4
584.39777	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	586.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62029	0.3
50.91905	0.3
53.88451	0.3
54.81908	0.4
55.01799	0.5
57.03376	0.3
57.07007	2.6
59.04926	2.3
61.29792	0.3
64.39339	0.3
64.43111	0.3
67.05415	2.5
69.06998	2.7
70.02857	1.6
72.04435	7.7
73.02821	2.3
73.29474	0.4
74.02338	0.7
74.33500	0.4
81.03341	0.5
85.02811	2.0
85.06466	6.5
86.09636	1.7
87.08016	1.8
90.05480	71.3
91.05841	0.4
94.98386	0.4
95.04900	3.5
96.08051	0.5
97.02823	0.5
98.02345	8.0
100.03894	0.8
103.07516	5.6
113.05936	1.9
116.03396	10.6
118.06497	6.7
124.07551	11.8
131.06961	0.7
132.08041	2.4
142.08626	6.1
143.07248	1.5
143.97426	0.4
144.08087	5.5
146.05989	28.7
147.06337	1.9
156.10202	1.9
159.09174	2.6
160.07530	0.4
160.09665	1.7
166.08627	0.7
170.05986	1.8
174.11235	1.6
184.09657	14.5
188.07036	25.9
189.07358	2.8
202.10712	24.7
205.09674	4.7
220.11765	100.0
221.12088	1.8
222.08885	0.4
354.04916	0.4
382.16968	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	4.3
55.26989	2.7
57.07012	58.9
67.05419	2.7
71.08537	29.6
71.89117	2.3
73.06453	2.9
77.86459	2.8
80.73436	2.6
81.06958	3.2
85.10116	20.7
86.09634	3.7
87.04355	4.8
89.05961	100.0
99.11662	3.2
104.10693	6.6
124.51281	2.8
133.08557	35.2
150.40106	2.7
177.11179	12.0
204.50555	2.6
243.23169	6.0
287.25809	3.4
415.25198	3.6
527.25159	4.4
533.92859	3.0
569.42090	19.4
586.45941	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	588.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.1
54.81938	0.4
55.01812	0.8
55.05444	1.0
57.07010	0.5
64.33612	0.5
67.05421	2.6
69.03342	2.3
69.06982	3.1
79.05404	7.9
81.03326	1.9
81.06971	21.2
82.75719	0.5
83.08532	1.9
83.32877	0.4
85.02826	5.9
87.00742	2.6
88.97174	0.5
91.05367	0.7
93.06985	2.0
95.04893	33.7
95.08518	2.8
96.05242	0.6
97.02818	0.9
97.06445	0.5
97.10128	0.7
99.04433	0.5
100.45915	0.5
104.10633	0.6
105.01827	1.0
105.06987	0.9
107.08531	2.0
109.02802	0.9
109.06466	100.0
109.10118	3.0
110.06786	0.8
111.08064	0.8
119.08550	0.7
121.06422	0.9
123.08076	0.7
123.11647	0.7
127.03870	2.6
131.59981	0.5
135.08028	0.9
137.05942	0.8
151.07532	2.9
161.28894	0.6
165.09116	0.7
209.18983	4.1
305.24689	31.1
306.25082	0.6
336.48434	0.5
339.11493	0.5
347.25674	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	591.305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84455	3.7
56.96508	53.2
59.63796	3.5
61.73254	3.8
62.75704	3.4
71.08531	5.7
74.87360	3.7
81.17518	3.3
84.73444	4.0
86.09624	5.5
89.05946	9.8
90.19979	4.0
90.56888	4.1
93.06990	4.6
96.74604	3.8
98.97519	92.7
101.96817	4.7
110.62438	4.3
112.99048	20.3
116.98569	81.8
117.47147	4.5
121.06419	6.0
128.98567	5.0
131.00143	60.6
132.00623	4.7
134.99632	52.8
139.20639	4.2
140.00127	3.7
143.00067	4.7
146.99586	5.4
149.01213	97.5
153.00685	8.5
158.99655	40.2
161.01190	24.5
167.02232	30.6
170.99620	4.9
172.02789	5.5
177.00708	76.0
177.27574	5.3
184.07234	6.3
189.00746	5.2
191.02251	18.5
195.01770	18.0
199.02721	9.5
203.02296	9.9
217.03896	6.1
218.07945	5.2
219.01608	5.2
237.02721	6.7
275.04239	8.5
293.05505	35.1
296.33905	4.7
311.06137	7.9
313.20456	52.7
316.07117	4.7
331.21475	99.3
355.21371	9.6
373.22543	5.7
487.37744	5.3
531.21570	6.1
531.28314	100.0
532.28827	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40096	1.3
54.81708	1.6
55.05447	9.1
57.03367	1.9
57.07016	10.4
67.05431	14.2
69.06991	14.3
71.08544	5.7
79.05423	12.8
81.06506	2.2
81.06974	55.0
83.08532	6.1
84.23387	1.2
84.33399	1.3
85.02836	1.9
85.10085	2.5
91.05386	3.2
93.06971	16.1
95.04905	2.3
95.08518	18.7
97.06440	1.8
97.10120	5.3
105.06970	2.5
107.04889	12.1
107.08538	11.8
109.10111	7.0
110.34249	1.3
114.37231	1.3
119.08562	2.2
121.10089	7.7
123.11625	5.0
129.07007	1.5
133.10092	2.3
135.11624	6.4
137.13228	1.9
145.10107	5.8
147.11632	3.1
150.66576	1.4
157.10098	7.8
159.11652	2.5
161.13161	2.3
163.14752	1.4
233.02916	1.5
261.22150	1.7
269.02148	1.3
313.27408	5.8
385.52151	1.5
411.36124	100.0
412.36224	5.4
429.37158	6.5
573.49011	4.5
591.38440	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	591.5822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	19.0
57.03350	1.1
57.06999	6.8
67.05428	12.2
67.05997	1.0
69.06987	20.8
71.08542	1.5
72.04430	100.0
79.05379	4.9
81.06981	15.4
82.36222	0.9
83.04904	1.1
83.08534	6.8
91.05391	1.6
92.10831	1.8
93.06971	4.7
95.08524	12.3
97.06432	1.1
97.10107	3.6
100.07529	1.5
104.04749	0.9
105.06990	1.3
107.08531	2.0
109.10104	7.1
114.09127	8.8
119.08562	1.3
121.10094	1.3
128.10652	5.2
133.10088	4.5
142.12224	4.8
156.13792	2.0
170.15410	2.3
184.99916	1.3
198.18533	1.8
214.70164	1.0
284.29388	15.2
308.29422	79.8
309.29611	1.7
330.53482	1.0
337.27191	1.1
405.80447	1.2
512.43195	1.1
556.39069	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	592.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	1.4
55.01814	0.3
56.04959	0.2
56.63298	0.1
57.03373	1.0
61.02861	1.5
61.03127	0.2
66.63237	0.1
68.04939	0.2
69.03350	5.2
70.06516	1.6
71.04874	0.6
72.08064	1.0
73.02838	0.3
74.06005	0.2
78.03363	4.0
79.04162	0.3
80.04932	1.2
81.03339	6.2
81.06930	0.2
83.04907	0.2
84.04431	0.8
84.08060	1.1
85.02827	10.3
86.09634	0.6
86.15135	0.2
87.04382	0.2
93.23957	0.2
96.04423	2.8
97.02826	3.5
98.03141	0.2
99.04392	0.7
102.05455	0.3
104.05264	0.2
106.02859	24.2
109.02840	5.2
110.07108	0.2
117.09025	0.2
117.59672	0.1
120.08064	0.2
124.03912	100.0
125.04263	1.5
125.05025	0.2
127.03883	2.4
129.10237	0.3
133.25726	0.1
137.01585	0.2
140.03413	0.2
145.04927	0.4
147.04321	0.3
166.04980	1.0
181.84299	0.2
196.06021	0.3
232.05981	1.5
250.07043	4.0
268.08093	42.3
269.08487	0.8
274.45248	0.2
394.11230	1.0
430.11945	0.2
430.17474	5.7
592.21906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94070	1.2
60.40419	1.2
65.03863	7.9
72.08070	1.8
79.05425	1.4
81.07001	2.0
86.67675	1.7
92.63745	1.4
95.08544	1.5
95.15866	1.2
99.41275	1.3
104.10686	5.9
133.29968	1.3
139.03896	6.1
147.04378	1.5
149.02321	100.0
149.03378	5.1
172.95168	1.8
186.35384	1.3
193.04935	45.4
205.76768	1.4
297.03818	2.5
313.06989	1.5
313.16150	1.7
341.06418	6.5
385.08899	11.7
413.34320	2.7
577.13300	53.5
593.31635	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	594.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72134	0.5
55.42837	0.4
58.32311	0.4
62.86143	0.4
64.95869	0.4
65.03867	6.2
95.04915	0.8
104.10715	0.5
121.02839	4.3
130.47536	0.5
131.04846	0.5
136.50832	0.4
139.03889	4.3
149.02333	100.0
149.03397	6.2
150.02686	2.0
160.11182	0.4
166.79372	0.5
175.03862	2.5
177.05446	0.8
191.07007	0.6
193.04939	51.2
194.05356	0.6
219.06480	0.9
260.80338	0.4
269.04459	0.6
297.03897	0.8
313.07208	0.7
329.60211	0.5
341.06555	3.3
357.46762	0.5
385.09174	6.9
398.01535	0.4
404.33215	0.4
470.66766	0.4
473.16037	0.6
533.10303	0.5
577.13348	50.4
578.04468	0.5
578.13110	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	594.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45523	0.2
54.04695	0.3
55.77983	0.2
56.04974	0.6
56.96490	1.5
57.07014	0.3
58.06522	0.6
60.08100	7.6
71.06926	0.4
71.07296	4.9
72.08061	0.7
86.09631	19.7
92.11071	0.3
102.92555	1.6
104.10684	100.0
105.11035	1.5
117.23142	0.3
118.92120	0.4
136.93115	0.7
154.94148	2.4
162.94598	0.4
172.95197	9.8
180.95709	3.8
190.96263	8.3
198.96768	32.8
210.68837	0.3
210.95068	0.3
210.96700	2.4
216.97829	40.7
221.98413	2.0
228.97820	5.8
234.98917	1.5
236.98225	0.4
239.99486	1.1
254.99344	1.6
313.20596	1.8
314.06873	0.4
331.21515	2.9
411.17068	0.4
419.18869	1.2
437.19617	1.5
449.19635	2.9
467.20648	1.4
475.21332	1.5
478.25894	4.2
534.28564	5.9
584.72986	0.4
594.21423	0.6
594.30676	15.7
595.30536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77059	1.5
55.05436	1.6
56.96492	2.9
57.07020	2.4
59.00082	1.5
60.08082	7.1
61.62761	1.4
67.05431	2.5
71.07269	10.1
77.38235	1.5
86.09621	33.9
95.08498	1.8
102.92487	2.0
104.09998	3.5
104.10686	100.0
124.99914	1.9
154.94142	2.7
172.95189	21.6
190.96288	13.0
198.96733	51.6
210.96678	2.3
216.97824	65.9
221.98184	3.1
228.97763	8.5
230.99451	1.8
234.98557	1.8
254.99179	3.2
331.21390	3.3
449.19669	2.9
475.21011	2.6
478.26047	7.3
534.28271	8.6
594.30511	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	594.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20896	0.2
56.04967	0.7
56.96491	1.4
57.36762	0.3
58.06525	0.5
60.08094	8.2
61.26886	0.3
66.12225	0.3
71.07286	5.1
71.08533	0.5
72.08055	0.8
75.68797	0.4
84.49245	0.3
86.09625	18.1
86.62547	0.4
92.10915	1.4
102.92542	2.3
104.10677	100.0
105.10999	0.7
154.94106	3.1
162.94676	0.4
172.95192	10.1
172.96706	0.4
180.95644	3.4
190.96245	9.1
198.96754	34.8
200.50174	0.3
210.96790	1.3
213.97737	0.4
216.97815	42.2
221.98396	0.6
228.97789	4.5
230.99142	0.5
234.98917	0.8
239.99391	1.6
246.99138	0.4
254.99451	2.2
295.19543	0.6
313.20456	2.3
331.21454	3.0
342.88904	0.3
377.24112	0.4
419.18423	0.6
437.19800	1.5
449.19711	3.5
467.20807	0.7
475.21393	1.7
478.25946	4.4
489.58817	0.4
534.28693	4.9
575.41235	0.4
594.30707	16.2
594.40198	0.7
595.30701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82451	3.9
55.05461	34.0
55.41669	3.6
57.07016	8.8
62.35657	3.4
67.05432	97.7
69.06994	32.2
71.04942	3.9
74.15746	3.9
76.80461	3.6
79.05410	40.9
81.06982	100.0
83.08557	23.8
85.06445	7.7
91.05424	27.2
93.06975	38.7
95.08539	83.6
97.06456	4.8
97.10088	5.3
105.06985	20.3
107.08553	23.7
109.10139	39.4
110.41445	3.9
117.06948	4.2
118.77589	3.5
119.08533	9.4
121.09332	3.9
121.10120	24.5
123.11675	5.9
131.08548	8.6
133.10130	15.0
135.11674	8.3
147.11662	9.2
149.13162	5.4
153.34486	3.7
161.13220	8.9
163.14850	5.2
181.17558	3.6
261.22153	15.0
263.23511	4.8
279.23151	17.6
309.32489	7.8
310.30896	42.6
311.31262	18.3
432.83484	4.1
523.44928	7.2
541.45825	21.4
559.46716	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	594.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	3.5
55.05441	16.5
57.03366	3.1
57.07006	12.6
57.40537	2.0
59.62728	1.9
61.97752	2.2
65.03855	3.1
67.05428	96.6
69.06983	23.8
71.08549	4.9
79.05399	24.1
81.06512	4.3
81.06975	100.0
83.08544	9.4
85.10103	32.3
91.05396	19.0
92.10924	7.6
93.06979	20.7
95.07958	4.1
95.08536	81.9
97.06441	3.2
97.10088	2.6
99.08001	4.8
101.63905	2.2
105.06969	10.7
107.08529	14.6
107.63586	2.3
109.10120	26.8
113.09590	23.4
117.06945	3.1
119.08519	5.1
121.10057	11.6
123.11662	11.8
131.08521	9.3
133.10094	14.5
135.11650	5.5
137.13210	8.0
145.10089	3.1
147.11688	4.1
149.13237	9.9
149.14378	2.3
151.14789	2.3
161.29962	2.2
163.11118	2.4
163.14778	2.1
167.14330	2.1
261.22141	3.5
279.23108	66.0
297.24084	3.6
311.31488	2.4
327.54059	2.4
376.54199	2.3
449.64383	3.0
559.47119	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28825	0.2
56.70596	0.2
58.87432	0.2
65.03863	5.2
65.04201	0.2
69.03348	0.4
79.01778	0.2
79.05420	0.2
83.92258	0.2
88.54548	0.2
88.61971	0.2
92.47856	0.2
95.04909	1.0
103.49002	0.2
119.77769	0.2
121.02833	3.2
121.04127	0.2
131.04948	0.5
139.03879	4.1
147.04395	0.4
149.02328	100.0
149.03394	6.2
150.02684	2.0
153.06947	0.2
160.28075	0.2
162.06619	0.2
175.03905	0.9
177.05350	0.3
180.04240	0.2
191.07010	0.2
193.04933	72.7
194.05179	1.5
219.06503	1.0
237.07538	18.0
238.07893	0.3
258.01260	0.2
269.04349	1.0
297.03854	1.2
313.06949	1.6
341.06516	5.2
359.07593	2.4
385.09113	14.3
386.09424	0.9
429.11746	5.8
533.09918	0.3
577.13342	10.7
578.13080	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	Kaempferol-3-Glucoside-3'-Rhamnoside
Peak:m/z	Relative Intensity
57.03363	0.2
67.67083	0.2
69.03324	0.8
70.06507	3.8
72.08045	0.4
77.96761	0.2
84.04404	1.0
84.08044	1.2
85.02820	1.0
86.09611	0.5
87.04366	0.3
91.26923	0.2
97.02819	0.5
102.05455	0.2
110.07101	0.4
120.08028	0.4
124.03897	0.8
129.10210	0.3
153.01791	1.0
175.03880	0.3
216.63684	0.2
229.04961	0.4
257.04358	0.3
258.05167	20.2
286.04651	56.5
287.04990	1.7
301.06992	100.0
302.07294	3.2
384.19031	0.2
414.42603	0.2
463.12152	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	0.3
53.09968	0.2
55.01809	0.7
56.43517	0.3
56.85078	0.3
57.03361	0.7
59.24255	0.2
61.02851	0.6
62.16660	0.3
63.35161	0.3
65.03869	0.5
67.05406	0.3
68.99692	0.4
69.03366	2.6
70.06506	5.9
71.04919	0.4
72.08055	0.5
78.03346	0.4
79.05398	0.4
81.03322	2.6
81.06954	0.3
84.04408	3.0
84.08060	1.8
85.02826	7.3
86.09615	0.8
90.31320	0.3
91.05402	0.7
93.06926	0.3
95.04911	0.7
97.02807	2.2
102.95502	0.3
103.03847	0.5
103.08938	0.4
106.02840	1.7
107.03200	0.4
107.04877	1.2
109.02814	2.3
110.07112	2.2
119.04898	3.2
121.02810	7.3
124.03912	7.8
125.04266	1.9
126.04421	0.4
127.03846	1.4
129.10184	0.6
136.07625	0.4
141.01834	0.8
145.02831	2.4
147.04419	1.5
149.02333	0.7
151.03886	0.5
153.01782	0.4
153.05287	0.4
163.03854	2.8
165.01794	7.6
167.03348	3.8
167.07016	1.7
177.01772	0.8
177.05440	1.3
181.04898	3.8
183.02863	7.9
185.08054	0.4
187.03828	1.7
191.03351	1.4
195.02876	2.8
203.03288	0.5
205.04944	1.6
207.02843	0.5
215.03459	0.6
220.79257	0.3
229.04927	0.6
233.04456	0.6
239.06920	0.8
261.03809	1.7
267.06500	7.9
268.07956	1.9
269.08307	1.4
270.05136	3.3
270.08539	1.5
271.05984	5.5
277.08456	0.4
279.06439	1.5
281.08026	9.0
283.05939	100.0
284.06631	11.3
285.07745	0.5
293.08023	0.5
294.05112	0.7
295.05936	11.7
295.09558	3.2
297.04184	0.5
297.07300	2.5
305.07971	3.6
307.05969	2.4
308.06686	2.8
309.04037	1.5
309.07477	23.9
310.07913	0.6
310.35672	0.3
311.05563	0.4
313.06992	56.9
314.07330	1.8
321.07443	3.2
323.09067	16.9
325.07031	1.4
333.07504	4.0
335.05383	0.5
337.06982	27.4
338.07263	1.4
349.07022	9.8
350.07358	0.5
351.08395	2.2
361.06985	8.6
367.08035	14.5
368.08798	0.4
379.08084	14.0
380.07944	0.4
397.09113	11.8
398.09604	0.5
415.10074	17.7
415.15210	0.7
416.10165	0.4
433.11227	4.9
437.73553	0.4
475.12189	0.5
499.11978	1.3
577.15088	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	3.3
55.01766	1.5
55.05474	1.9
56.04967	2.5
56.36605	1.5
56.97982	1.5
57.03371	3.9
59.68868	1.5
61.02835	2.0
67.05421	1.5
69.03352	7.5
70.06507	34.0
72.05283	1.6
72.08058	2.8
81.03337	8.1
84.04427	9.5
84.08079	9.8
85.02831	15.6
86.09628	3.9
89.23242	1.4
91.05399	9.9
92.63378	1.9
97.02809	8.2
99.01895	1.7
99.04397	4.1
103.03889	3.3
106.02850	8.0
107.04899	3.5
109.02856	7.0
110.07133	10.1
119.04920	10.9
120.08067	1.8
121.02811	41.0
124.03906	10.8
127.03905	7.2
129.10190	3.8
130.07843	1.8
131.04878	2.2
136.07579	3.1
145.02835	12.0
145.04918	2.5
147.04402	3.4
175.03851	2.4
177.05431	9.1
179.03380	3.2
189.01791	3.9
191.03412	3.0
195.02887	10.5
203.03313	17.3
207.02809	13.9
207.06357	2.3
215.03218	2.7
217.04971	6.7
219.02916	3.1
221.04494	9.8
229.04936	4.0
233.04269	2.5
237.02708	2.5
245.04495	2.4
247.06120	2.1
257.04358	2.4
268.07468	7.4
279.06470	9.8
281.08124	8.7
283.05853	9.6
294.05121	23.3
295.05939	100.0
296.06564	4.0
297.07581	11.3
307.05972	46.7
308.06409	13.4
309.07559	16.7
313.06989	3.1
319.06186	2.3
319.84888	2.3
320.06613	3.2
321.07498	37.2
322.08221	15.6
323.05444	2.2
323.09158	3.8
325.07007	70.9
326.07388	3.3
331.09808	2.3
333.07605	10.0
335.09198	19.0
336.06131	4.2
337.07037	47.7
345.07590	3.2
347.08978	13.0
349.06995	39.2
350.07565	2.6
351.08514	22.3
355.08047	10.1
357.07452	2.4
361.06973	20.4
363.08578	9.0
365.10092	8.3
367.08093	3.7
373.06766	9.5
375.08383	14.5
379.07993	43.8
389.10117	3.4
391.08078	25.7
403.07986	19.0
409.08997	20.9
417.09424	2.4
421.08890	13.5
427.10217	20.7
429.09344	2.0
439.10101	12.6
445.09879	7.5
457.11212	41.1
458.11139	2.2
463.10272	4.5
475.11856	11.4
481.11179	14.1
499.12234	17.3
511.12189	16.6
523.12408	14.6
529.13245	7.5
541.13196	17.5
559.14301	15.0
577.15216	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	595.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	10.4
57.03351	2.3
59.04197	1.0
61.02842	2.5
68.99707	1.3
69.03341	2.4
70.06511	15.1
73.02798	1.2
79.05415	1.0
81.03326	2.2
84.04424	5.4
84.08048	8.5
85.02827	9.0
86.09612	2.1
89.03828	1.7
91.05386	2.2
93.03310	2.1
95.04893	1.5
97.02807	4.1
106.02785	1.9
107.04877	4.6
109.02796	6.5
110.07102	6.5
117.03304	1.3
119.04880	1.6
120.60635	1.0
121.02798	4.7
122.24757	1.0
123.04325	1.0
124.03912	4.9
125.05920	1.5
127.03799	1.5
129.10178	1.8
131.04912	4.1
135.04350	2.4
137.02309	12.3
139.03828	1.2
141.05403	1.2
145.02814	2.3
147.04359	1.9
149.05951	16.3
151.03877	51.0
151.04961	2.9
152.04285	1.0
159.04433	1.2
161.05859	1.7
163.03841	4.4
173.05852	1.3
175.03841	7.7
177.01711	1.7
177.05411	6.4
179.03334	4.9
181.04811	1.5
187.03848	1.7
189.01680	7.5
189.05396	1.5
191.03337	10.0
195.02922	11.2
197.70612	1.0
199.03799	1.5
201.01697	1.8
201.05440	1.2
203.03372	11.8
205.04834	2.2
207.02853	15.4
209.04427	1.2
211.03745	1.2
213.05269	1.7
215.03354	4.5
217.04893	7.7
219.02911	9.5
221.04437	9.5
225.03799	1.5
227.03371	2.3
229.04895	5.7
231.02785	1.9
233.04376	8.1
235.05870	2.1
243.02719	4.8
245.04366	5.1
248.92168	1.0
253.04744	1.1
255.02872	4.0
255.06252	2.1
257.04370	4.1
259.09351	1.6
261.03751	1.7
267.06409	1.8
268.08084	1.5
273.03986	1.7
281.04416	2.1
282.05225	1.2
283.05920	5.2
284.06622	1.6
285.03781	1.3
294.05182	3.8
295.05869	2.2
296.06683	2.6
297.03918	1.1
297.07379	4.6
298.04715	1.6
298.08185	4.5
299.05417	1.4
299.21051	1.2
308.06659	5.6
309.04034	2.0
309.07425	6.8
310.04602	16.8
310.08182	5.6
311.05350	4.6
311.09003	5.3
312.06024	7.6
313.06973	9.8
314.07715	1.2
320.06668	2.0
321.07639	3.9
322.04550	14.5
322.08328	7.4
323.05264	6.3
323.09122	4.1
324.06192	30.9
325.06995	100.0
326.07660	13.3
327.08472	7.1
332.06818	2.0
334.04715	2.8
334.08249	4.6
335.05441	1.9
335.09036	2.3
336.06165	23.0
337.06955	72.2
338.07715	26.0
339.04630	2.2
339.08481	22.6
340.05807	7.7
343.07990	7.0
346.08127	1.5
347.09015	3.9
348.06235	7.7
348.09888	1.6
349.06946	9.5
350.07758	17.9
351.04330	2.4
351.08557	48.1
352.05487	8.4
352.09439	8.6
353.06287	4.3
353.10092	6.7
355.08035	82.2
356.08319	2.2
359.09076	1.5
360.06100	2.4
361.06897	1.6
362.07672	5.3
363.08548	21.7
364.09097	5.9
365.06317	4.2
365.10056	19.1
366.07141	11.6
367.08057	58.0
368.08307	4.2
369.09543	2.5
374.07672	2.3
375.08420	7.7
376.05331	4.2
376.09317	4.3
377.05991	1.5
377.10126	9.7
378.07230	5.2
379.08023	55.3
380.08505	6.9
381.09625	23.8
385.09085	9.4
387.08691	2.4
388.09424	1.4
390.06955	2.2
391.07959	26.7
392.08563	2.3
393.09598	19.3
395.11267	7.8
397.08972	11.3
402.07001	1.5
403.07861	12.4
404.08759	1.5
405.09665	12.7
407.11218	4.5
409.09076	83.6
410.09442	2.4
415.08301	1.7
416.08423	1.4
417.09357	6.1
419.11340	2.4
421.09000	36.9
422.09592	1.3
423.10562	2.4
427.10150	26.2
431.11420	3.2
433.09039	18.0
435.10910	8.3
439.10193	40.0
440.10617	1.7
445.09946	10.1
447.10501	2.0
449.12415	2.0
451.10083	9.4
457.11206	39.2
458.10782	1.4
459.10544	2.0
463.10129	16.7
469.11279	8.5
475.11859	20.0
477.11499	1.1
481.11255	17.0
487.12256	19.6
488.11340	1.6
493.11053	5.7
499.12296	25.8
505.11240	6.4
511.12186	22.1
523.12384	20.6
529.13446	22.8
541.13257	37.7
542.13184	1.5
559.14380	35.5
560.14569	1.6
570.81458	1.5
577.15405	25.1
578.15753	2.4
595.15997	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	595.1662
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
52.51647	0.2
53.03887	0.2
54.34090	0.2
55.01803	0.2
55.05444	0.4
56.04969	0.5
57.03375	2.5
61.02840	0.4
64.97298	0.2
69.03352	2.1
69.06955	0.2
70.06509	5.6
71.04908	10.2
72.08073	1.6
73.02814	0.2
74.05991	0.4
75.04379	0.4
78.03336	0.2
81.03338	1.9
83.04889	0.4
83.06018	0.4
84.04420	1.6
84.08076	2.5
85.02824	16.6
86.09605	0.9
91.05415	0.3
93.04438	0.2
96.04399	0.4
97.02805	1.5
99.04391	0.4
101.07073	0.3
106.02869	1.1
109.02816	1.0
110.07111	1.9
111.00732	0.4
112.08701	0.3
119.04921	0.2
120.08063	0.4
121.02816	2.6
124.03916	2.3
127.03868	1.1
129.05457	1.5
129.10156	0.5
130.06451	0.3
133.02840	0.3
136.07547	0.5
137.02333	1.3
145.04955	0.5
147.04382	0.3
147.06479	0.2
153.01785	4.2
157.06281	0.3
159.09061	0.2
165.01808	2.0
177.05490	0.3
181.04950	0.3
183.02797	0.5
185.05894	0.5
207.06673	0.3
213.05438	1.0
231.06453	1.3
241.04865	0.5
258.05188	1.2
259.05960	0.3
287.05435	100.0
288.05817	4.3
351.82303	0.2
449.10837	0.3
534.59027	0.3
549.32874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25657	3.6
54.81622	3.4
55.05447	4.6
57.07002	5.1
57.60161	3.4
59.06057	3.8
62.56978	3.2
63.49071	4.1
64.33031	4.4
67.05421	10.4
77.01379	4.2
81.06973	7.1
88.02123	7.3
92.10928	15.4
104.10651	4.8
200.73952	4.9
210.18491	9.4
250.05040	5.2
279.72021	4.2
331.79114	4.5
595.35913	100.0
596.35577	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	596.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12822	0.6
53.03888	3.9
53.24865	0.5
53.90551	0.6
55.01811	4.0
57.03378	6.6
59.34178	0.6
61.02853	10.7
65.03870	1.5
69.03344	21.9
71.04907	2.8
73.02829	4.1
81.03336	13.5
83.01289	0.7
85.02824	100.0
86.09628	2.6
87.04372	1.4
87.10431	0.7
91.03882	3.2
92.04903	4.8
97.02820	29.9
99.04380	5.9
103.03856	0.9
106.06490	6.3
107.50194	0.7
109.02836	10.3
109.05205	3.4
110.05988	97.8
111.04404	3.2
115.03897	0.6
120.04436	0.9
122.05983	8.1
127.03871	18.2
133.06093	0.7
134.05972	20.3
136.06160	3.0
136.84367	0.8
145.04922	14.7
145.05962	0.9
146.06004	3.5
146.99570	0.7
148.07523	1.2
149.56689	0.7
152.07036	11.1
160.07501	0.7
163.06007	3.9
164.07098	0.7
170.03246	0.7
171.06473	0.9
176.07027	6.2
177.00571	0.8
184.17030	0.6
188.06975	0.8
191.03906	1.1
218.08170	3.7
236.09120	6.6
236.11086	0.7
237.02734	0.9
254.10208	9.0
272.11203	17.1
314.12497	1.1
325.11069	1.0
348.08817	1.4
348.58942	1.4
398.14401	1.2
416.15427	2.9
434.16660	8.2
561.74585	0.7
578.20856	1.0
596.21808	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	597.3034
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.00229	2.0
53.03884	3.5
55.01802	1.6
55.05453	31.7
57.03141	1.0
57.03381	16.9
57.07005	5.3
58.81638	0.8
65.03859	1.6
67.05431	79.6
69.03352	1.1
69.06992	31.1
71.04910	1.8
71.08521	1.2
71.71964	0.8
79.05414	24.3
81.03347	8.4
81.06979	68.1
83.04892	1.5
83.08539	13.3
85.02817	1.2
85.06454	1.7
91.05408	15.0
92.10276	1.1
93.06976	22.2
95.04941	2.1
95.08540	52.5
97.06432	2.1
97.10107	5.2
98.98402	73.1
99.08019	1.1
104.70233	1.0
105.06965	11.1
107.08552	16.2
109.02820	7.9
109.10112	18.5
111.07985	1.5
111.11671	1.1
114.37417	1.2
116.99454	5.3
119.08547	8.1
121.10090	8.3
123.08031	1.4
123.11652	6.4
133.10083	6.2
135.11649	4.0
137.13222	1.6
147.11658	4.5
149.13301	1.4
151.14735	1.0
155.01022	30.1
161.13251	2.3
163.14754	1.7
173.02144	1.7
245.22617	4.2
261.03571	2.3
263.23633	8.4
273.11246	1.0
317.06339	4.4
319.26053	1.2
335.07336	1.7
337.27313	100.0
338.27606	3.7
399.43469	1.1
540.22339	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64166	0.3
53.00250	0.4
53.03882	1.8
53.74141	0.3
55.01816	0.6
56.04960	0.8
57.03367	2.8
61.02848	2.5
69.02998	0.7
69.03347	12.2
70.06503	11.8
71.04908	0.9
71.58292	0.4
72.08047	0.7
73.02825	1.0
78.03371	5.8
79.05403	0.6
80.04916	2.4
81.03339	9.9
83.01252	0.4
83.06028	0.5
84.04442	3.0
84.08064	2.4
85.02824	19.5
86.09608	1.6
87.04400	1.6
95.04881	0.9
96.04417	5.5
97.02826	6.6
99.04375	2.2
106.02860	34.2
107.04926	0.8
109.02834	7.1
110.07117	6.0
112.08665	0.7
115.08647	0.7
116.07050	0.5
121.02818	0.5
121.74686	0.4
123.04372	2.6
124.03909	100.0
125.04260	0.9
127.03889	4.8
129.10191	0.8
130.06522	0.4
131.05058	0.4
147.04448	0.5
149.02373	0.4
166.04929	1.8
166.57449	0.4
210.68892	0.5
232.06012	0.5
250.04587	0.8
250.07027	7.5
268.08099	40.8
269.08389	0.8
275.44312	0.4
295.24713	0.4
318.20398	0.4
394.11215	0.6
418.11200	2.3
430.13562	1.0
436.12320	14.9
483.69766	0.5
567.40149	0.6
598.17358	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	598.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43729	1.4
53.03874	6.9
55.01799	11.9
55.05430	9.3
57.03365	10.7
57.07015	55.9
58.20469	1.4
61.02843	7.3
64.68645	1.5
67.05429	22.2
69.03350	83.7
69.06972	8.8
70.39285	1.4
71.02480	1.5
71.04900	3.5
71.08186	2.1
71.08546	38.7
72.08066	2.5
72.24084	1.8
73.02815	7.0
73.54756	1.7
81.03340	49.2
81.06969	22.1
83.08533	15.4
85.02827	100.0
85.06474	1.8
85.09682	2.4
85.10107	26.4
86.09651	1.7
93.06958	1.8
93.59259	1.6
95.08530	38.9
97.02826	56.9
97.10084	8.8
99.04381	11.6
99.11702	2.1
101.02324	3.4
104.10671	14.8
108.04458	2.0
109.02839	29.8
109.10110	15.9
115.03890	2.2
123.11628	8.9
127.03871	69.6
145.04955	22.3
169.00290	1.8
180.08580	2.1
239.23665	27.4
245.09602	1.7
365.26819	2.6
383.27884	44.3
401.28897	99.3
402.28955	9.6
605.90973	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	598.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92680	0.7
53.00232	3.6
53.03885	10.6
55.01581	1.2
55.01809	20.4
55.05453	9.8
57.03365	7.6
57.07008	50.3
58.99286	0.8
61.02845	1.5
67.05428	14.3
69.03348	39.4
69.06987	10.3
69.23494	0.8
71.04904	13.4
71.08541	32.9
73.02814	10.7
79.05411	1.7
81.03334	53.0
81.06970	21.2
83.08534	13.8
85.02818	20.1
85.06463	0.8
85.09628	1.2
85.10098	20.4
87.04411	1.2
89.05960	1.5
91.49298	0.8
95.08531	29.2
95.42163	0.8
97.02222	1.8
97.02821	46.1
97.10094	6.5
99.04380	80.8
101.02306	1.7
109.02825	62.7
109.10090	14.5
111.04422	1.3
123.11649	6.1
127.03872	100.0
128.04224	1.2
132.10506	1.0
137.13225	1.0
145.04933	11.3
239.23637	15.0
257.24713	3.9
311.25787	1.4
335.25592	2.2
383.27814	37.1
384.28229	1.2
401.28912	67.3
402.29160	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	598.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00242	2.2
55.05450	8.5
57.03360	1.9
57.07011	49.2
59.41150	1.9
67.05418	10.2
69.03056	2.1
69.06992	11.7
71.08550	40.6
73.06478	3.6
76.56640	2.1
79.05408	3.5
81.06980	14.6
82.82872	2.0
83.08553	3.8
85.10100	23.7
87.04391	4.4
89.05959	100.0
93.06966	3.2
95.08538	2.8
99.11687	2.3
100.97856	2.1
104.64169	2.0
105.07034	2.3
107.07028	3.3
107.08524	2.5
109.10114	2.3
119.08492	3.0
121.10081	3.1
130.80298	2.1
133.08623	25.7
149.38135	2.2
170.79443	2.4
177.11183	13.0
181.66464	2.2
299.29349	4.1
371.22696	4.4
411.36310	3.0
502.48825	2.4
581.46106	18.0
598.49207	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	599.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52293	1.3
50.75631	1.1
53.03875	1.5
61.24008	1.6
65.38631	1.2
69.03350	2.0
70.94741	1.2
78.03352	1.4
85.02845	3.1
89.50453	1.8
97.02814	1.8
106.02863	9.2
106.06489	2.0
108.08047	3.2
124.03914	30.1
124.07530	6.4
134.05988	62.8
136.07556	1.7
152.07047	100.0
170.08095	41.6
198.10321	1.5
218.90295	1.6
268.08197	6.9
275.38043	1.6
286.09064	2.1
312.37830	1.7
317.26334	1.6
419.14590	2.0
424.14072	1.8
437.15140	2.5
469.13416	1.8
539.66516	1.7
599.20715	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03669	0.2
57.07004	0.5
67.05406	0.2
69.06984	0.4
70.03668	0.2
71.37120	0.2
79.05405	0.4
81.06977	0.8
86.40836	0.2
88.88509	0.2
94.04099	1.4
107.08570	0.2
109.06507	0.3
111.08021	0.3
114.09139	0.3
122.03600	5.4
126.90945	0.2
131.96872	0.2
133.10104	0.3
135.11627	0.3
137.05951	100.0
138.06274	0.9
141.12756	0.3
158.15388	0.5
170.15369	1.0
182.15356	1.2
294.20584	1.1
306.20709	2.7
359.20355	0.2
477.13715	0.3
618.88806	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01796	0.1
53.03897	0.2
55.05451	0.3
55.38646	0.1
56.04964	0.3
57.03376	0.2
61.02821	0.2
61.68508	0.2
64.07775	0.2
67.05431	0.3
69.03338	0.7
70.06511	2.2
72.08076	0.3
84.04401	0.7
84.08086	1.3
85.02837	1.7
86.09634	0.4
91.05394	3.2
93.43226	0.1
95.04893	0.2
97.02819	0.9
100.11179	0.4
103.05383	0.3
105.06966	1.3
107.04881	1.5
110.07129	0.7
114.36185	0.2
115.05405	1.8
116.06185	0.8
117.03300	0.2
117.06961	1.3
119.04149	0.2
119.04881	1.3
120.08036	0.2
121.06445	0.3
121.10184	0.2
124.03923	0.4
127.03913	0.2
128.06201	2.6
129.06963	8.3
129.10210	0.3
129.78201	0.2
130.06497	0.2
130.07735	0.2
131.04913	0.3
131.08534	9.8
132.05661	0.2
132.08907	0.2
133.06453	1.4
133.10078	0.7
136.07512	0.3
141.06978	3.4
142.07744	0.8
143.04932	0.2
143.08533	2.0
144.05679	4.3
145.06471	3.4
146.07271	1.5
147.04349	1.6
147.08046	0.2
152.06201	0.2
153.05478	0.2
153.06923	1.5
155.06003	0.4
156.05649	0.8
157.06462	5.0
158.07236	1.2
159.08020	19.7
160.05193	0.3
160.08313	0.6
161.05933	1.0
161.09573	5.4
167.07024	1.7
169.06345	0.4
169.07602	1.2
170.07240	3.8
171.08014	4.1
171.09312	0.3
172.05139	1.7
173.05949	2.2
174.06725	1.3
175.03958	1.2
175.07510	1.4
177.05449	0.8
178.06236	0.7
181.06395	0.2
181.08592	0.2
182.15381	0.7
183.15706	0.2
184.05122	0.2
185.05927	0.2
186.06863	0.2
187.07507	12.2
188.08095	0.7
189.05406	1.1
189.09056	5.8
190.06210	1.1
190.09528	0.2
191.07001	0.7
192.07803	0.4
193.08574	0.3
198.06778	1.0
199.07538	1.9
201.05479	0.8
201.09084	0.4
203.07007	2.1
204.07774	8.1
205.08517	1.6
206.09419	0.4
207.06496	2.1
207.10071	0.3
210.14990	0.6
211.15181	0.3
216.07809	2.6
217.08495	0.8
218.09413	0.8
219.10139	3.6
221.08075	0.7
221.11676	2.2
231.10127	4.4
233.11710	0.9
234.08818	0.3
237.11130	0.7
249.11162	100.0
250.11494	4.6
251.12617	1.3
267.12164	2.0
268.08118	0.2
300.98309	0.2
482.75629	0.2
599.42535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	1.2
56.04315	0.8
56.05776	0.9
58.06535	1.5
60.08106	7.5
67.05425	4.9
71.07294	5.0
79.05361	1.1
81.06980	2.2
86.09635	24.1
93.06967	1.3
98.98395	1.3
103.94598	1.0
104.10685	100.0
124.99973	1.5
159.72249	1.0
174.98483	2.0
182.99030	6.1
201.00105	19.4
208.93112	1.1
212.99948	1.2
227.11153	1.0
239.01640	4.6
243.01094	1.3
284.07446	2.1
301.20068	5.1
319.21048	2.1
337.22119	1.5
521.03033	1.2
540.29108	1.8
552.53979	1.1
600.31134	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	603.335
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33981	2.4
65.24969	2.2
67.05410	2.8
173.40869	2.4
215.65338	2.3
337.74142	2.8
382.16394	2.7
423.27109	18.4
438.85049	2.8
441.28238	19.9
454.70471	2.8
480.57019	3.0
514.96423	2.8
603.33380	100.0
604.33685	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	605.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82148	0.9
55.05453	1.7
56.04971	2.6
62.72587	1.0
64.16187	1.2
70.06507	25.4
72.08074	5.5
74.05998	1.6
79.05403	1.0
81.03325	1.2
83.06017	1.9
84.04462	9.1
84.08076	16.9
85.02842	1.4
86.06099	1.0
86.09638	4.7
91.05424	2.2
92.10136	1.3
93.04461	1.2
101.11684	1.2
102.05486	2.0
104.05236	1.1
106.02829	3.9
110.07126	10.4
111.42148	1.2
120.08055	2.9
124.03925	8.1
129.10243	5.2
136.07558	1.8
141.59099	1.1
147.04521	1.6
159.09204	1.6
175.11072	1.4
177.05568	1.3
605.22015	100.0
606.22223	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	606.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	4.8
55.05445	23.6
57.07001	8.8
64.06387	4.0
67.05428	19.7
69.03345	25.3
69.06989	66.0
69.37946	4.2
79.05431	9.8
81.03319	4.7
81.06977	78.3
83.08537	26.3
85.02839	25.0
87.00755	20.1
88.18720	3.8
91.05407	8.9
93.06974	29.2
95.08546	57.6
97.02812	8.3
97.06496	4.4
97.10097	8.5
105.01778	5.8
105.06976	25.8
107.08541	59.2
109.02831	7.7
109.10103	46.5
111.11664	4.4
119.08518	33.8
121.10107	56.7
123.11663	30.9
127.03846	15.1
131.08524	8.7
133.10112	65.0
135.11655	19.4
137.13170	9.1
143.08540	7.8
145.10080	5.6
147.08006	15.7
147.11659	20.7
149.09625	7.2
149.13252	10.2
161.09604	68.1
167.10649	9.2
172.71814	4.2
179.10634	17.0
181.12222	19.2
203.17900	4.4
204.57576	5.0
233.31877	3.7
245.22528	6.3
259.24063	5.7
287.23715	8.5
305.24677	100.0
323.25879	14.2
362.19116	4.0
409.16910	4.8
413.26935	6.4
535.28931	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	608.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14288	1.1
51.16560	1.0
55.01806	2.3
55.05455	9.4
56.05475	1.1
57.07002	2.2
64.18012	1.1
64.34000	1.4
67.05404	1.9
69.03311	1.5
69.06986	9.2
79.05406	1.5
81.06982	11.4
83.08527	5.7
91.05392	15.3
93.06972	100.0
95.04903	10.9
95.08526	7.5
97.06463	1.7
97.10094	1.4
98.94714	1.4
100.11178	2.7
105.06946	2.5
107.08508	8.3
109.10104	2.9
111.08029	2.8
119.08515	2.1
121.10078	6.3
123.11638	2.1
147.11659	2.3
148.19867	1.5
149.13203	2.4
159.11679	2.1
164.78482	1.4
182.15401	2.2
209.18988	2.4
210.14821	2.5
233.44250	1.3
271.24133	1.7
277.87497	1.3
289.25189	7.6
307.26260	12.8
602.31628	1.4
608.46918	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	608.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81915	3.7
55.05441	27.9
57.06996	21.3
63.28807	4.0
63.32137	3.7
67.05434	37.6
69.03339	20.2
69.06648	5.2
69.06988	74.1
79.05388	17.2
81.03339	10.2
81.06976	100.0
83.08543	36.8
85.02831	44.3
87.00747	24.1
91.05381	6.2
93.06996	38.2
95.04852	7.8
95.08535	98.0
97.02824	9.0
97.10088	25.7
99.04333	5.0
105.01807	20.7
105.06956	7.6
107.08532	51.5
109.02802	10.3
109.10103	79.4
111.07987	6.9
111.11647	9.0
119.08501	5.4
121.10103	39.6
123.11659	68.9
127.03864	30.2
133.10100	7.8
135.11632	27.9
137.13246	9.6
147.11644	4.9
149.13228	32.5
159.02782	4.9
159.11658	5.5
163.14839	7.2
174.57385	5.5
190.85078	3.9
215.17989	4.3
225.18503	4.8
261.25732	17.2
271.24139	4.7
284.16763	5.1
289.25153	32.0
307.26294	87.5
519.29156	8.8
537.30511	7.6
555.31213	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	609.1806
Annotation	Neodiosmin
Peak:m/z	Relative Intensity
51.22639	0.8
55.01804	1.4
55.05429	1.5
56.04962	1.4
57.03371	9.7
58.98819	1.0
63.81317	1.1
69.03332	1.2
70.02904	1.1
70.06509	18.6
71.04549	1.7
71.04906	35.6
72.08060	4.9
74.06001	1.5
81.03320	2.0
84.04414	4.5
84.08054	9.4
84.46681	1.0
85.02338	2.1
85.02821	43.2
85.71235	1.1
86.09625	2.0
87.04363	1.4
91.89185	1.1
99.04384	1.8
106.02834	1.8
109.02818	2.4
110.03145	1.0
110.06016	1.6
110.07068	4.2
124.03873	4.7
127.03844	1.5
129.05415	5.6
129.10196	5.8
145.02812	1.3
149.05907	2.3
151.03874	4.7
165.01776	4.6
175.03880	1.1
177.05415	1.6
183.02852	7.0
195.03156	1.2
241.03894	1.1
249.84808	1.1
268.07925	1.6
271.05969	1.9
282.05103	4.7
296.06726	8.8
297.07416	5.9
298.04645	17.5
299.04999	1.6
300.06137	4.7
301.06836	4.6
307.68204	1.2
310.04599	7.2
310.08096	2.4
311.08994	5.3
313.06976	100.0
314.07547	11.7
324.06201	15.9
325.06906	4.8
325.10553	1.6
327.08527	1.6
328.05661	26.1
328.09186	2.1
336.06192	1.5
337.06891	1.4
338.07703	7.0
339.04996	2.1
339.08536	19.9
343.08029	84.6
344.08176	6.2
345.65833	1.3
352.05548	1.3
353.10178	15.8
364.05396	1.6
367.08005	32.5
376.05600	1.4
379.08002	9.7
380.08820	1.5
391.07809	9.7
394.06619	1.8
397.09018	14.3
409.08990	11.4
427.09995	12.7
445.11258	30.2
446.11292	2.3
463.12238	36.9
464.12170	1.2
491.28799	4.8
616.19482	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	609.1813
Annotation	Diosmin 
Peak:m/z	Relative Intensity
55.05459	0.1
57.03375	0.9
59.46899	0.1
63.04444	0.1
66.33585	0.1
67.01784	0.1
68.99715	0.1
69.03345	0.1
70.06509	0.7
71.04911	3.8
75.04417	0.2
78.68602	0.1
81.06983	0.1
81.72594	0.1
83.04955	0.1
84.08051	0.3
85.02828	4.3
86.09674	0.1
87.04391	0.1
111.04423	0.1
117.78188	0.1
120.08063	0.4
129.05478	0.6
140.64902	0.1
147.06563	0.1
149.05963	0.1
151.03839	0.1
153.01793	0.8
171.02872	0.3
174.50929	0.1
175.03864	0.1
204.09251	0.1
229.05003	0.2
255.06429	0.1
257.04575	0.1
258.05182	12.9
259.05637	0.4
286.04669	45.8
287.05023	1.8
301.07013	100.0
302.07364	4.4
463.12259	14.6
463.17160	0.2
464.12662	1.0
609.18475	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	609.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81815	4.2
55.01817	4.5
55.05438	25.7
57.07014	7.6
58.72858	4.7
67.05417	28.1
69.06976	26.3
70.06505	7.0
70.07263	5.5
76.56267	4.9
79.05429	7.7
81.06968	100.0
83.04868	7.9
84.08073	7.7
91.05413	11.3
93.06970	58.9
95.08540	50.6
105.06956	22.6
107.08524	32.5
109.06490	6.9
109.10084	27.6
119.08575	7.3
121.10096	24.5
123.11684	37.1
133.10031	8.0
135.11720	7.6
137.13176	6.3
148.93867	4.3
149.13248	6.3
159.11658	8.3
215.18008	5.7
232.96698	4.7
251.19955	7.8
307.26205	19.3
396.15247	5.2
441.09836	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	609.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32151	0.8
67.05441	1.2
69.06972	1.1
79.05383	1.4
81.06959	1.2
91.05408	2.1
93.06956	1.1
95.08510	1.3
100.73093	1.0
105.06952	2.2
107.08546	2.0
109.41105	0.8
109.65787	0.8
111.30551	1.0
114.69192	0.8
117.67749	0.9
128.06177	1.2
128.99292	1.1
133.10121	6.0
135.46875	0.9
137.05951	1.2
153.07039	2.0
155.08572	1.8
166.88110	1.1
168.05652	2.4
169.06369	1.5
170.07294	1.9
180.13788	2.0
181.06450	6.3
182.07257	2.1
183.08025	5.4
184.05072	1.5
185.09563	4.5
187.07524	1.8
195.07950	1.7
196.05287	1.7
197.05894	2.0
198.06729	16.2
199.07498	4.3
211.07515	7.9
213.05479	5.0
213.08998	10.0
213.72643	1.0
214.09995	1.2
226.06252	8.7
227.06915	5.8
228.07774	3.9
229.08463	1.2
230.09267	1.1
239.06998	1.6
240.07698	1.2
241.04819	1.3
241.08531	29.6
242.08954	1.3
243.06396	2.2
253.08545	1.6
259.09576	26.3
259.12094	1.7
270.33203	1.0
271.09613	25.8
273.11139	100.0
274.11414	1.9
423.21484	4.5
428.23792	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	610.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22978	1.7
54.81832	2.8
58.11427	1.8
60.79415	1.9
70.12800	2.0
73.04653	11.8
74.09663	2.4
75.53970	2.2
75.91413	2.1
79.02087	3.3
80.71712	2.6
91.05719	100.0
99.73969	2.2
102.81728	2.1
114.07317	4.1
125.77979	2.3
133.82275	2.2
139.80052	2.4
149.04434	2.6
153.36916	2.2
167.05521	25.7
225.04253	4.3
230.56798	2.6
239.09445	17.4
255.88275	2.8
266.99802	9.8
268.97833	11.9
283.02960	5.4
285.00946	24.0
299.06027	22.5
299.25516	2.7
303.01984	5.5
310.30966	10.9
344.97510	4.3
355.06927	41.3
373.07651	3.9
402.95959	2.9
415.03897	2.8
628.87335	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	610.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03368	2.0
69.03342	14.5
78.03362	5.1
79.55393	1.3
80.04945	1.4
81.03320	7.2
85.02827	22.2
96.04395	5.3
97.02790	6.5
99.04371	2.3
100.08446	1.3
106.02853	30.7
109.02805	6.8
124.03903	100.0
127.03814	7.2
147.04384	5.0
163.03877	2.2
190.82956	1.6
250.07050	8.4
268.08020	26.0
275.74600	1.7
277.53876	1.4
286.06143	2.0
286.09143	42.5
287.25699	1.5
355.45401	1.4
372.50613	1.3
404.20850	1.4
430.13596	2.8
448.14291	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	610.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58184	1.2
53.03889	1.7
54.81515	1.4
55.01812	1.6
57.03366	5.3
61.02847	1.3
69.03345	15.6
73.02817	1.9
78.03364	10.8
81.03336	10.1
85.02829	18.8
96.04421	9.2
97.02841	12.3
99.04370	8.5
106.02860	95.5
109.02815	9.1
124.03911	100.0
127.03871	19.5
139.56046	1.3
196.06020	3.1
208.06049	6.4
235.94591	1.3
250.07045	11.1
268.08099	56.5
286.09116	13.6
290.86600	1.6
328.34564	1.4
430.13608	15.1
448.14401	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	610.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47694	0.9
56.96498	6.6
59.22102	0.9
60.08085	7.8
60.90266	1.0
67.05443	1.2
71.07294	2.7
72.08060	2.3
74.49007	1.0
86.09202	1.5
86.09631	20.3
92.10924	1.2
102.92492	1.2
104.10680	100.0
105.11000	1.5
110.28040	1.1
116.12151	1.4
119.24925	1.2
172.95186	9.7
180.95667	2.5
188.36604	1.2
190.96284	9.9
198.96759	35.1
210.96663	1.8
216.97833	35.0
217.37886	1.3
221.98277	1.3
226.79021	1.4
228.97787	9.9
246.98914	1.9
254.99390	1.5
293.17801	2.4
296.05688	2.1
311.18893	24.9
314.06812	12.9
329.19965	12.6
350.45963	1.5
398.31009	1.3
417.16919	2.5
435.17969	4.5
441.88171	1.5
446.90292	1.3
491.20499	5.5
494.24756	1.5
550.28094	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	610.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	30.5
67.05430	88.0
67.40398	4.6
69.06977	37.5
70.99426	5.0
72.43476	4.6
79.05409	44.2
81.06967	100.0
83.08519	13.0
91.05396	37.8
93.06996	44.9
95.04913	7.0
95.08536	92.5
97.06455	6.3
97.10117	9.3
105.06985	13.7
107.08546	43.4
109.10091	35.1
119.08527	24.5
121.10087	25.7
123.11636	8.5
129.63028	6.0
131.08545	9.8
135.08040	6.5
135.11658	21.1
145.10051	6.8
149.13304	7.4
243.21005	5.9
259.20596	7.8
261.22012	10.6
279.23199	49.1
557.45215	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	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99120	2.9
55.05445	20.8
57.93520	2.9
62.53706	3.1
65.59402	3.0
67.05429	41.6
67.30354	3.1
68.78785	3.5
69.06992	23.9
71.08554	4.2
78.40393	3.2
79.05416	34.4
81.06970	47.6
83.08513	12.6
91.05410	21.4
92.10895	3.6
93.06979	37.8
95.04916	3.7
95.08539	30.5
97.06464	5.7
97.10126	3.1
105.06970	22.3
107.08531	12.6
109.10122	7.6
109.99398	2.7
115.38833	2.9
117.06969	13.5
119.08550	19.0
121.10090	7.9
129.06970	12.3
131.08522	21.8
133.10117	17.8
135.11691	4.6
143.08539	18.9
145.10129	22.9
147.11639	6.0
155.08536	4.2
157.10130	13.9
159.11668	15.0
161.13174	4.1
161.65424	3.2
167.08475	4.2
169.10112	6.6
171.11664	17.6
173.13239	6.2
181.10101	6.1
183.11700	5.5
185.13228	7.0
197.13196	5.5
359.51340	3.3
519.41608	5.5
611.46722	100.0
612.46307	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	612.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.8
54.81945	2.0
55.01797	1.9
55.05451	42.4
57.03371	7.3
57.07000	10.0
58.97413	1.8
65.03856	2.3
66.41209	1.8
67.05077	3.4
67.05426	84.7
68.05719	2.4
69.06985	39.4
71.04907	4.8
71.08530	2.7
72.40379	1.7
79.05405	34.5
81.06506	3.8
81.06973	100.0
83.08534	24.3
85.06458	3.3
91.05384	17.7
93.06966	55.9
95.04887	3.4
95.08527	81.8
97.06438	4.2
97.10122	14.7
100.13409	2.0
101.05952	2.6
105.06973	15.1
107.08549	27.0
109.10107	33.7
111.08034	4.3
117.06943	4.5
119.08516	23.9
121.10120	28.0
123.11654	12.7
131.08514	10.5
133.10066	12.9
135.11650	18.7
135.96321	2.0
137.09616	3.2
139.11163	2.2
145.10075	8.1
147.11673	12.0
149.09628	2.6
149.13217	9.3
159.11639	4.5
161.13205	10.4
163.14810	2.9
165.12746	3.1
173.13318	2.9
194.53204	2.0
243.21019	3.4
261.21967	9.9
263.23633	4.8
279.23077	29.0
281.24777	2.6
297.24228	8.6
337.39325	2.0
411.92276	2.3
523.44928	4.7
541.45862	12.9
559.46790	8.4
577.48511	22.6
584.42902	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	613.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	5.5
56.04979	1.1
58.99513	3.6
59.14762	0.6
59.59360	0.6
60.57770	0.6
61.06131	0.6
68.51833	0.7
69.03351	1.5
72.02467	0.7
73.02843	1.1
74.00577	6.2
76.02146	20.4
76.03910	8.1
82.06480	0.7
83.06007	6.1
83.34788	0.6
84.04433	23.7
85.02838	14.9
85.03436	1.3
85.03948	31.8
85.50047	0.6
86.00570	2.9
86.99007	0.7
88.02143	1.1
91.72213	0.7
92.01616	8.4
97.02825	4.1
99.05529	3.3
100.02133	4.4
100.14805	0.7
107.06021	4.4
107.99342	9.8
108.04404	0.9
109.07595	9.5
110.06044	0.7
112.02142	1.1
112.03910	7.5
113.01667	1.5
113.03455	11.7
116.01616	6.7
127.03843	1.6
129.06535	4.7
130.04977	38.2
131.02727	3.4
131.04497	37.5
131.99352	14.5
135.05504	3.4
136.03925	2.8
139.03207	8.4
140.01595	3.1
142.03178	4.1
144.01123	4.3
145.04900	3.3
145.06079	4.0
152.05641	4.0
153.06563	10.8
154.04932	1.6
155.08150	10.7
157.00635	1.1
159.02188	7.8
160.00636	2.7
162.02171	10.8
163.06000	0.9
170.02690	1.2
177.03267	50.4
179.04831	9.8
181.06042	9.6
185.03766	57.2
187.05281	1.5
189.01549	1.1
198.36671	0.9
199.07164	9.6
202.03964	1.1
209.00546	5.6
211.02017	5.8
211.07129	1.0
215.04884	1.2
231.04312	100.0
232.04625	1.6
233.05798	3.2
235.02013	20.9
247.02000	1.0
257.07678	3.8
265.03079	5.7
288.06476	6.0
308.08942	1.4
339.02594	0.9
340.06317	1.1
355.07336	51.8
356.07440	1.1
409.08362	11.4
466.10541	3.0
484.11630	20.7
538.12616	6.6
595.14838	5.3
613.15784	8.1
643.46887	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4822
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03887	1.3
55.01821	2.5
55.05454	30.8
57.03377	4.6
57.07013	6.6
60.73856	1.0
65.03859	2.4
66.32494	0.9
67.05429	53.1
69.06991	25.1
71.04919	1.6
71.08558	5.4
79.05407	22.9
81.06979	47.6
81.07451	2.5
83.08544	11.6
85.06468	1.2
89.05962	4.6
91.05408	27.4
92.10953	2.2
93.06971	32.7
95.04903	4.3
95.08536	34.0
97.06485	2.6
97.10113	5.5
105.06977	33.9
107.08530	17.0
109.10101	16.8
117.06969	16.1
119.08539	34.8
121.10100	8.0
123.11677	4.5
125.09614	1.7
128.06200	1.9
129.06969	9.5
131.08542	33.8
133.08548	1.2
133.10107	12.7
135.11662	5.0
137.13287	1.6
141.07024	4.5
143.08559	18.1
145.10110	31.8
147.11725	6.1
149.13309	4.5
155.08542	11.3
157.10086	15.8
159.11641	10.0
161.13239	9.4
163.14812	2.1
167.08566	2.3
169.10075	9.0
171.11702	9.4
173.13200	8.2
175.14828	7.4
181.10193	2.2
183.11752	5.7
185.13321	6.8
187.14816	9.3
189.16451	2.6
195.11705	4.7
197.13321	6.0
199.14856	6.9
200.35382	1.2
201.16339	8.1
203.17963	1.7
209.13237	1.5
211.14861	5.6
213.16370	4.2
215.17889	2.5
217.19641	1.0
225.16339	1.5
227.18054	1.9
229.19664	1.5
231.21173	1.5
237.16472	1.9
239.17889	2.0
241.19640	1.4
245.22629	1.2
269.22833	1.6
285.22308	1.2
335.21921	1.5
443.71225	1.2
515.36981	1.5
521.43195	10.2
539.44458	4.7
542.75317	1.3
595.47119	14.3
613.48254	100.0
614.48669	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	614.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	1.7
55.01814	3.4
56.96512	0.4
57.03373	5.8
60.61960	0.4
61.02565	0.5
61.02853	11.7
68.81676	0.4
69.03347	18.3
70.41176	0.3
71.04910	2.7
73.02831	3.8
73.34172	0.4
74.00604	0.4
76.02141	2.1
81.03337	8.2
83.06017	0.8
84.04431	3.5
85.02827	100.0
86.03159	0.6
87.04391	3.4
91.03893	4.2
91.83932	0.4
92.01646	0.7
92.10200	1.0
97.02819	29.1
99.04373	3.6
99.05515	0.5
100.42011	0.4
101.02298	0.6
103.03906	0.8
107.99359	0.8
109.02825	8.2
109.07588	0.6
113.03436	0.7
115.03870	0.9
116.01639	0.8
127.02924	0.9
127.03873	22.8
129.06531	0.4
130.04997	3.9
131.04485	3.0
131.05362	0.7
131.99316	1.4
137.04564	2.5
142.51514	0.5
145.04938	29.7
152.05659	2.0
153.06639	0.7
155.08234	0.5
161.01161	0.5
162.02205	1.7
163.05968	13.6
177.03244	5.1
177.21988	0.4
178.03621	0.8
181.05966	0.6
182.06461	0.6
185.03738	5.7
186.04108	2.6
199.07121	0.6
209.41280	0.4
212.02101	0.4
231.04303	9.8
232.04710	2.9
235.02023	1.7
241.07494	0.5
265.03024	0.6
279.03796	0.5
289.09268	1.7
304.78674	0.4
325.11218	7.5
355.07489	3.0
356.07602	2.8
418.77695	0.5
444.57309	0.5
458.06384	0.5
485.11859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01769	3.4
54.81936	4.3
55.83279	3.4
56.96506	39.4
62.76744	2.5
63.14675	3.2
77.89642	3.7
81.31120	3.0
98.97520	45.6
101.15395	3.7
112.99056	7.9
116.35127	3.4
116.98575	62.6
128.98596	6.1
131.00122	37.0
134.99594	46.5
137.67877	3.6
146.99617	5.6
149.01199	73.8
151.47849	3.9
153.00697	7.9
158.01225	3.9
158.99651	29.1
161.01170	22.5
164.86894	3.4
167.02240	24.2
177.00661	60.6
191.02286	16.1
195.01759	7.6
198.14604	3.6
199.02739	6.6
200.02103	3.3
203.02144	5.1
217.03807	6.1
219.01694	5.5
224.02348	3.4
233.03227	4.8
286.00052	3.8
293.05328	30.1
309.85651	3.7
311.06314	4.6
319.19540	26.4
337.20370	100.0
355.21432	4.8
360.22101	4.9
370.59235	3.8
379.21341	18.6
393.22787	4.1
499.25668	4.8
555.28381	81.8
638.60724	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	615.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	2.8
55.05451	37.7
57.03372	8.6
57.07006	13.8
67.05429	68.9
69.06983	37.0
71.08549	3.6
79.05408	46.6
81.06974	73.9
83.04905	1.7
83.08543	20.4
89.05959	13.4
91.05408	32.5
92.10879	4.3
93.06976	56.7
93.07579	1.9
95.04908	3.3
95.08533	59.1
97.06448	2.7
97.10069	11.2
99.37719	1.5
105.06976	33.7
107.08536	34.7
109.10119	20.9
111.11674	3.1
117.06958	14.1
119.08530	44.5
120.68940	1.5
121.10104	19.9
123.11685	7.7
124.44974	1.4
125.09629	1.7
129.06955	3.0
129.49234	1.6
131.08504	21.3
133.08594	2.7
133.10088	24.4
133.10857	1.6
135.11649	11.9
137.13309	2.6
143.08589	10.6
145.10126	21.8
147.11620	12.9
149.09671	2.3
149.13266	8.4
151.32323	1.6
155.08517	3.5
157.10141	10.9
159.11717	10.7
161.13222	13.4
163.14839	2.5
171.11705	8.8
172.86815	1.7
173.13255	6.8
173.98643	1.7
175.14851	8.9
185.13252	3.5
187.14879	3.9
189.16418	3.9
197.13235	2.4
199.14819	2.8
203.17903	3.1
211.14827	2.2
213.16406	2.1
261.22122	2.6
293.61600	2.1
298.45847	1.8
304.01587	1.6
349.23846	1.7
416.25739	2.2
523.45215	2.0
573.94727	1.7
597.48737	10.0
615.49683	100.0
616.50195	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	615.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81395	2.0
55.01802	2.0
55.05454	23.5
56.66695	1.5
57.03367	7.9
57.07004	10.3
66.64108	1.4
67.05428	44.5
69.06985	26.4
70.86394	1.7
71.08543	3.4
79.05399	31.2
81.06976	56.7
83.08532	17.1
85.06396	1.9
85.51436	2.3
89.05943	9.6
91.05408	26.0
93.06973	46.2
95.04905	4.1
95.08534	49.2
97.06437	2.5
97.10077	7.0
102.13731	1.7
105.06975	34.9
107.08537	24.8
109.10125	16.5
111.08062	2.2
115.50462	1.6
117.06967	2.5
119.08537	32.7
121.10101	14.5
123.11665	3.3
129.06972	3.4
131.08549	19.6
133.08517	2.2
133.10106	15.7
135.11668	12.0
137.13205	2.2
143.08542	3.5
145.10104	16.2
147.10587	1.9
147.11627	13.3
149.13234	6.9
157.10135	9.9
159.11665	7.8
161.13243	8.3
163.11234	1.8
163.14720	2.6
171.11644	3.4
173.13219	3.2
175.14809	9.3
177.16281	1.9
183.11713	1.9
187.14818	2.8
189.16441	3.5
197.13260	2.3
199.14810	3.5
201.16292	2.0
215.17857	2.9
229.19644	2.1
243.21074	2.3
469.42838	1.8
519.37506	2.3
519.44910	2.2
523.44617	6.9
524.68115	2.0
597.48328	11.6
615.49915	100.0
616.49231	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	615.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	1.7
53.03895	2.0
53.04152	0.7
53.16875	0.8
54.51114	0.7
55.01797	1.6
55.05449	30.4
55.09212	0.7
57.03368	8.6
57.07005	12.9
59.04937	0.7
67.05426	66.8
69.06986	34.4
71.04900	1.3
71.08549	6.2
79.05405	40.8
81.06975	64.2
83.04881	1.1
83.08535	17.7
85.06485	1.6
85.10140	1.1
88.12234	0.9
89.05951	6.5
91.05412	36.2
93.06971	51.2
95.04900	6.7
95.08527	49.6
97.06487	4.6
97.10075	10.0
99.08055	1.4
105.04509	1.2
105.06966	43.7
107.08534	30.8
109.06501	1.1
109.10105	20.4
109.10787	1.5
117.06969	8.1
117.43322	1.0
119.08533	43.4
121.10093	19.7
123.11663	7.3
129.06937	7.8
131.08513	22.1
133.10095	23.1
135.11670	9.8
137.13239	2.1
139.11188	1.3
141.06963	1.0
143.08559	8.1
145.10097	20.3
147.11656	13.7
149.09581	1.2
149.13277	6.2
151.14793	1.8
155.08597	1.5
157.10143	7.9
159.11676	11.1
161.13226	9.3
163.14801	4.7
169.10167	1.5
171.11719	6.2
173.13242	7.4
175.14810	9.4
183.11681	3.7
185.13287	6.1
187.14804	4.6
189.16380	5.7
191.18011	1.2
197.13251	3.6
199.14818	5.0
201.16385	5.0
203.18062	1.2
211.14885	1.3
215.17943	2.1
217.19539	1.9
225.16373	1.3
243.21225	1.7
245.22813	1.2
261.22003	1.4
285.25592	1.2
300.10492	1.1
329.28442	1.4
335.25891	1.7
341.89075	1.0
342.25995	0.9
472.35904	1.0
523.45129	5.9
597.48651	10.9
615.49731	100.0
616.50201	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	615.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68476	1.1
52.00114	1.1
53.00252	1.5
53.01876	1.1
53.03899	1.5
54.81517	1.2
55.05453	25.2
56.11909	1.2
57.03371	5.3
57.07007	8.2
58.46141	1.4
65.03902	1.9
67.05428	47.8
69.06986	25.4
71.08565	1.9
79.05404	30.8
81.06982	48.4
83.04917	1.9
83.08553	13.0
84.19730	1.2
85.06494	1.8
86.22775	1.4
89.05980	10.1
91.05400	22.9
93.06970	32.9
95.04904	5.8
95.08540	31.8
97.06477	1.9
97.10094	7.2
103.46911	1.4
105.06974	23.5
107.08540	22.1
107.43243	1.4
109.10094	14.4
117.06982	6.9
119.08540	32.2
121.10085	15.1
123.11687	2.8
129.06975	2.8
131.08542	17.8
133.08595	3.4
133.10089	17.2
135.11673	8.0
139.11226	1.7
143.08566	6.1
145.10120	16.5
147.11731	8.4
149.13260	8.2
155.08633	2.0
157.10098	1.9
159.11714	8.4
161.12004	1.6
161.13113	9.8
171.11690	6.9
173.13289	5.5
175.14787	8.1
177.11272	1.9
182.91060	1.4
183.11681	1.9
185.13200	1.7
187.14787	3.1
189.16457	6.1
195.20975	1.5
199.14801	1.7
201.16382	3.3
203.17935	1.8
231.17670	1.6
238.14102	1.5
327.69675	1.6
517.16809	1.7
522.89343	1.4
523.45068	2.7
531.40118	1.9
545.41187	1.6
597.48352	15.1
610.77130	1.7
615.49738	100.0
616.49567	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	615.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	25.3
57.03367	4.7
57.07007	13.5
67.05424	52.4
69.06981	30.8
71.08543	4.5
79.05412	38.1
79.72830	3.6
81.06969	53.5
83.08558	8.8
85.33785	4.0
89.05959	26.4
91.05400	18.3
92.10958	9.0
93.06982	43.4
95.08535	38.0
97.10100	4.7
105.06985	28.6
107.08509	30.5
109.06406	4.1
109.10094	7.7
117.06973	7.8
119.08555	37.4
121.10120	20.2
131.08530	23.9
133.08612	8.0
133.10112	16.7
135.11658	14.7
145.10109	15.4
147.11696	8.3
149.13177	4.6
159.11632	14.7
161.13170	7.3
163.14777	4.5
175.14787	5.0
201.93503	4.3
208.11656	3.6
209.07091	4.3
209.09102	4.1
245.22539	5.1
288.15628	4.2
597.48877	17.9
615.41577	4.6
615.49872	100.0
616.49426	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	616.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	4.7
56.96491	3.3
57.03356	2.5
60.08079	10.0
63.94532	1.6
67.05437	15.0
69.06983	1.9
70.75374	1.8
71.07271	2.6
71.28946	1.9
75.33100	1.8
79.05379	3.4
81.06966	12.7
83.08530	2.0
86.09622	19.0
89.06003	1.7
93.06961	2.8
95.08514	9.3
98.98373	13.0
104.10671	100.0
107.08568	2.0
152.96962	1.8
155.00960	3.2
155.49492	2.0
167.60442	1.9
172.95102	6.2
190.96242	8.3
198.96751	12.4
216.97798	25.2
234.33244	1.8
300.05060	2.4
317.17847	15.7
335.18726	15.7
337.27271	3.5
338.27631	11.1
339.27811	3.2
420.56000	2.7
497.19440	2.5
556.26776	12.8
588.52917	2.2
592.89801	2.2
616.28949	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	616.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	1.2
56.04963	1.0
56.96500	8.5
57.03394	0.6
58.06537	0.7
60.08093	7.5
60.76360	0.5
67.05414	3.3
69.06961	1.0
71.07285	8.6
72.08071	1.2
72.31498	0.5
79.05416	1.3
81.06968	3.2
83.08507	0.5
86.09628	33.9
91.05403	1.0
93.06954	1.3
94.12404	0.6
95.08547	1.3
96.08904	0.6
98.98381	0.9
102.92545	2.1
104.10682	100.0
105.06944	0.9
105.10999	0.8
109.10079	0.7
113.49889	0.6
124.51820	0.5
124.99941	3.9
128.98544	0.8
146.99612	2.7
154.94165	3.0
165.00763	0.6
172.95187	10.8
180.95705	1.4
181.02634	0.8
184.07301	1.4
190.96225	12.6
194.33913	0.6
198.96776	21.6
206.49086	0.9
210.96730	1.2
216.97804	36.8
228.97815	5.1
234.98924	1.1
246.98886	0.8
249.61894	0.6
254.99365	2.2
272.87531	0.8
317.17834	27.2
318.18106	1.0
323.06622	0.6
335.18829	21.9
336.19073	0.6
337.27005	0.8
338.27521	2.5
353.19849	0.8
358.20618	0.9
437.17233	1.0
441.16696	0.9
453.16977	3.7
471.18100	6.4
497.19516	3.3
500.24265	6.9
523.48230	0.8
534.06958	0.7
556.26953	14.7
616.29144	16.6
617.29901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	1.0
55.05445	5.9
56.04968	1.9
56.96495	1.1
57.13216	1.1
64.32883	1.2
68.43621	1.2
69.03354	1.6
70.06508	5.7
72.08070	100.0
72.81091	1.1
72.99094	1.2
74.05987	13.0
77.79810	1.1
81.04462	1.6
84.04421	3.0
84.08059	14.4
85.02825	1.9
86.05994	5.2
90.05487	6.7
91.30206	1.2
96.04391	2.4
97.02807	1.5
109.03955	2.2
110.07108	2.3
113.07075	8.2
114.41401	1.4
115.05032	4.4
129.10193	48.4
131.08119	7.6
137.03465	1.6
141.06564	19.0
141.10258	2.4
147.07687	3.5
153.06590	2.2
157.09686	17.1
159.07629	6.0
169.09650	1.6
170.09210	5.6
183.14787	11.6
185.12798	5.7
188.70049	1.6
195.11282	3.0
198.08684	12.2
211.14464	2.0
213.12231	2.6
214.11850	2.0
252.13332	1.5
255.10805	2.3
269.16022	5.2
270.42438	1.2
291.78595	1.3
296.45325	1.2
315.16629	2.8
318.74915	1.3
326.18204	1.6
354.17697	2.6
372.18625	5.0
404.21082	1.4
409.21756	1.5
443.26135	2.6
453.24417	16.2
461.23276	4.6
471.25314	6.9
599.30884	2.2
617.32770	14.1
644.95276	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	617.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22394	2.3
51.74165	2.5
51.82417	2.6
55.05438	6.2
57.07010	2.6
57.46227	2.5
65.76216	3.3
67.05412	7.7
67.55135	2.8
68.90087	3.0
69.06979	16.2
71.08530	17.0
72.04064	4.9
72.04433	94.3
79.05392	6.3
81.06972	23.8
83.04917	3.0
83.08512	4.8
84.11228	3.5
85.01678	4.1
91.05418	4.7
91.49983	3.0
93.06961	16.4
95.08527	12.9
95.72532	3.5
97.10064	5.4
101.90295	3.3
105.06974	8.1
107.08547	5.2
109.10122	4.5
114.09092	15.0
119.08507	5.1
126.90413	3.0
133.10075	4.7
143.61029	3.6
147.11562	4.2
165.12714	5.9
232.48103	3.7
238.21515	13.2
278.31940	3.4
282.27844	70.5
291.23093	13.6
300.16223	3.4
336.28860	100.0
337.28964	5.7
498.45419	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03175	0.7
54.82267	1.0
55.05453	1.6
56.96502	12.1
57.03369	0.9
58.06529	1.1
60.08096	12.8
67.05413	4.8
69.06981	1.4
71.07291	10.2
72.02158	0.9
72.08074	1.0
79.05424	1.4
81.06969	4.7
85.10082	0.9
86.09628	54.3
89.41410	0.8
91.05418	1.2
91.80841	0.8
92.10892	2.4
95.04862	0.9
95.05449	1.1
95.08526	4.1
98.97523	4.7
98.98362	1.7
102.92571	1.3
104.10681	100.0
116.98561	6.0
117.00275	0.9
124.99975	16.7
128.98586	1.7
131.00146	2.2
133.10118	1.1
134.99632	4.6
146.99635	4.2
149.01195	8.1
154.94154	1.5
161.01109	3.3
165.00679	1.7
170.99530	1.2
172.95232	11.2
177.00719	7.7
180.95659	1.9
181.02591	1.3
182.91447	1.0
184.07303	41.9
189.00679	6.2
190.96271	12.3
198.96774	19.6
203.02187	1.4
216.97813	39.4
219.01761	1.2
221.98418	1.1
228.97795	5.6
239.99223	1.1
240.10049	1.6
254.99251	1.9
261.02701	1.0
293.05399	1.6
319.19174	8.0
321.04828	3.6
337.20398	32.2
355.21179	1.6
360.21933	2.1
473.19305	2.1
499.21182	1.9
502.25882	5.2
558.28552	12.6
618.30646	17.9
618.83514	5.1
619.29565	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66380	0.2
56.04970	0.3
56.19983	0.2
56.96498	5.5
58.06520	0.6
60.08095	8.2
64.89659	0.2
67.05408	0.3
67.93044	0.3
71.06931	0.3
71.07291	4.3
72.08060	0.5
86.09625	18.3
86.41945	0.2
88.65951	0.2
95.08514	0.3
102.92540	1.5
104.10678	100.0
105.11035	0.5
117.86060	0.3
124.99973	0.4
134.99574	0.3
136.93097	0.3
138.84615	0.2
146.99667	0.5
154.94138	1.4
158.28668	0.3
167.92430	0.3
172.57968	0.3
172.95190	6.5
180.95731	1.6
184.07323	0.4
190.96254	6.1
195.96550	0.2
198.96767	15.5
210.96790	0.7
213.97865	0.4
216.97820	26.6
221.98376	0.4
228.97781	3.5
234.98798	1.0
239.99385	0.5
240.10167	0.3
246.98923	0.5
254.99457	1.6
258.04166	0.3
300.05154	0.5
319.19290	4.9
335.18787	0.3
337.20422	23.1
338.20901	1.0
355.21439	1.6
360.22025	1.4
439.19119	0.5
443.18738	0.5
473.19354	2.7
499.20990	2.3
502.25891	3.9
558.28601	9.2
618.30725	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	619.479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.0
55.05449	27.9
57.07013	3.9
66.05958	1.1
67.05429	13.2
69.03378	1.2
69.06984	11.1
79.05436	5.1
81.06978	22.3
81.07445	1.1
82.06507	8.4
83.04928	2.3
83.08539	20.9
84.08070	2.3
91.05431	4.4
93.07000	6.7
95.08524	19.6
97.34835	1.0
98.09629	1.5
100.07581	7.2
100.11185	68.6
105.06993	2.6
107.08557	4.2
109.06506	5.7
109.10149	6.8
110.06019	2.4
111.04375	8.4
112.07619	1.6
119.08556	4.3
121.10144	5.5
123.08107	1.2
123.11771	1.4
126.09174	1.5
128.07066	5.4
133.10089	2.0
134.03300	1.3
135.11702	1.6
139.08647	1.9
140.07062	2.1
147.11719	6.7
149.13319	6.1
161.13260	5.7
175.14746	1.2
182.15364	21.8
209.16420	15.9
209.17966	1.1
210.14902	12.7
226.19165	5.0
231.21101	1.8
249.22189	4.5
266.24741	29.6
266.27451	1.5
328.93161	1.0
340.26373	1.2
340.89413	1.0
348.28989	4.3
349.57315	1.2
375.30045	9.6
376.28607	1.3
392.32712	5.7
393.31097	1.1
492.41623	5.2
601.46680	6.9
619.47809	100.0
620.48083	5.9
645.08417	1.2
646.97058	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54623	0.3
54.81694	0.4
55.05451	0.8
56.04966	0.5
56.96492	2.0
58.06521	0.4
60.08093	8.2
71.07285	3.7
72.08083	0.5
86.09628	17.2
92.10844	0.5
102.92528	0.6
104.10681	100.0
105.11063	0.7
124.99986	0.5
129.66515	0.4
136.93103	0.4
154.94107	1.4
172.95193	7.2
176.01723	0.4
180.95726	1.5
190.96254	7.7
198.96765	20.2
198.98599	0.8
208.97139	0.4
210.96791	0.7
215.54614	0.4
216.97824	32.0
221.98416	0.4
228.97823	4.0
234.98857	0.6
239.99477	1.0
246.98840	0.5
252.69980	0.4
254.99362	1.8
321.21011	2.9
337.20435	0.4
339.22003	17.4
340.22458	0.4
357.23102	3.2
362.23605	0.6
413.19366	0.4
475.21100	3.7
501.22537	1.6
504.27579	3.8
534.80530	0.4
560.30145	6.3
619.29535	0.4
620.32245	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	620.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04967	0.4
56.96498	3.2
57.38695	0.3
58.06522	0.7
60.08096	7.6
70.56674	0.3
71.07290	4.6
72.08043	0.4
78.86035	0.3
83.82474	0.3
86.09626	16.7
87.04373	0.4
102.92538	1.5
104.10684	100.0
105.11023	0.4
154.94159	2.0
163.01511	0.4
171.83401	0.4
172.95184	7.5
180.95731	2.2
190.96249	7.6
198.96770	22.1
198.98602	0.8
210.80707	0.4
210.96742	1.2
216.97821	33.9
221.98314	0.5
228.97792	3.8
230.99306	0.4
234.98865	0.9
236.98412	0.5
239.99417	1.6
254.99382	1.7
258.04031	0.6
273.00317	0.4
321.21057	2.2
339.22028	13.1
340.22235	0.4
357.23038	2.7
362.23676	0.5
376.84656	0.4
445.20303	0.7
475.21310	3.2
501.22913	2.5
504.27408	4.5
560.30145	8.5
620.32312	13.0
621.33136	0.4
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
53.03891	10.5
55.01799	6.2
55.05450	22.1
57.03359	6.4
67.05425	48.7
69.03347	16.1
69.06985	16.4
69.32410	2.3
69.56738	3.0
71.04898	10.5
73.02818	2.7
76.55735	3.0
79.05408	54.7
81.03333	14.9
81.06972	60.3
82.30618	2.2
83.08530	5.2
85.02828	13.5
85.98080	2.1
86.09579	2.9
91.05405	31.8
93.06971	60.4
95.04882	5.1
95.08533	57.4
97.02822	100.0
97.06393	3.2
97.10088	3.5
99.04380	45.0
104.10659	4.8
105.06962	21.8
107.08517	23.5
109.02824	12.5
109.10089	17.5
117.07000	6.6
119.08551	21.4
121.10107	25.9
123.11672	4.2
127.03867	24.8
131.08504	15.9
133.10078	13.5
135.11649	16.7
145.04962	16.4
145.10098	6.1
147.11661	3.9
149.02324	12.5
149.13286	4.9
159.11679	5.8
161.13171	3.0
168.65712	2.7
179.20920	2.8
243.21065	3.0
261.22122	24.5
279.23166	3.9
309.99200	3.2
417.94547	3.1
423.27344	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	620.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96823	1.7
53.00245	1.8
53.03891	15.2
54.82239	1.6
55.01811	30.3
55.05210	2.2
55.05453	26.4
56.64156	1.6
57.03366	13.7
60.32731	1.8
61.02849	2.4
65.03856	3.0
67.05429	82.1
69.03347	73.1
69.06985	15.9
69.07283	1.6
71.04904	19.6
71.90610	1.5
73.02839	17.8
79.05408	53.2
81.03335	72.2
81.06975	86.8
83.04896	7.9
83.08528	8.8
85.02818	36.0
91.05405	37.2
92.10187	5.5
93.06973	70.9
95.04880	9.2
95.08533	60.8
96.08817	1.8
97.02821	63.5
97.06469	3.0
99.04391	100.0
101.02306	3.9
105.06970	25.9
107.08528	36.2
109.02828	54.2
109.10096	26.4
111.04376	9.8
117.06963	12.2
119.08533	15.9
120.49629	1.8
121.06419	2.3
121.10101	28.4
123.08028	2.8
123.11646	13.7
127.03875	98.1
131.08536	15.2
133.10107	15.4
135.11620	18.3
137.13161	2.9
139.11182	1.8
143.08582	2.8
145.04932	13.1
145.10092	8.8
147.11664	10.4
149.13220	10.4
159.11659	3.8
161.13232	8.5
163.14809	2.3
172.08928	2.0
173.13135	8.0
175.14742	2.1
187.14842	3.3
241.19568	2.3
243.20975	3.9
254.79745	2.8
259.20496	2.8
261.22079	19.4
277.21591	4.0
279.23065	3.1
357.24326	2.3
369.24039	8.0
387.25027	6.8
405.26117	7.7
423.27261	64.6
620.22992	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	620.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02614	0.5
55.05453	8.3
55.18865	0.5
57.07007	1.3
62.05719	1.0
62.06017	23.6
65.63121	0.4
66.09657	0.4
67.05124	0.8
67.05433	13.4
69.06992	8.9
71.08523	0.8
78.34446	0.5
79.05407	4.3
79.53484	0.5
81.06974	14.0
82.10693	0.5
83.08551	3.9
85.05196	2.4
86.05997	0.6
91.05404	2.4
93.06950	3.6
95.04899	0.6
95.08531	7.9
97.10075	0.9
98.05988	13.4
100.58910	0.6
104.15945	0.6
105.06968	2.7
107.08544	2.3
109.06461	0.8
109.10114	3.9
112.07543	1.0
121.10067	2.0
133.10088	2.1
137.34576	0.6
138.09145	0.6
140.10712	0.5
177.75751	0.5
273.18527	0.9
306.27856	100.0
307.28326	5.7
324.28906	10.6
325.29077	0.5
425.36661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62537	0.7
52.51270	0.7
53.03896	0.9
54.81464	0.8
55.05443	5.1
57.07015	76.1
65.03854	1.0
66.25670	1.0
67.05418	1.4
77.72532	0.9
79.05396	1.1
83.04911	13.7
91.05417	10.5
93.06997	1.2
95.04919	2.0
104.06154	0.9
105.06969	5.4
115.05429	2.0
117.06982	3.7
119.02601	1.0
119.08553	4.5
121.10096	1.7
122.32194	0.8
128.06158	6.5
129.06973	4.2
130.46025	0.9
131.04932	0.9
131.08524	6.1
132.09325	2.0
141.06976	18.4
142.07741	4.1
143.08542	10.6
145.10155	1.4
147.02031	19.2
147.08095	1.2
147.10620	1.6
147.11679	27.8
147.12779	1.7
151.13435	1.0
159.08009	19.0
161.09569	1.7
161.13228	1.1
165.03127	5.2
169.07698	1.2
175.01521	9.3
175.02960	2.6
187.03026	6.5
193.04128	3.3
195.05707	1.3
197.13225	1.9
205.04103	6.0
211.05214	3.9
213.16434	3.1
215.14345	11.6
220.31163	1.0
220.97531	1.0
223.05153	100.0
224.05496	1.5
227.04585	1.5
239.04617	1.6
241.06229	16.9
241.19437	3.9
243.17436	3.8
244.99702	4.1
271.20483	15.7
279.11414	23.5
286.87173	1.0
297.12503	6.8
310.30951	1.1
321.02887	1.4
327.64130	0.9
335.17682	13.0
383.38864	1.0
397.05899	6.3
433.15118	1.5
453.12192	14.2
499.67612	0.9
509.18433	51.7
510.18814	3.9
565.24640	17.4
566.24634	1.9
621.31000	32.2
621.40601	1.9
622.31104	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	621.6291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30954	0.7
53.00238	1.2
53.18497	0.8
53.26312	0.9
54.19505	0.9
55.01804	1.2
55.05442	6.0
56.23470	0.8
57.07011	9.2
60.08085	1.5
63.45011	1.0
67.05412	2.1
69.06998	7.5
71.08559	1.4
72.04433	100.0
73.04755	1.6
79.05415	1.5
81.06964	2.3
83.08530	7.7
85.10088	1.3
86.09620	12.5
88.07554	4.7
91.05403	1.2
93.06966	2.0
95.08554	3.6
97.06486	1.3
97.10100	2.3
102.09146	0.9
105.06960	1.2
111.08035	1.2
114.09113	8.6
120.47578	1.1
124.99978	9.8
128.10674	5.9
142.12260	5.3
145.38225	1.0
156.13783	3.6
184.07339	29.0
254.24564	1.1
256.26392	9.5
298.30740	1.1
310.30991	92.4
311.31332	11.1
312.32523	26.2
313.32974	1.2
414.75183	1.0
551.91211	1.1
639.80408	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01810	2.9
55.05450	6.4
57.03377	3.4
57.05770	0.3
61.02855	5.9
65.14027	0.3
69.03349	9.4
70.06474	0.4
71.04906	0.5
72.08069	100.0
73.02825	3.3
73.08398	0.3
81.03326	1.6
85.02826	35.7
86.03149	0.3
87.04385	0.3
91.03884	5.8
97.02824	13.8
99.04392	3.0
101.02338	1.6
109.02819	3.2
115.03889	1.3
118.08601	41.3
127.03870	23.9
145.04932	16.0
145.06082	0.4
163.05975	12.2
179.12772	0.3
253.06960	0.4
259.08127	0.6
289.09152	1.3
325.11145	3.5
357.30417	0.3
378.63223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06998	0.8
58.06524	0.8
60.08100	8.6
66.81013	0.6
69.60075	0.7
71.07288	3.4
74.52944	0.8
80.48264	0.7
81.43938	0.7
84.18349	0.7
86.09629	18.6
97.68805	0.8
99.85989	0.7
102.92539	1.1
104.10685	100.0
117.40101	0.7
127.49996	0.8
154.94128	1.3
155.19771	0.7
162.48410	0.8
163.19519	0.9
172.95195	9.5
180.95712	1.7
190.96249	7.7
195.96771	0.8
198.96762	26.6
210.96667	1.1
216.97829	40.9
221.98260	1.8
228.97852	3.7
234.98947	1.0
239.99348	1.1
302.93137	0.9
333.75586	0.8
341.23737	1.5
348.17413	0.8
359.24551	1.5
477.22501	1.0
506.29208	4.2
562.31458	4.6
622.33716	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	622.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	1.9
53.03876	8.1
55.01801	11.4
55.05449	20.8
57.03376	6.8
57.07009	3.8
60.82559	1.6
61.02831	1.9
62.87883	1.4
67.05077	3.3
67.05428	83.2
69.03353	15.8
69.06993	22.9
69.35246	1.5
71.04884	8.3
73.02822	4.0
79.05408	27.3
81.03326	11.1
81.06503	3.7
81.06973	82.2
83.04884	3.6
83.08539	15.7
84.70945	1.6
85.02824	15.8
86.09618	2.7
91.05402	8.6
93.06980	28.4
95.08535	63.9
97.02232	3.8
97.02828	100.0
97.06440	3.1
97.10086	8.4
99.04385	38.7
104.10666	3.0
105.06963	8.9
107.08537	15.2
109.02826	14.0
109.10102	19.6
119.08537	13.4
121.10093	13.3
123.08065	2.2
123.11658	10.7
127.03883	24.9
131.08528	2.3
133.10101	13.1
135.11641	9.1
137.13214	4.2
145.04953	18.7
147.11656	4.1
149.13226	2.5
161.13213	3.8
163.14822	2.3
175.14757	4.3
184.07211	2.4
216.97752	1.9
245.22510	7.6
263.23697	32.8
281.16785	1.9
361.87228	2.2
389.26508	2.6
391.85974	1.8
425.28931	43.5
553.33789	2.0
644.32098	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	622.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	2.2
53.03884	14.9
54.28949	0.9
55.01814	30.0
55.05223	1.4
55.05455	21.9
57.03371	10.1
57.07004	5.8
61.02850	2.2
64.77896	0.9
65.03855	1.4
67.01790	1.3
67.05428	87.3
69.03348	51.5
69.06651	1.5
69.06988	25.2
71.04909	19.3
71.08533	2.5
73.02841	13.8
76.56331	1.0
79.05408	26.1
81.02849	2.0
81.03334	68.1
81.06974	80.0
83.04879	4.3
83.08543	18.1
85.02827	27.6
85.06425	1.0
91.05400	20.1
92.10970	2.2
93.06969	27.5
95.04906	4.7
95.08527	59.1
97.02821	49.9
97.06476	2.0
97.10080	6.3
98.86060	0.9
99.04386	92.9
99.08025	2.2
101.02299	3.9
103.60519	1.2
105.06953	10.8
107.08553	15.4
109.02827	47.1
109.06435	1.3
109.10101	22.4
111.04382	6.7
111.08003	1.1
111.11611	1.7
117.07016	1.9
119.08531	10.5
121.10104	13.5
123.11630	9.9
127.03873	100.0
128.04140	1.3
129.05429	1.1
131.08473	1.7
133.10110	9.6
135.11647	5.9
137.13225	2.3
143.08572	1.2
145.04932	17.4
145.10077	1.1
147.11650	5.3
149.13231	4.0
151.14722	1.3
161.13217	5.8
163.14735	4.2
175.14859	2.3
243.21091	1.9
245.22507	5.9
261.22037	5.8
263.23636	18.3
279.23004	4.1
305.24512	1.4
317.24872	1.2
333.24277	1.2
341.24661	1.2
353.24518	1.6
359.25699	1.9
371.25830	11.6
389.26639	5.3
407.27759	15.8
425.28836	46.4
426.29184	1.7
579.27734	1.1
654.39606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20178	0.7
56.04985	0.5
56.92068	0.5
69.03352	2.6
70.06525	6.8
70.38120	0.6
71.14017	0.7
72.08081	0.9
77.01315	0.5
80.79620	0.5
81.03330	3.3
84.04427	1.5
84.08070	2.7
85.02828	5.5
89.03838	7.3
92.11003	0.7
97.02834	1.0
107.04980	0.6
107.38119	0.7
109.02913	0.8
110.07115	4.2
113.58159	0.6
117.03337	19.7
119.04905	1.0
134.03568	0.9
135.04395	3.3
136.06181	0.9
136.07590	1.2
141.69279	0.6
145.02829	71.3
149.05972	10.8
174.40453	0.6
177.05440	100.0
178.05791	1.4
179.01440	0.7
181.04945	0.8
186.05412	0.7
272.20706	0.7
321.09616	2.7
324.63150	0.7
339.10516	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	624.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80332	1.7
53.00251	2.7
53.03882	4.7
53.62310	1.7
55.01811	4.6
55.05455	23.4
55.96159	1.8
56.46022	1.9
57.03370	9.3
57.07009	10.0
57.13850	1.9
59.84206	2.0
61.02851	3.2
67.05425	27.8
69.03340	20.2
69.06990	39.3
71.04898	9.6
71.08547	4.9
73.02846	3.4
79.05408	9.7
81.03342	13.0
81.06976	34.2
83.08537	27.2
85.02814	19.8
93.06973	21.1
95.08528	38.6
97.02821	100.0
97.06477	2.0
97.10098	18.6
99.04376	30.1
104.10696	9.3
107.08537	11.4
109.02853	13.8
109.10095	16.6
111.11653	4.5
121.10073	18.5
123.11652	3.6
126.70194	2.0
127.03868	26.5
127.20277	2.0
135.11641	13.8
136.23351	2.1
145.04956	17.2
149.13252	8.6
247.24129	4.8
265.25214	27.8
283.26395	2.8
373.27078	2.3
409.29376	3.2
427.30411	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	4.1
55.01815	17.8
55.05457	24.1
57.03373	15.6
57.07016	16.1
58.26414	1.9
58.67419	1.8
61.02855	4.1
67.05121	2.3
67.05427	38.9
69.03008	3.0
69.03349	73.3
69.06644	2.4
69.06988	35.2
71.01251	1.8
71.04923	6.3
71.08530	4.0
73.02812	11.1
79.05409	21.9
81.03339	43.9
81.06522	1.8
81.06977	43.1
83.01266	2.3
83.04894	3.1
83.08547	23.9
85.02829	100.0
85.03344	3.4
85.10092	3.6
87.04322	2.0
89.05918	1.8
91.05399	11.4
93.06979	23.4
95.04895	7.8
95.07966	2.4
95.08533	34.7
97.02818	42.0
97.06441	3.3
97.10105	13.8
99.04372	10.3
101.02312	3.2
105.06965	11.1
107.08543	17.2
109.02832	11.1
109.10107	19.6
111.04342	2.7
111.08013	4.3
111.11646	2.6
115.03827	2.5
117.06960	2.3
119.08507	9.6
121.06448	4.2
121.10094	20.1
121.90813	2.2
123.04368	3.3
123.11641	4.0
127.02934	2.6
127.03868	57.4
131.08549	3.8
133.10056	3.7
135.07971	2.8
135.11653	11.4
135.73097	1.9
143.08528	3.1
145.04964	22.7
145.10095	2.9
147.11641	7.6
149.13272	3.8
159.11723	2.6
163.14738	2.3
180.08636	4.4
207.17467	2.3
212.21318	2.8
235.20453	2.2
263.76404	2.1
265.25146	8.9
305.24811	2.7
307.25983	2.2
319.26178	2.7
323.25500	3.4
345.27756	2.8
355.26193	4.8
373.27298	19.6
391.28348	42.2
396.07086	2.4
409.29422	52.1
427.30212	15.6
624.29327	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	624.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	13.0
55.01814	22.8
55.05449	30.7
57.03361	8.2
57.07005	10.9
60.55039	1.6
61.02855	2.8
67.05428	31.9
69.03350	42.0
69.06989	37.2
71.04899	16.6
71.08548	9.0
73.02821	13.8
78.00481	1.7
79.05399	11.7
81.03335	63.0
81.06970	34.7
83.04898	2.4
83.08537	24.8
85.02832	26.4
86.09618	12.7
93.06982	20.8
95.08533	37.3
97.02812	50.2
97.10113	15.1
99.04384	84.5
101.02343	2.6
105.06933	3.1
107.08507	11.4
109.02824	44.1
109.10108	19.4
111.08043	3.1
111.11666	2.9
121.10109	22.5
123.11655	4.6
124.99973	8.7
127.03871	100.0
135.11639	16.7
145.04901	14.6
149.13245	4.8
177.16174	2.1
178.99635	2.3
184.07289	27.7
184.95477	2.2
247.24164	3.1
265.25195	13.2
355.06702	2.2
361.27252	4.1
373.27258	11.2
391.28149	3.0
409.29330	28.3
427.30450	53.6
471.44000	2.5
536.58917	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	624.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53568	6.5
55.05437	34.9
57.03363	14.3
57.03950	6.4
57.06999	11.9
58.38584	6.3
59.06046	16.2
60.05577	16.5
67.05420	84.1
69.06976	47.6
69.77566	6.0
71.08543	9.8
79.05429	56.6
81.06574	8.4
81.06977	100.0
83.08536	14.2
89.48240	7.0
91.05401	10.7
93.06969	66.6
95.08528	66.6
105.06977	14.5
107.08517	30.9
109.10081	42.8
112.72218	7.0
121.10088	34.9
123.11660	10.4
133.10040	10.0
135.11710	14.4
139.75818	7.6
149.13289	11.4
244.35587	8.1
261.22293	9.3
311.25699	42.1
335.25696	68.7
337.27106	12.1
571.46899	30.4
593.70068	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	625.1764
Annotation	Nervilifordin B
Peak:m/z	Relative Intensity
53.03900	0.2
55.01828	0.1
55.05459	0.5
56.04983	0.5
57.03388	0.3
60.04469	0.2
61.02880	0.5
62.39025	0.1
63.84232	0.1
69.03349	1.6
69.07011	0.3
70.06514	3.8
70.06888	0.1
71.04913	0.2
72.08064	1.1
73.02868	0.1
74.06029	0.2
74.74049	0.1
76.07847	0.1
78.03383	0.1
80.69926	0.1
81.03326	1.1
81.07020	0.5
83.06065	0.2
83.20678	0.1
84.04438	1.6
84.08063	2.5
85.02827	2.8
85.03271	0.1
86.09630	1.1
87.04420	0.1
88.03979	0.1
91.05432	0.6
92.90784	0.1
93.04450	0.1
93.07002	0.5
95.04919	0.5
95.08580	0.1
96.04417	0.2
97.02840	1.4
98.05999	0.1
99.04400	0.2
100.11230	0.2
101.07133	0.2
102.05492	0.2
104.05223	0.1
106.02873	1.2
109.02844	0.7
110.07107	1.2
112.08714	0.1
115.08699	0.2
116.07098	0.1
117.03355	0.2
120.72237	0.1
121.10065	0.1
124.03909	3.7
124.04733	0.2
125.04284	0.5
125.05933	0.2
127.03912	0.6
129.10207	0.8
136.07629	0.2
145.02855	0.8
145.04967	0.3
146.03204	0.1
147.04440	0.2
149.05971	0.2
151.03912	0.6
153.01776	1.0
171.02892	0.6
175.03879	0.5
177.05495	0.5
181.13853	0.1
184.77782	0.1
198.12909	0.1
207.06500	0.2
229.04898	0.1
258.05176	12.5
259.05606	0.5
268.08221	1.4
269.08511	0.5
286.04669	42.2
287.05038	1.6
301.07013	100.0
302.07361	3.4
397.51001	0.1
463.12250	9.5
464.12601	0.6
625.17273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.6
55.01804	0.8
55.05424	0.6
56.04965	1.6
56.16051	0.4
56.42792	0.3
57.03361	1.5
58.21456	0.3
60.04449	0.6
66.77704	0.3
67.05386	0.4
68.99696	0.4
69.03334	2.3
70.06508	9.2
71.06825	0.4
72.08057	2.2
81.03323	2.1
82.05200	0.4
83.05997	1.4
84.04435	4.2
84.08067	5.2
85.02817	5.4
86.09589	1.9
88.03915	0.4
91.05397	2.0
93.04482	0.5
94.84872	0.4
95.05995	0.6
97.02816	2.3
97.04477	0.3
97.67921	0.4
99.04407	0.5
101.07075	0.9
103.05425	0.4
104.05254	0.5
109.02838	1.7
110.07109	7.7
112.08630	0.5
112.26746	0.4
115.08623	0.5
119.04898	0.5
120.08028	0.6
121.02821	0.8
124.03874	0.6
125.05964	0.5
127.03866	0.9
129.10208	0.9
130.06458	0.5
136.07536	1.8
141.01758	0.5
149.02206	0.5
149.05927	2.6
151.03871	5.4
153.01637	0.4
160.07509	0.8
163.03902	0.4
165.01793	7.6
167.03394	2.1
172.03954	0.4
175.03876	2.1
181.04840	0.5
183.02850	7.4
187.03926	0.5
191.03490	0.7
193.05157	0.4
195.02872	2.0
199.50565	0.5
202.08620	0.6
205.04881	0.7
215.03354	0.5
227.41954	0.5
243.02661	0.4
243.06491	0.5
258.05109	0.6
259.05875	0.4
261.03787	0.7
268.07492	0.7
270.05234	2.1
271.05951	1.6
272.06693	0.6
282.05157	4.2
286.04672	2.1
296.06732	8.2
297.07498	4.9
298.04660	18.3
299.05374	1.6
300.06134	4.8
301.06973	5.5
308.06680	0.7
309.07391	0.7
310.04614	5.4
310.08313	4.4
311.05420	0.7
311.08948	5.9
312.06107	0.8
313.06989	100.0
314.07593	8.3
320.06638	2.0
324.02585	0.7
324.06149	13.7
325.06958	7.2
325.10727	1.5
327.08551	3.2
328.05704	16.8
329.06354	0.4
335.09070	2.0
336.06235	1.7
337.06918	2.0
338.07776	7.7
339.04871	2.2
339.08530	16.8
340.08823	0.6
341.06277	0.5
343.08047	66.4
344.08481	2.6
348.06149	1.9
350.07516	0.5
351.08453	1.9
352.05563	0.7
353.06488	1.0
353.10110	15.3
354.10342	0.6
355.08310	0.7
363.08533	3.6
364.05716	2.4
366.07080	0.9
367.08041	33.2
368.08228	2.0
376.05725	2.0
379.08112	11.1
381.09647	2.8
391.08060	10.1
394.06592	2.3
397.09070	15.7
398.09222	0.7
409.09082	16.6
427.10126	17.4
428.10782	0.6
445.11176	23.3
446.11649	2.1
463.12161	5.4
505.13272	1.9
529.13281	0.7
559.14191	1.6
598.42206	0.5
607.16089	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	625.1761
Annotation	6-Methoxykaempferol 3-robinobioside
Peak:m/z	Relative Intensity
53.03883	0.3
55.01802	0.3
55.05438	0.8
56.04984	0.5
57.03371	3.2
59.04918	0.3
61.02850	1.2
61.94509	0.1
65.03860	0.2
67.05405	0.6
69.03346	3.1
69.06979	0.4
70.02895	0.1
70.06512	3.8
70.45941	0.1
70.65673	0.1
71.01254	0.2
71.04907	13.3
71.06821	0.2
72.08059	0.7
73.02805	0.6
74.05994	0.2
75.04387	0.6
79.05394	0.2
81.03352	1.1
81.06973	1.7
83.04902	1.0
84.04421	1.3
84.08072	2.3
85.02827	19.0
85.06455	0.3
86.03133	0.1
86.09622	0.9
87.00730	0.3
87.04369	0.6
91.03893	0.2
91.05399	0.3
92.02550	1.1
93.03324	1.3
93.06970	0.6
95.04898	1.3
95.08531	0.8
97.02831	1.9
99.04339	0.2
100.11170	0.8
105.06980	0.3
106.02841	0.3
107.08505	0.6
109.02810	0.9
109.06442	0.2
109.10098	0.3
109.79270	0.2
110.07114	1.1
111.00726	0.2
111.04374	0.3
120.08050	0.6
121.02817	1.4
123.11685	0.2
124.03921	1.2
124.48280	0.2
125.09574	0.1
126.03103	0.1
127.03882	0.9
129.05434	1.8
129.10202	0.9
131.08437	0.1
133.02893	0.2
135.04349	0.2
136.07571	0.3
137.02248	0.2
137.41867	0.1
138.09192	0.1
139.03877	1.2
145.02841	0.1
145.04941	0.3
147.04382	0.2
147.06531	0.3
147.11700	0.2
151.03850	0.8
153.01799	8.0
165.01808	0.7
173.13110	0.2
177.05449	0.6
182.15489	0.2
183.02853	0.2
200.04794	0.2
201.05452	0.7
203.03389	0.3
210.09070	0.2
217.04843	0.5
218.05685	0.3
228.04108	1.3
229.04884	3.6
245.04344	1.1
246.05219	2.1
246.07489	0.3
253.21584	0.3
257.04349	2.9
258.04752	0.2
260.02948	0.2
261.07550	0.2
273.03934	2.0
274.04666	5.2
279.16714	0.1
284.03162	0.6
285.03851	5.3
286.04153	0.2
287.23508	0.2
288.06216	0.2
301.03516	0.3
302.04147	16.0
303.04373	0.9
305.24530	0.2
317.06485	100.0
318.06824	5.5
479.11737	0.2
517.81580	0.2
520.76740	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1761
Annotation	Quercetin 3,4'-dimethyl ether 7-alpha-L-Arabinofuranosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
54.76552	0.5
55.05453	0.5
57.03367	0.6
58.90219	0.5
69.03340	1.2
69.06969	0.9
70.06510	9.3
72.08051	1.0
73.33490	0.6
84.04420	1.3
84.08064	4.3
85.02818	0.8
86.09601	0.8
90.44231	0.6
92.84200	0.6
93.06996	0.6
95.04920	1.3
95.08486	0.7
97.02798	1.0
106.02850	1.2
109.02805	0.8
109.10141	0.6
110.07114	1.0
120.08047	1.2
124.03915	1.3
129.10149	1.3
143.18912	0.5
146.17311	0.5
153.01755	0.9
193.38940	0.5
241.04771	0.6
242.05653	2.6
258.05069	1.2
264.63092	0.6
270.05148	11.3
273.03647	2.6
286.04572	2.5
287.05441	5.5
301.03305	3.2
302.04144	3.0
315.04932	47.8
316.05615	6.5
331.08051	100.0
332.08578	4.1
480.34210	0.7
566.56171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00495	3.6
60.43214	3.8
67.05433	4.1
69.06964	5.1
102.73813	4.2
103.01805	4.3
104.10638	4.9
122.65358	3.8
149.02306	69.9
149.03389	8.5
163.03851	100.0
163.05061	6.1
193.04919	57.1
207.06442	84.6
237.07465	33.6
300.32928	4.2
385.09134	8.9
399.10663	10.6
429.11603	21.5
477.91507	4.8
591.14886	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	626.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13266	0.6
53.03891	6.8
55.01797	0.7
57.03374	2.4
59.04982	0.6
61.02852	4.7
66.58941	0.7
69.03352	16.1
71.04913	6.6
73.02841	5.5
81.03334	23.1
83.04893	1.0
85.02827	71.3
87.04405	1.6
97.02822	42.1
99.04385	59.4
101.02291	0.8
103.03877	82.6
105.31615	0.6
109.02832	30.3
111.04384	0.7
115.03889	1.2
127.03873	100.0
128.04266	1.2
140.19810	0.7
145.04935	37.7
163.03900	1.1
163.05984	29.3
169.04959	1.2
177.05505	1.0
187.05894	1.3
199.06099	0.8
205.06989	1.2
207.06465	0.8
218.26399	0.7
237.03218	0.7
271.08081	10.6
289.09152	7.1
307.10190	15.6
346.30447	0.8
523.15222	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17479	0.6
53.03880	4.5
54.62989	0.6
55.01809	1.1
55.05449	0.9
57.03377	5.7
58.81299	0.6
61.02851	4.5
62.04019	0.8
64.33884	0.7
69.03345	13.1
70.06494	5.0
71.04903	6.3
73.02824	10.3
81.03333	21.6
83.04883	1.2
84.04410	1.1
84.08079	1.6
85.02823	74.4
87.04419	1.2
91.03870	1.0
97.02825	44.9
99.03724	1.3
99.04382	63.0
103.03876	93.2
109.02829	32.4
109.03603	0.8
115.05421	1.5
124.03938	1.1
127.03873	100.0
136.07590	0.9
139.03889	1.1
145.04935	32.5
147.04453	5.3
161.05927	1.0
163.06006	11.2
169.04890	1.4
171.04356	1.1
177.05383	6.8
181.04918	1.1
187.05965	2.9
187.48741	0.9
189.05391	1.3
199.03947	1.0
203.06966	3.8
205.07069	1.8
207.06473	13.3
218.17068	0.9
231.06500	8.7
237.02809	0.9
247.08142	8.8
249.07535	10.2
253.06978	1.1
267.08560	1.5
271.08081	9.9
289.09119	7.0
307.10263	3.5
325.40906	0.8
379.86218	0.8
393.12073	1.4
393.94916	0.8
515.18677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	3.2
54.81426	1.3
55.01811	1.8
55.05452	2.9
55.47911	1.6
56.11288	1.3
56.38084	1.5
56.79697	1.6
56.96454	1.8
57.03376	2.1
60.63667	1.5
61.02845	7.4
61.05183	1.7
62.92043	1.7
69.03342	23.8
69.85611	1.8
70.06490	7.6
71.04892	6.7
72.08059	8.5
73.02825	7.8
81.03339	18.6
83.04961	2.1
83.23956	1.7
84.04454	1.8
84.08086	2.8
85.02826	86.1
85.92065	1.7
87.04378	3.4
91.61031	1.9
97.02822	46.9
99.04382	43.7
103.03876	85.3
109.02828	21.5
110.07090	2.2
124.03891	2.0
127.02927	4.2
127.03872	100.0
127.19205	1.7
133.29268	2.0
144.08029	2.8
145.04930	42.9
147.04395	2.6
151.03889	6.4
163.05972	39.3
177.05432	8.9
185.08009	2.3
200.69424	2.4
207.06494	4.2
237.02475	2.3
255.45345	1.8
267.08517	2.9
269.11218	1.8
271.07968	4.1
289.09198	3.5
301.11938	24.7
302.12231	10.2
307.10092	11.1
347.13089	3.7
351.22314	1.7
493.97800	2.0
640.56592	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	627.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	3.1
57.03366	6.3
61.02858	13.0
69.03356	23.5
71.04904	1.8
73.02827	7.7
81.03315	7.2
85.02826	100.0
87.04401	2.2
91.03887	2.2
96.21483	1.4
97.02814	31.7
99.04383	2.1
103.03870	16.6
109.02831	27.7
119.04893	10.5
125.02336	26.2
126.02632	3.1
126.36243	1.5
127.03869	21.2
130.06491	5.3
132.04382	1.9
133.02829	15.8
136.06174	7.8
137.05956	5.5
140.04663	65.9
141.04987	10.6
145.04953	22.4
147.04388	24.3
153.04338	1.6
153.05399	11.3
157.07549	2.6
158.05986	2.2
161.05936	11.6
163.05956	8.9
165.05408	11.0
168.43362	1.3
171.04329	1.8
175.03859	7.1
175.08696	2.2
177.05438	51.9
179.06987	7.2
185.50230	1.3
189.05380	15.0
192.04152	9.3
193.04814	1.3
203.06851	2.3
203.08408	1.7
205.04817	4.2
207.06506	30.5
231.06502	11.7
249.07471	8.1
267.08563	29.0
325.11429	1.5
361.63531	1.5
503.65250	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	627.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67443	3.2
55.05462	29.8
57.03376	9.2
57.06780	3.5
57.07018	69.7
64.32744	4.3
67.05425	76.8
69.06981	28.6
71.08239	4.4
71.08553	71.7
74.00210	3.5
79.05396	24.6
81.06969	100.0
83.08537	20.2
85.10120	43.9
89.05953	5.8
91.05389	17.3
92.90843	4.5
93.06971	28.0
95.04897	5.3
95.08531	75.9
97.06448	5.4
97.10095	8.6
99.08023	8.4
99.34421	3.7
103.95065	4.0
105.06954	9.4
107.08537	9.8
109.10095	25.7
113.09597	6.4
117.06961	4.3
121.10087	19.4
123.11662	6.4
131.08562	5.9
133.10104	7.3
135.11670	5.9
147.11594	9.6
189.42291	4.4
243.20863	4.4
261.22110	6.1
279.23148	30.4
313.27280	57.6
314.27646	4.6
338.10703	5.1
348.69785	5.2
353.26746	37.7
363.36078	6.1
484.63599	4.1
591.49670	50.0
609.50531	15.1
627.45752	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	628.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.6
55.01798	0.8
57.03366	2.1
57.42258	0.3
60.68014	0.3
61.02847	0.7
65.03866	3.0
67.05403	1.3
69.03350	7.8
70.06501	2.3
71.04900	0.5
73.02821	0.7
78.03362	4.2
80.04931	1.6
81.03338	7.1
82.04105	0.9
84.08071	0.5
85.02824	15.1
90.39217	0.3
95.04881	1.8
96.04398	4.1
97.02821	6.1
97.06490	0.5
99.04364	1.3
99.14170	0.3
102.57734	0.3
106.02857	22.9
107.03175	0.4
108.02009	0.7
109.02837	5.6
110.03610	1.4
110.07120	0.7
111.04395	1.4
124.03910	100.0
125.04263	1.9
125.05915	0.7
127.03874	3.0
136.07495	0.3
138.03093	0.4
140.03720	0.3
140.04671	2.9
142.02606	0.6
145.04932	0.7
166.04945	0.7
171.06514	5.2
181.04919	46.3
182.05284	1.7
226.06836	0.4
232.06065	1.9
250.07047	4.4
268.08096	51.3
269.08298	2.4
269.41467	0.3
394.11349	0.6
430.13159	1.6
466.13315	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	628.356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86271	1.5
57.07008	8.0
57.59362	1.3
60.08104	7.5
63.20079	1.3
67.05428	2.2
69.06996	2.3
70.96310	1.2
71.07285	2.2
71.08542	6.1
74.15089	1.2
81.06976	1.9
86.09623	26.3
86.85706	1.4
104.10681	100.0
109.10085	1.8
129.33690	1.6
146.98149	19.4
203.00827	3.0
262.62994	1.4
273.12662	1.6
341.30481	11.6
465.23419	27.0
487.27850	30.8
505.06985	2.0
546.35229	60.4
620.08575	1.7
628.34760	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	629.237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	4.9
56.04961	12.9
60.04449	5.7
65.47870	4.7
69.03349	12.4
69.62724	4.0
70.06509	85.7
70.79961	4.3
72.08057	11.3
74.00595	6.1
74.06011	4.8
81.03336	23.2
84.04426	100.0
84.08064	34.0
85.02815	6.8
86.09615	10.6
88.03905	10.1
91.05370	7.0
94.00037	5.3
97.02848	5.2
100.78154	4.8
102.05497	5.7
106.02843	51.0
107.03164	8.9
107.08530	5.7
109.02811	9.8
110.07115	26.5
112.11191	5.7
114.02508	4.7
115.02122	5.8
120.08061	11.8
124.03914	77.3
125.04229	9.0
129.10197	22.0
130.04996	5.5
132.01172	5.7
132.93124	4.6
133.10123	7.4
137.06064	5.8
145.10080	6.5
147.09352	6.2
155.08528	12.2
161.70346	5.1
165.05411	5.5
171.07829	5.9
181.10023	6.4
191.06894	5.2
197.13225	8.9
199.14989	5.7
209.13304	7.1
211.14751	5.8
212.82503	5.3
223.14821	11.7
225.16356	21.5
227.14186	6.3
241.15785	8.8
243.13733	9.6
253.15871	5.7
268.08121	10.8
269.08688	6.8
285.12988	6.0
301.12411	58.6
311.10992	7.8
319.13547	8.0
329.11975	67.8
347.13086	33.6
357.11285	10.6
375.12451	18.2
390.17508	8.6
393.13644	51.0
435.27136	5.0
436.17578	9.5
446.15921	6.0
464.17224	8.6
482.18289	57.8
593.21173	9.2
611.22925	35.2
629.23578	73.4
654.26794	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	629.475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46502	1.9
54.81891	2.0
55.05439	16.7
57.03374	3.3
57.07000	4.4
61.73471	2.0
65.50009	2.1
67.05427	10.5
69.04845	1.9
69.06992	16.0
74.57423	2.7
78.20289	2.2
79.05412	5.1
81.06968	14.6
83.08543	9.5
89.05943	11.2
92.10236	6.4
93.05741	2.5
93.06985	9.4
95.08540	14.7
97.10104	4.6
104.88284	2.2
107.08558	3.8
109.10088	2.8
121.10134	5.4
135.11650	2.9
149.13203	2.9
256.46008	2.3
311.25613	5.0
339.28781	21.2
340.29315	12.7
575.50366	5.5
629.37354	4.2
629.47388	100.0
630.47778	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	629.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	3.9
54.81541	3.5
55.01802	5.3
55.05452	35.5
57.03373	14.9
57.06999	14.0
67.05430	90.5
69.06995	29.2
71.08545	44.6
79.05406	91.0
81.03323	7.7
81.06979	86.2
81.88863	3.1
83.04891	4.3
83.08552	14.4
85.06483	3.4
89.05954	7.2
91.05388	58.3
93.06968	100.0
95.04896	23.3
95.08537	50.2
97.06462	5.7
99.08023	21.3
101.18384	3.7
105.06978	42.2
107.04897	6.2
107.08530	52.8
109.06456	4.0
109.10125	20.4
116.46806	3.2
117.06954	20.8
119.08521	38.7
121.10088	27.2
123.11711	4.0
129.06989	4.5
131.08582	5.5
133.08578	4.8
133.10121	18.3
133.53206	3.2
135.11678	24.8
137.09724	4.5
141.58846	4.4
143.08551	6.2
145.10133	16.1
147.11668	8.6
149.13226	4.5
151.11186	16.5
157.10112	5.6
161.13243	15.1
161.59793	3.7
173.13280	4.4
177.11000	3.4
179.14276	36.4
224.60338	3.6
261.22015	5.0
277.21567	38.2
335.25797	26.7
351.25458	28.1
442.32965	5.0
611.46558	65.6
629.47595	13.9
632.34552	4.1
644.15216	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	630.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68513	2.1
55.05460	3.1
57.07018	51.6
69.06995	4.2
71.08547	27.0
73.06455	4.9
75.43191	2.3
81.06967	3.2
85.10116	20.1
87.04351	2.8
89.05450	4.5
89.05959	100.0
91.05441	3.1
97.10098	3.8
99.11678	2.6
100.16367	2.3
105.06976	3.3
107.07026	3.3
107.84237	2.2
108.31308	2.9
117.09059	4.2
130.45306	2.6
133.08566	34.0
155.17853	2.8
177.11194	12.7
206.88916	2.5
243.23169	3.2
266.39890	3.1
357.11288	2.9
440.95145	2.8
459.28040	3.6
613.44849	11.4
630.34650	5.8
630.47418	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	631.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81023	0.9
57.83334	0.7
62.13741	0.7
69.03362	0.8
70.06518	1.5
76.56828	0.9
81.03332	0.9
83.44727	0.9
84.04417	1.0
84.36367	0.8
85.02819	1.8
92.70679	0.7
103.03910	1.1
110.07140	0.9
112.27706	0.8
122.99558	0.8
140.04465	1.5
141.05264	1.0
144.58223	0.8
161.02998	0.9
185.04272	3.3
273.67078	0.9
285.09470	3.0
325.08774	1.6
327.10483	1.1
329.08484	3.0
341.11783	1.2
347.09332	4.1
402.42593	1.0
413.14258	1.4
429.13525	5.4
487.14218	4.7
529.15350	1.2
533.88440	0.9
569.18170	11.3
571.16406	5.4
613.17047	1.1
631.18323	100.0
632.18701	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	631.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97092	0.3
53.03889	0.3
55.05450	3.7
57.03376	0.9
57.07008	1.6
57.34217	0.3
67.05434	6.0
69.06985	4.1
71.08554	0.8
78.44055	0.4
79.05417	2.3
81.03319	0.4
81.06980	6.2
83.08559	2.4
91.05422	1.8
93.06980	3.9
95.04899	0.6
95.08544	4.1
105.06998	0.8
107.08582	1.5
109.10155	2.0
119.08548	0.7
121.10133	0.6
131.62263	0.4
133.10126	0.6
135.11659	0.5
145.10127	0.5
240.94011	0.4
278.59671	0.4
295.22379	2.8
337.27402	0.9
351.25070	0.7
359.25397	0.5
408.05817	0.4
511.83270	0.5
516.81506	0.5
518.53754	0.4
630.46533	0.5
631.49042	100.0
632.49341	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	631.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00999	3.6
55.05454	28.3
57.03361	7.7
67.05432	87.6
69.06995	30.4
70.21116	3.3
71.04895	8.4
74.47433	3.8
79.05402	49.5
80.95975	3.1
81.06975	100.0
83.08533	14.5
84.50806	3.2
91.05400	42.0
93.06973	52.5
95.04891	7.2
95.08543	62.0
97.76691	3.3
105.06963	40.6
107.08539	23.4
109.10104	22.7
111.08034	6.1
117.06957	4.4
119.08528	24.2
121.10107	5.5
123.11678	4.6
131.08548	8.2
133.10104	15.6
135.11623	8.8
145.10114	5.5
147.11674	8.3
157.10315	3.4
159.11609	3.9
161.13222	7.1
259.20618	6.5
335.39120	3.5
337.27280	14.5
337.87283	3.9
351.25189	5.5
358.47409	3.7
502.92239	4.4
539.36249	4.1
613.47998	4.8
631.48242	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	631.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	5.1
54.28889	4.0
54.81338	4.2
55.05449	30.2
57.03366	4.6
57.07004	7.8
67.05424	85.3
69.06983	34.7
71.08537	21.3
79.05418	51.9
81.06980	100.0
83.04900	5.2
83.08539	6.1
91.05398	34.9
93.06970	62.8
95.04893	9.9
95.08538	58.9
97.10139	6.7
99.08055	5.9
105.06957	29.3
107.08549	32.7
109.10108	21.7
119.08517	25.7
121.10061	21.4
123.11642	6.0
131.08539	16.8
133.10054	8.3
135.11664	17.2
145.10135	7.2
147.11665	15.6
149.13223	6.7
153.73083	4.6
163.14767	4.7
173.13177	5.6
185.12997	4.4
261.22018	9.1
279.23166	7.4
304.26276	3.8
335.25653	17.8
353.26782	9.8
397.00882	4.6
534.47333	4.8
613.48273	36.0
631.48804	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	633.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	3.3
55.05456	36.2
55.39659	2.3
57.07003	5.8
67.05081	4.2
67.05426	100.0
69.06991	30.2
71.08537	13.9
79.05410	45.1
81.06976	92.8
83.08530	18.2
90.01469	3.0
91.05402	34.6
91.60409	3.0
93.06973	43.2
95.04909	4.9
95.08533	69.1
96.66001	3.1
99.08015	4.0
105.06983	22.5
107.08556	21.3
109.10099	20.9
113.09589	4.2
117.06967	3.4
119.08518	12.5
121.10110	6.9
123.11651	3.7
131.08569	3.4
133.10039	10.3
135.11618	4.1
135.30782	2.9
137.13182	5.2
149.13249	5.6
160.01044	3.1
161.13257	3.4
163.14680	3.6
167.58556	3.6
173.13193	3.3
176.15422	3.3
204.55258	3.0
221.78548	3.6
261.22006	11.5
278.01984	2.9
279.23083	17.7
284.51883	3.5
337.27328	28.0
353.26672	15.4
552.82025	3.6
615.49030	13.6
633.51001	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	636.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89897	0.3
53.03897	0.3
54.03297	0.3
55.01818	4.4
57.03376	3.4
61.02861	2.3
67.67731	0.3
68.12797	0.3
69.02968	0.5
69.03344	13.8
69.06992	7.2
70.77132	0.3
71.04915	0.5
73.02850	2.4
77.68482	0.3
81.03339	2.8
85.02826	36.5
86.09624	100.0
87.09950	1.4
90.77618	0.3
91.03875	0.8
97.02300	0.3
97.02821	14.7
99.04381	4.0
101.02309	2.4
109.02827	2.6
115.03875	2.0
127.03873	28.1
128.04198	0.8
132.10165	36.9
133.10480	0.3
143.12059	0.3
145.04938	20.7
146.24684	0.3
163.05977	8.2
181.04921	0.4
251.45183	0.3
259.08008	1.6
271.07977	0.5
289.09174	2.3
307.10345	0.4
325.11209	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	637.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	0.8
57.03370	3.2
61.02855	3.6
66.20466	0.4
69.03011	0.5
69.03349	10.0
69.06975	2.0
70.02859	2.8
73.02823	2.5
74.02352	48.7
81.03334	1.8
83.04946	0.4
85.02827	25.7
86.03178	0.5
86.09628	42.0
87.05515	56.1
87.09959	5.6
88.03918	12.9
91.03910	5.1
92.10912	0.6
97.02811	8.0
98.02319	0.6
99.04382	2.3
101.02321	0.9
109.02834	2.2
115.03851	0.4
116.03394	13.4
123.07323	0.5
125.00027	0.5
127.03880	17.9
131.57819	0.4
132.10175	14.0
133.06056	100.0
133.10509	0.9
134.04530	0.6
141.12224	0.5
145.04919	11.6
152.87283	0.5
163.05965	7.0
198.27205	0.5
218.28024	0.5
257.01297	0.6
289.08969	0.5
325.11270	2.5
387.58075	0.5
461.71216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00234	1.7
55.05444	10.1
55.22721	1.4
57.06736	3.0
57.07010	73.9
65.03852	8.4
66.54313	1.4
73.19485	1.6
83.04898	85.5
91.05410	16.7
98.98395	9.5
104.06047	1.4
105.06970	9.3
114.90244	1.9
115.05430	3.2
117.06933	2.1
119.08529	8.3
131.08525	2.7
132.09258	5.2
133.10091	3.2
141.06995	11.6
147.08038	3.3
147.11668	59.7
148.08058	1.6
148.11955	2.2
151.01515	12.0
159.08026	11.0
163.01515	10.0
169.07611	3.1
175.01494	11.9
224.01924	1.5
227.04588	9.4
239.04686	16.0
336.98315	2.9
337.02328	84.6
393.08511	23.9
433.15955	1.8
469.11728	12.8
475.44043	1.8
522.47382	1.8
525.17798	20.4
581.24164	100.0
582.24658	13.2
589.13605	1.8
610.90735	2.1
637.30396	56.9
638.30188	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	638.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05433	0.5
57.07016	0.8
60.07832	0.5
60.08098	8.4
64.32795	0.6
67.05419	0.5
71.07280	4.6
79.05407	0.7
80.50142	0.5
86.09629	42.1
88.29960	0.6
95.08478	0.9
95.14925	0.6
95.69890	0.6
98.98391	4.3
104.10653	2.5
104.51089	0.6
124.99968	31.7
143.01036	0.7
174.65671	0.6
184.07307	100.0
185.07683	1.1
233.39140	0.6
317.72513	0.6
359.44196	0.5
638.43915	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	638.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62844	0.9
55.05441	4.6
57.07013	8.4
65.85672	1.0
67.05421	6.5
69.06985	8.4
79.05402	11.8
81.06983	37.3
83.04926	1.4
83.08538	1.3
91.05424	1.5
93.06955	6.3
95.04900	29.1
95.08532	6.2
97.06471	2.2
98.92636	1.1
105.06985	4.1
107.08544	5.2
107.68931	1.0
109.06472	100.0
109.10104	4.7
111.08020	1.7
111.25533	0.9
119.08543	2.4
121.10089	1.8
123.11648	1.2
133.10071	1.5
137.09586	1.1
143.08426	1.4
147.11703	1.5
159.11679	1.1
165.09070	1.3
175.11243	1.3
209.18982	2.0
223.05104	5.2
224.65974	0.9
279.11334	1.1
305.24680	22.7
397.05869	1.3
501.66718	1.2
565.24432	1.7
585.47980	1.6
621.30756	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68135	0.3
51.72504	0.3
58.48058	0.3
65.03861	5.1
69.03365	0.4
73.07069	0.3
75.69836	0.3
80.30978	0.3
82.77785	0.3
93.03261	0.4
93.07027	0.4
95.04897	0.5
110.22410	0.3
121.02791	2.8
131.04909	0.7
133.48946	0.3
139.03868	5.5
145.76512	0.3
147.04390	0.4
147.36859	0.3
149.02330	100.0
149.03394	5.3
150.02689	2.0
168.80276	0.3
175.03867	1.7
177.05440	1.6
191.06964	0.4
193.04935	72.5
194.05243	1.6
219.06461	1.7
225.05318	0.6
237.07538	41.0
238.07808	0.7
250.25275	0.3
269.04349	0.7
297.03748	1.6
313.06876	1.3
341.06418	4.7
359.07654	3.0
385.09082	8.5
386.09323	0.4
429.11786	11.0
430.11771	0.4
572.53088	0.4
577.13275	7.9
621.15942	11.7
622.15485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1917
Annotation	Demethoxycentaureidin 7-O-rutinoside
Peak:m/z	Relative Intensity
50.77855	0.1
52.45964	0.1
55.05429	0.1
55.67460	0.1
57.03374	0.8
57.21911	0.1
59.94238	0.1
63.57492	0.1
70.06474	0.5
71.04910	4.1
75.04388	0.2
83.04903	0.2
84.08041	0.1
85.02822	4.5
87.07014	0.1
92.10429	0.4
101.31615	0.1
106.45606	0.1
109.83856	0.1
124.03895	0.2
129.05446	0.5
153.01802	0.9
154.02557	0.5
171.02824	0.2
171.67880	0.1
178.02574	0.8
179.07004	0.2
181.04944	0.2
242.05707	1.7
242.37354	0.1
258.05115	1.5
269.04352	0.2
270.05167	11.7
271.05579	0.8
273.03925	1.0
285.03882	0.1
286.04684	1.8
287.05429	4.1
299.05453	0.7
301.03369	2.3
302.04102	2.9
313.03320	0.6
315.04929	39.3
316.05591	6.0
317.06012	0.2
331.08054	100.0
332.08362	4.5
360.91275	0.2
454.56097	0.1
487.35922	0.1
493.13345	13.6
494.13351	0.9
581.92987	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	640.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01816	8.2
55.05234	3.7
55.05453	46.0
56.34632	3.4
57.03370	57.2
57.06777	3.7
57.07014	66.9
59.04931	3.8
61.51577	3.8
67.05428	77.7
69.06989	43.8
71.01236	4.7
71.04889	4.5
71.08538	43.5
79.05421	55.4
81.06979	100.0
83.04910	4.3
83.08543	36.8
85.06457	7.3
85.10083	18.9
87.95225	4.4
91.05404	66.8
93.06973	75.6
95.04907	38.6
95.08548	77.8
97.06480	5.0
97.10075	17.2
105.06980	45.3
107.08541	64.3
109.06446	19.9
109.10111	38.0
110.23949	4.4
117.06994	16.2
119.08536	37.5
120.18185	4.2
121.10098	36.3
123.07993	6.2
123.11646	19.8
129.06941	8.6
131.08534	28.6
133.10101	28.0
135.07994	9.2
135.11586	8.0
137.05989	42.4
137.09654	5.2
143.08553	5.9
145.10083	24.6
147.11671	5.8
159.11665	17.4
161.09505	5.6
169.66502	4.4
241.14264	42.1
257.18921	4.7
273.18478	7.3
275.19916	9.7
311.25739	6.7
313.27243	52.9
349.23532	4.9
479.36984	26.5
586.44324	5.2
587.46130	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	5.1
55.05437	41.4
57.03361	39.7
57.07012	81.5
63.85887	6.3
67.05428	84.0
69.03352	5.7
69.06978	41.5
71.04894	9.5
71.08558	53.1
79.05399	50.8
81.06973	100.0
83.08523	29.9
85.10090	31.3
89.05933	10.4
91.05410	72.3
93.06960	56.7
95.04858	29.5
95.08517	80.5
97.06468	6.5
97.10072	10.7
100.50329	6.2
102.94112	5.5
105.06966	61.2
107.08520	42.7
109.10107	35.1
117.06932	30.0
119.08551	48.0
121.10064	23.0
126.04082	6.1
129.06946	12.9
131.08508	35.3
133.10049	25.8
145.10103	23.0
147.11623	23.0
149.09677	8.2
157.10118	10.4
159.11635	37.1
163.11044	6.2
173.13158	9.2
185.13216	13.0
213.96552	6.2
227.12767	15.6
234.91325	8.2
257.18967	13.4
275.20114	21.8
310.45657	6.6
313.27393	63.1
320.06940	7.4
349.23578	25.4
587.46570	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	35.0
57.03370	38.6
57.07006	71.0
58.26279	5.1
58.48650	5.2
67.05424	79.2
69.06973	39.8
71.08551	46.5
79.05408	52.2
80.05633	5.9
80.21203	6.8
81.06967	100.0
83.04916	7.5
83.08540	35.8
85.10117	26.9
91.05418	58.7
91.83437	5.7
93.06963	51.1
94.34811	6.6
95.04903	12.2
95.08523	74.6
96.00865	6.0
97.06458	9.6
97.10072	10.1
105.06958	53.3
107.08531	37.4
109.06465	8.0
109.10105	39.7
116.54969	6.3
117.06944	12.9
117.80585	5.6
119.08532	41.6
121.10085	25.1
123.11737	5.3
124.38206	6.1
129.06979	9.2
131.08517	43.7
133.10030	10.1
135.11656	8.2
137.09584	6.9
143.08525	8.0
145.10126	23.2
147.11612	6.6
147.35889	5.3
152.82323	5.6
159.11694	9.8
171.11769	9.1
185.13150	14.1
195.44841	6.6
203.14317	8.7
245.61403	7.0
257.18942	22.6
275.19937	33.5
313.27371	81.2
331.22635	9.0
349.23715	11.4
587.46887	53.0
605.46271	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	642.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96484	0.9
57.06566	0.2
57.07009	4.6
58.06535	1.1
60.08092	18.1
65.07997	0.2
69.03312	0.3
71.08543	2.2
85.02807	0.2
85.10091	1.2
98.97475	0.2
103.05418	0.2
107.08556	0.3
111.01959	0.3
116.98573	0.4
119.07666	0.2
119.08533	5.9
120.08904	0.9
124.03298	0.2
128.98608	0.3
133.10104	0.3
134.99628	0.2
135.08032	0.4
139.08270	0.2
143.00174	0.4
144.02492	0.7
146.99626	0.5
153.03014	0.3
158.99536	0.2
161.01173	1.0
166.03859	0.5
168.57857	0.2
169.05066	0.2
221.03276	0.2
222.03975	0.2
223.50591	0.2
223.78151	0.2
228.10031	0.2
228.26819	100.0
229.27164	3.8
233.07423	0.2
247.98225	0.2
300.11163	0.8
300.61377	0.8
367.14841	0.3
367.64932	1.0
434.68509	0.2
625.23987	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00238	0.8
54.81938	0.5
55.01804	3.9
55.03688	0.5
55.05459	8.4
57.03362	3.5
57.07014	16.5
59.52162	0.5
67.05122	0.6
67.05431	10.1
68.70360	0.5
69.06988	9.0
71.08235	0.6
71.08547	10.1
79.05404	7.7
79.59861	0.6
81.06977	30.9
82.07319	0.7
83.04897	2.5
83.08539	6.4
84.41674	0.5
85.10106	4.5
91.05397	2.9
92.10907	1.2
93.06982	6.8
95.08536	12.2
97.06480	1.2
97.10098	2.5
99.07984	0.6
105.06963	2.9
107.08538	6.1
109.06480	11.2
109.10108	5.7
111.04393	12.7
111.08050	1.0
117.06931	0.8
119.08535	4.7
121.10111	5.1
123.08015	1.3
123.11659	2.6
123.28292	0.7
125.05919	3.7
131.08539	1.1
133.10072	4.3
135.08025	2.4
135.11681	5.0
137.05956	100.0
137.09569	1.1
137.13213	1.2
138.06310	2.7
139.07483	0.8
143.08495	1.2
145.10074	1.2
147.08084	1.3
147.11655	5.8
149.09641	4.4
149.13248	0.7
151.07559	1.4
157.10144	0.8
159.11687	0.9
161.09546	4.8
161.13214	2.9
163.11172	3.4
163.14854	0.9
165.09097	2.2
165.12724	0.7
171.11655	0.9
175.11162	5.2
175.14691	0.9
176.11755	0.6
177.12645	0.8
179.10641	0.9
189.12791	0.8
193.12152	1.1
203.17989	4.0
213.16359	1.3
221.18883	1.1
231.17386	5.5
241.15889	0.9
249.18468	5.0
261.21906	0.7
277.17947	15.2
278.18222	0.8
283.48914	0.6
295.18964	7.8
311.25775	3.1
313.27313	19.0
351.21552	8.3
369.22525	0.7
589.44385	39.3
590.44745	3.6
607.45520	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	642.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00247	1.5
54.34782	1.2
55.05442	7.5
57.07014	48.7
62.91717	1.1
67.05408	2.5
69.06979	8.2
71.08545	36.9
73.06458	7.3
79.05411	1.6
81.06980	6.3
83.08527	5.1
83.50820	1.2
85.10103	18.5
87.04388	8.9
89.05952	100.0
92.10251	1.3
93.06985	1.8
94.61252	1.1
95.04919	1.7
95.08552	2.3
97.10109	5.1
104.41490	1.3
105.06979	1.6
107.07011	5.4
109.10137	1.3
111.11696	1.4
117.09081	5.3
126.57682	1.2
127.44176	1.3
133.08560	35.9
177.11192	13.5
212.85925	1.5
221.13785	3.0
255.26768	1.4
283.17523	1.8
299.29346	8.3
343.32016	2.6
371.22906	1.3
415.25214	7.2
625.48633	11.6
642.50909	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	642.53
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	3.9
53.03889	3.3
54.10300	2.1
55.01807	8.3
55.05454	28.8
57.03374	27.0
57.07016	72.1
58.62556	2.1
67.05426	76.0
67.05779	3.3
69.06985	32.9
69.52831	2.2
70.24858	2.0
71.04900	14.7
71.08544	48.5
79.05414	65.2
81.06976	100.0
83.04885	3.4
83.08538	32.8
83.55338	2.2
85.06474	2.5
85.10105	24.6
91.05404	47.9
92.29736	2.1
93.06977	74.1
95.04887	8.8
95.08532	85.6
97.06461	3.5
97.10083	12.9
104.23485	2.0
105.06954	39.6
107.08537	39.4
109.06463	3.5
109.10121	30.1
111.08014	3.5
117.06944	9.8
119.08536	40.2
121.10094	35.0
123.07991	4.3
123.11626	11.9
125.09541	2.9
130.07779	2.8
131.08521	21.9
133.10114	25.8
135.11603	20.9
145.10081	14.7
147.11694	18.0
149.09538	2.9
149.13246	5.3
157.10126	3.2
159.11649	11.5
161.13269	10.9
163.14684	4.0
171.11636	3.1
172.85097	2.3
173.13202	5.5
173.48071	2.2
175.14908	3.7
185.13289	2.8
187.14743	4.4
189.16281	3.0
241.19336	3.0
259.20557	21.0
277.07800	2.3
277.21530	40.6
313.27307	95.7
314.38834	2.5
333.24243	2.9
351.25189	44.5
500.10284	2.5
589.48187	60.6
590.48163	3.1
591.16797	2.8
599.26373	2.8
607.49017	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19926	1.0
52.41945	1.0
53.00236	6.4
53.03878	1.9
55.05449	34.8
55.41471	1.1
57.03372	25.6
57.07013	76.1
58.76626	1.0
67.05425	81.6
67.05782	2.8
67.43955	1.2
68.05753	1.3
69.06985	32.2
71.04904	1.9
71.08543	69.3
79.05408	33.5
81.06973	100.0
83.04888	6.4
83.08539	22.6
85.06467	2.9
85.10099	43.5
89.05942	8.4
91.05404	20.0
91.87925	1.1
92.10959	2.7
93.06970	34.3
95.04856	2.3
95.08530	88.9
96.08826	1.5
97.06461	5.8
97.10088	11.9
99.08033	16.3
105.06963	13.9
107.08541	22.9
108.35124	1.3
109.06471	1.9
109.10107	34.9
111.11679	1.4
113.09593	14.5
117.06975	4.2
119.08497	10.7
121.10098	13.0
123.11668	9.3
131.08545	7.2
133.10106	12.2
135.07910	1.3
135.11646	7.9
137.13240	6.1
145.10094	5.9
147.11639	14.1
149.09613	1.3
149.13205	5.2
153.12741	1.3
155.10602	1.5
161.13248	5.7
163.14755	6.4
165.12733	2.8
165.61626	1.2
167.14307	1.7
173.11829	1.4
173.13278	5.0
181.15901	1.6
187.14737	1.9
192.93889	1.3
239.23540	5.4
243.20938	5.5
253.17879	1.7
261.22079	12.1
279.23148	34.3
297.24274	2.0
313.27298	97.3
314.27612	5.7
335.25626	1.8
353.26770	41.9
354.26889	1.2
371.27777	11.8
491.40930	2.0
507.40021	1.7
508.40637	2.7
573.48627	2.5
591.40930	2.4
591.49731	51.6
592.49762	2.8
609.50702	26.2
645.46283	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	645.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07013	4.3
60.22112	2.7
65.20212	3.3
67.05435	4.6
67.49434	3.7
69.06965	4.0
71.13583	2.8
79.05406	3.6
81.06970	6.6
89.05979	10.4
91.05426	4.3
92.10943	6.9
95.08522	4.6
143.83098	3.8
151.05663	4.0
173.23599	3.4
186.62186	3.3
197.54639	3.8
224.83113	3.7
242.03127	3.8
252.04166	3.4
337.23438	4.6
504.24518	3.7
644.52045	5.3
645.46545	100.0
646.46851	5.7
657.56183	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	646.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26608	6.2
53.23014	5.7
55.05439	40.4
55.96438	6.4
57.07014	7.8
58.11969	6.2
61.01360	6.4
67.05437	78.1
69.06978	26.2
79.05410	96.1
81.06974	84.1
89.05960	9.3
91.05411	85.0
93.06968	100.0
94.37841	6.8
95.04836	7.6
95.08525	77.5
95.89355	5.8
97.54694	6.3
105.06969	89.6
107.08530	36.0
109.10102	16.0
109.74166	6.4
117.06975	28.7
119.08516	61.0
121.10071	28.2
129.06943	8.5
131.08510	31.7
133.10086	43.7
135.11632	10.4
143.08533	9.4
145.10062	12.8
147.11664	38.6
149.13260	10.9
159.11641	13.7
161.13205	25.8
169.80602	8.2
198.14883	10.3
259.20477	13.4
317.12482	6.6
333.24130	13.7
335.25815	25.6
611.45746	30.1
650.58112	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	647.449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16890	1.3
67.05432	2.4
71.08607	1.6
75.10024	1.5
79.05393	2.6
81.06953	2.1
91.05401	1.9
93.06971	2.9
95.08532	2.6
100.57575	1.6
105.06973	2.2
126.28706	1.5
198.40817	1.8
237.30733	2.0
244.45007	1.9
324.32477	2.0
335.18219	8.9
495.50842	1.9
514.59149	1.7
647.44818	100.0
648.45026	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	647.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00275	1.0
54.81900	1.0
55.05458	1.3
57.07021	1.1
62.34687	0.9
67.05437	1.4
79.05447	1.2
81.06986	1.2
89.87050	1.0
92.10194	2.9
93.07003	1.7
99.12318	0.9
168.55009	1.0
219.06310	0.9
267.52478	0.9
275.71954	1.0
335.21594	7.1
385.45636	1.2
391.24731	4.8
477.50247	1.2
512.83661	1.3
647.48492	100.0
648.48694	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	647.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	0.9
57.07021	0.8
62.05975	0.6
64.33025	0.5
67.05430	1.2
81.06976	2.4
91.05441	0.7
93.06998	0.8
94.63702	0.7
95.08534	1.2
133.10138	0.7
159.86583	0.6
186.30038	0.5
190.08116	0.6
203.60757	0.6
351.74716	0.6
369.20712	0.7
391.24884	0.6
462.44617	0.6
464.24445	0.6
613.79327	0.7
647.48462	100.0
648.48846	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	648.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.9
54.93760	1.7
55.05455	35.7
57.03373	25.1
57.07016	8.6
67.05428	100.0
69.06985	35.3
71.08538	9.3
79.05412	62.0
81.06976	97.7
83.04880	3.4
83.08540	15.5
83.63324	2.2
85.06467	2.4
91.05400	50.3
93.06421	2.2
93.06966	67.0
95.04887	4.1
95.08536	71.9
97.06477	3.2
97.10096	9.2
99.07993	3.3
99.48251	1.8
100.05058	2.1
105.06973	38.4
105.54695	2.2
107.08517	40.3
109.06468	3.6
109.10108	30.2
111.08036	3.6
117.06970	16.8
119.08533	42.8
121.10081	31.5
123.07992	2.7
123.11663	9.0
127.78180	2.2
129.06976	2.9
131.08537	22.2
131.27226	2.1
133.10074	22.9
135.11656	16.5
143.08560	2.8
145.10098	14.3
147.11700	19.4
149.13226	4.5
157.10071	3.8
159.11638	5.2
160.04002	2.7
161.13237	3.9
163.14803	2.7
171.11627	4.5
173.13216	2.8
175.14763	2.6
185.13319	3.8
187.14778	4.6
236.85974	2.9
241.19548	3.2
257.94586	2.1
259.20508	11.2
261.22073	2.8
261.74677	2.2
276.91617	2.4
277.21539	10.8
335.22079	3.1
335.25870	9.2
337.23453	3.5
337.27200	35.8
351.25214	13.7
353.26712	3.8
368.75769	2.2
393.26483	2.6
401.91165	2.7
527.46423	2.5
613.48151	38.8
647.48358	4.5
648.48596	36.4
649.50018	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	3.6
55.01808	1.7
55.05222	2.1
55.05455	40.8
57.03378	30.7
57.07002	3.7
58.53137	1.5
65.03857	2.7
67.05429	100.0
68.71110	1.7
69.06986	36.8
71.04887	1.6
71.08529	3.0
79.05406	52.3
81.03362	5.7
81.06975	90.7
82.87780	1.5
83.04886	3.3
83.08540	16.0
85.06497	2.2
91.05408	47.3
93.06972	55.4
95.04896	12.6
95.08528	72.6
97.06441	6.7
97.10098	7.4
105.06968	39.1
107.08534	39.7
109.06448	7.0
109.10114	25.1
111.08072	1.9
115.25450	1.9
117.06961	11.0
119.08533	32.0
121.10091	19.7
123.11647	8.9
129.06953	7.8
131.08543	17.4
133.10100	23.7
135.11641	10.3
141.70078	2.0
143.08510	6.6
145.10085	14.1
147.11659	11.5
149.13237	6.4
151.11118	3.7
157.09987	2.0
159.11620	7.1
161.13208	7.2
163.14778	2.1
171.11627	2.5
173.13297	2.2
175.14780	3.9
177.16316	1.9
187.14755	6.2
241.19502	3.1
259.20505	8.0
277.21548	16.4
333.24133	7.2
337.27261	54.3
337.30942	3.2
338.27747	2.6
351.25156	18.2
484.65381	1.9
493.35208	1.8
613.48340	32.4
632.55042	2.0
649.49738	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	649.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65205	0.4
59.86573	0.5
61.02853	0.7
64.34101	0.4
69.03363	2.1
73.02813	0.8
85.02831	9.7
95.01026	0.6
97.02831	2.5
99.04416	0.6
109.02806	0.9
113.02094	0.7
127.03868	1.1
141.05238	0.7
145.04964	3.3
163.06052	1.2
175.84248	0.5
185.04185	1.0
201.03699	2.6
203.05196	1.7
258.04620	0.5
319.10178	0.9
329.08365	2.4
331.09845	0.6
347.09515	7.1
363.09042	3.6
365.10382	6.8
376.78098	0.6
407.11624	2.0
421.13129	3.3
437.12952	0.8
461.92871	0.6
487.14209	3.1
493.15546	4.3
509.14865	5.3
639.19098	0.6
649.19409	100.0
650.19958	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	649.501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39251	0.4
51.35910	0.4
53.48785	0.4
55.05457	1.1
57.03361	0.6
57.07014	3.1
67.05426	2.6
69.06979	0.6
71.08558	2.5
79.05418	1.2
81.06985	3.4
81.71362	0.5
85.10120	0.8
87.32887	0.4
91.05424	0.7
93.06989	0.7
95.08537	2.2
107.08501	0.5
109.10085	0.6
183.76610	0.5
310.84576	0.5
313.27466	1.0
336.76910	0.6
337.23425	9.7
393.25876	5.6
408.56689	0.5
461.68774	0.6
614.48712	0.6
649.50024	100.0
650.50269	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	650.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84031	0.2
53.53164	0.1
54.56080	0.2
55.05455	0.2
56.04988	0.3
57.07014	0.2
58.06538	0.2
60.08094	9.0
61.16411	0.2
62.69107	0.2
64.86242	0.2
67.05426	1.0
70.20368	0.2
71.07292	4.5
71.08557	0.2
76.97275	0.2
81.06966	0.2
86.09627	48.0
87.09979	0.8
95.08542	0.4
98.98385	3.6
104.10681	3.2
109.10110	0.5
124.99963	33.0
143.01028	0.9
152.56853	0.2
155.23730	0.2
184.07307	100.0
185.07669	1.0
188.40121	0.2
190.30238	0.2
219.01375	0.2
650.43787	9.5
651.43292	0.5
658.33197	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05457	40.7
57.03363	19.8
57.07000	5.8
65.03835	3.2
67.05084	4.3
67.05429	100.0
69.06986	46.2
71.08548	33.2
79.05404	36.1
81.06506	4.1
81.06977	97.0
82.01762	2.8
83.04877	4.5
83.08529	28.4
84.40446	2.9
88.07524	3.6
91.05392	19.3
93.06979	35.6
93.18772	3.0
95.04881	4.3
95.08536	75.1
97.06439	4.9
97.10124	5.9
97.55165	2.8
99.08018	18.9
105.06966	20.2
105.37964	3.4
107.08533	27.2
109.10132	22.7
117.06995	3.5
119.08526	15.0
121.10099	14.0
122.71214	2.9
123.11676	4.2
124.99982	4.1
126.22358	3.0
131.08533	11.4
133.10062	4.4
135.11671	12.7
145.10030	4.0
147.11635	13.6
149.13251	3.3
163.14835	3.6
199.05550	3.6
220.82343	2.7
256.26273	14.3
259.40201	3.8
261.22028	4.7
279.23236	7.2
326.34079	54.5
335.25977	3.9
337.27319	70.7
353.26794	30.1
615.50079	24.3
616.50714	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	650.535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	1.3
53.03879	2.6
54.80041	0.9
55.01791	1.6
55.05452	31.0
57.03380	16.8
57.07003	11.3
60.12683	1.0
65.03871	4.4
67.05427	100.0
69.06989	32.7
71.04901	1.5
71.08549	5.9
71.46690	1.2
72.75859	1.1
79.05408	59.3
80.87420	1.0
81.06972	97.6
82.07301	1.1
83.04908	1.1
83.08541	13.6
85.06483	2.6
85.10109	1.2
91.05404	33.2
93.06968	71.0
94.07285	1.1
95.04897	5.1
95.08527	65.7
96.08843	1.5
97.06476	5.5
97.10103	7.8
99.07990	1.3
105.06970	25.9
106.07306	1.5
107.08534	34.3
109.06445	1.3
109.10103	23.2
110.10377	1.3
111.08051	1.8
115.41606	1.2
117.06947	8.2
119.08526	19.6
121.10093	22.1
123.11623	9.2
125.09528	1.4
131.08525	17.0
133.10083	11.7
135.08055	1.5
135.11671	14.0
137.13223	2.4
140.76021	1.2
143.08597	1.5
145.10063	11.9
147.11617	8.4
149.13254	7.3
151.14856	1.4
157.10117	1.2
159.11673	6.1
161.13306	7.2
163.14835	6.7
171.11674	1.3
173.13255	6.3
174.29735	1.2
174.72028	1.2
175.14824	5.7
177.16312	4.0
187.14795	2.7
201.16399	1.7
215.17851	1.3
243.20955	8.8
261.22079	15.3
317.24692	1.4
335.25769	24.4
336.26154	1.5
337.23462	6.6
337.27420	27.9
338.23868	5.3
338.27704	1.8
393.25867	1.9
428.52240	1.4
523.45203	1.9
597.48566	14.2
598.48749	1.5
615.49652	37.2
616.50092	5.1
649.50153	15.7
650.50354	73.9
651.50525	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	650.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00250	0.9
53.03882	1.5
55.01813	2.0
55.05449	29.7
57.03380	9.2
57.07016	9.4
63.28811	1.0
65.03864	2.0
67.05427	87.1
68.05754	1.6
69.02624	1.0
69.06988	31.4
69.07343	1.8
71.04919	1.0
71.08556	1.9
79.05405	55.4
79.05868	2.1
81.06972	86.2
83.04916	1.4
83.08539	12.2
91.05405	33.5
91.05953	1.8
93.06972	63.4
94.07217	1.1
95.04901	7.0
95.08529	64.3
96.08889	1.8
97.06473	4.9
97.10101	5.4
99.08010	1.8
105.06975	25.0
107.08532	39.9
109.06496	1.3
109.10101	22.0
111.11629	1.1
117.06983	8.3
119.08534	21.8
121.10104	25.2
123.11662	6.3
129.06970	1.5
131.08507	17.2
133.10095	15.1
135.08046	1.2
135.11635	14.3
137.13324	1.6
142.63869	1.1
143.08620	1.4
145.10065	10.0
147.11642	8.7
149.13185	8.5
151.14821	1.7
157.10062	1.4
159.11708	6.8
161.13274	6.5
163.14818	6.3
173.13258	6.0
175.14828	4.1
177.16397	2.5
185.01964	1.1
187.14766	1.3
195.65855	1.0
199.14839	1.3
243.21002	7.3
261.22086	13.2
286.88818	1.0
317.24826	2.6
335.25757	11.2
337.27228	15.0
337.30917	1.2
523.44885	1.8
597.48773	28.4
598.49115	5.3
615.49744	37.2
616.50037	6.3
623.11353	1.2
649.49701	15.2
650.50348	100.0
651.50513	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	650.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	35.4
55.48074	2.1
57.03372	13.5
57.07002	12.2
58.42131	2.0
65.03872	3.1
67.05076	3.5
67.05431	100.0
69.06995	33.3
70.55836	2.3
71.04897	2.3
71.08543	2.8
78.72311	2.0
79.05405	53.0
81.06974	96.1
82.47151	2.2
83.08544	17.0
91.05407	34.4
93.06442	3.5
93.06974	61.4
95.04923	5.0
95.08537	72.8
95.09142	2.3
97.06489	5.0
97.10101	5.1
105.06984	29.7
107.08533	34.4
109.10100	25.0
117.06939	3.7
119.08543	26.0
121.10101	21.2
123.11671	9.5
131.08565	17.1
133.10098	14.1
135.11655	11.4
137.13225	3.3
145.10101	11.4
147.11681	8.6
149.13208	9.0
159.11667	5.6
161.13165	10.5
163.14771	3.3
243.20929	2.8
261.22000	3.6
282.24518	2.3
298.58444	2.7
335.25735	15.8
337.27322	31.0
597.48840	19.1
615.49585	30.3
616.49670	3.0
650.50281	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	651.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14588	0.6
56.96499	37.2
64.33352	0.6
74.97537	1.3
91.52299	0.5
92.10934	1.1
110.00307	0.5
116.47274	0.6
118.06504	6.3
120.67711	0.6
130.06462	2.5
132.08047	3.5
137.09081	0.7
144.07095	0.6
144.08066	4.8
146.04913	1.1
146.05984	17.1
157.07574	6.7
159.09180	1.3
167.03708	0.9
170.05867	1.0
174.02211	10.3
188.03760	1.3
188.05438	1.1
188.07037	22.7
192.03284	62.1
193.03589	0.8
199.05269	0.9
205.09787	5.1
206.04881	15.7
207.01974	2.1
208.02740	2.5
210.04335	23.7
210.06291	0.9
215.04871	18.8
217.06479	18.3
220.02713	4.1
222.04283	6.0
224.05899	7.4
225.03017	1.0
226.03818	1.3
231.04385	2.5
233.05945	26.0
234.04228	0.8
235.07507	29.9
235.09874	1.3
236.02209	2.8
238.03798	4.6
240.05426	2.4
243.04262	6.7
247.03902	2.8
249.05363	3.6
252.05009	0.7
261.05399	100.0
262.05740	2.2
265.04843	1.1
279.06458	98.9
280.06747	3.4
284.06958	3.8
302.08096	1.0
316.05859	2.4
331.11404	0.9
334.07037	1.1
386.11652	0.7
402.11087	5.2
404.12573	1.0
430.10651	10.3
447.13306	92.4
448.13580	5.5
458.93094	0.7
582.99750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.519
Annotation	1-[18-hydroxyoeoyl]-2-[18-hydroxy-lioleoyl]-sn-glycerol
Peak:m/z	Relative Intensity
52.49873	2.3
53.00230	2.5
55.05449	37.5
57.03367	13.7
57.07000	11.2
58.10086	2.3
67.05426	85.2
69.06980	41.3
71.08546	13.1
79.05400	31.7
81.06971	100.0
83.04879	3.3
83.08530	12.3
83.35252	2.4
84.28085	2.2
85.06414	2.2
85.10104	13.8
91.05398	29.7
93.06960	37.2
93.95883	3.0
95.08533	65.3
97.06523	3.0
97.10099	9.4
99.07976	10.4
105.06966	13.9
106.94489	2.7
107.08537	15.7
109.10094	22.9
111.11646	2.7
113.09611	10.5
119.08517	16.9
121.10097	13.0
123.11624	5.3
131.08508	4.9
133.10092	15.9
135.11638	5.7
137.13266	3.1
147.11644	3.2
161.13249	3.6
279.23123	20.0
284.68808	2.9
337.27274	55.4
353.26804	22.2
371.27631	2.6
433.03052	3.2
435.35611	2.8
493.03439	2.8
615.50061	21.8
633.50574	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	652.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00255	1.0
53.60906	0.3
55.05447	3.7
56.89044	0.4
57.07014	50.6
65.03874	1.1
67.05435	2.7
69.06997	1.9
71.08590	0.6
79.05413	1.0
81.06990	3.2
82.69225	0.4
83.04901	13.3
91.05410	7.3
93.06979	2.9
95.04850	0.6
95.08543	1.8
97.96854	0.6
98.98387	0.6
105.06979	3.4
107.08554	1.0
109.10115	0.8
117.01006	0.6
117.06992	1.9
119.08548	3.3
121.10151	2.0
128.06194	1.7
129.06946	0.8
131.04999	0.6
131.08545	2.8
132.09341	0.9
133.10130	2.1
134.87410	0.6
141.06966	7.2
142.07809	0.8
143.08545	3.5
145.10127	0.9
147.02055	7.6
147.08049	0.8
147.11671	30.5
151.01569	1.1
159.08049	9.9
161.13258	2.5
165.03131	2.1
169.07706	0.6
175.01550	5.4
175.02969	0.8
187.03101	1.9
187.11087	0.6
187.14926	0.6
189.16393	0.7
193.04175	1.7
195.05736	0.7
197.13228	0.7
205.04150	3.7
211.05168	1.0
213.16388	2.2
215.14250	7.9
220.19679	0.5
223.05157	65.1
224.05550	0.7
227.04785	0.6
227.08287	0.7
239.04715	2.6
241.06174	9.2
241.19485	1.7
243.17435	1.1
244.99680	9.3
253.15442	0.5
261.22238	0.5
263.00775	0.6
267.11514	0.5
271.20514	9.2
279.11414	17.8
295.11029	0.6
295.14618	0.5
297.12451	4.0
321.02859	5.6
335.17749	6.0
335.25888	0.5
339.28897	1.0
377.09048	5.0
397.05881	6.2
433.15347	16.7
433.20972	0.8
453.12189	10.4
509.18417	14.5
510.18860	1.7
565.24670	16.1
566.24884	0.6
614.43359	0.6
621.30939	100.0
622.31177	6.7
652.34637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55135	0.7
54.81964	0.7
55.05438	2.1
59.58007	0.7
66.15530	0.9
67.05424	5.4
69.06989	2.0
71.21893	0.7
77.69859	0.8
79.05409	1.6
81.06970	4.5
85.98677	0.8
88.83237	0.7
91.05409	1.0
95.08534	1.9
101.94775	0.8
107.08549	1.5
109.93051	0.8
129.48184	1.0
168.38817	1.0
203.68547	1.0
249.40926	0.9
256.35034	0.9
313.79269	0.9
316.20563	0.9
317.20831	4.9
317.70901	0.9
373.23563	2.1
447.03879	1.0
542.33844	0.9
620.41125	1.0
653.47400	100.0
654.47528	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	653.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27333	1.1
53.82260	1.1
55.95216	1.2
67.05431	2.0
68.46239	1.3
79.05402	1.9
81.06970	3.1
81.76147	1.5
90.59220	1.5
91.05444	1.6
93.06976	2.4
95.08514	6.1
96.42645	1.8
178.84668	1.4
179.65808	1.4
185.40138	1.4
276.80228	1.4
317.20804	2.7
373.23605	2.2
653.47394	100.0
654.47516	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	654.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	2.1
53.03880	9.5
54.81741	1.7
55.01810	3.7
55.05454	16.3
56.04958	2.3
57.03364	9.0
57.07003	3.8
59.04917	1.9
60.62517	1.7
61.02842	8.5
61.16406	1.8
67.05410	12.5
69.03352	29.3
69.06979	13.1
70.06516	30.2
71.04908	5.2
72.08071	3.7
73.02808	2.6
73.75230	1.9
79.05422	18.7
81.03336	18.5
81.06977	52.1
83.04903	19.1
83.06015	2.1
83.08537	9.3
84.04431	8.9
84.08085	15.1
85.02828	53.2
85.06445	3.8
86.09617	3.1
87.00748	20.8
90.44236	2.2
91.05408	23.4
93.06976	21.1
95.04899	60.3
95.08517	15.6
97.02817	22.9
97.06459	14.4
99.04391	17.2
105.01808	13.6
105.06970	44.2
106.02859	2.8
107.08537	44.2
109.02840	17.5
109.06472	65.8
109.10110	35.5
110.07079	3.7
111.04430	2.0
111.08002	2.7
115.03828	2.1
119.04857	3.8
119.08542	27.0
121.10102	31.7
123.07996	11.6
123.11666	11.3
124.03915	8.0
127.03864	25.5
129.10196	4.3
131.08528	25.7
133.10095	100.0
135.07996	9.0
135.11687	14.4
135.22084	2.0
136.07529	2.0
139.11137	15.9
143.08525	4.5
145.02780	3.6
145.04889	3.7
145.10127	17.3
147.11650	21.4
149.13205	28.7
151.03917	2.5
151.07527	22.0
151.11189	3.5
153.09070	17.3
158.10905	15.2
159.02895	4.6
163.11119	3.3
163.14821	2.8
165.12718	3.7
173.13225	70.0
175.03784	2.6
175.14803	13.1
177.05446	14.0
191.14275	59.8
209.15334	54.6
227.16383	21.0
279.03369	2.2
312.31137	2.0
385.79391	2.8
457.19989	3.5
648.87201	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	654.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	4.8
57.07009	47.3
57.07290	1.7
63.49841	0.7
65.03860	6.2
74.13145	0.7
76.56995	0.8
83.04895	63.9
91.05399	11.5
98.98397	4.2
105.06970	6.9
107.08549	0.9
115.05418	3.5
117.06985	1.1
119.08497	5.8
122.75379	0.9
129.06958	2.9
131.08443	1.0
132.09328	1.9
133.10086	3.1
141.06956	8.7
147.08015	1.3
147.11650	44.1
148.12022	0.9
151.01512	6.9
159.08040	7.6
161.13132	2.7
163.01498	5.7
168.32761	0.7
169.07597	1.9
170.48164	0.7
175.01544	9.7
181.02544	1.3
187.01494	0.9
189.53094	0.9
210.07004	0.7
211.23442	0.8
221.03497	0.9
227.04568	6.3
239.04610	9.1
254.98059	1.2
260.99124	3.2
295.10730	1.6
337.02289	57.6
351.16943	1.0
393.08554	27.5
394.08466	1.0
413.05298	2.7
469.11774	14.0
525.17938	22.7
581.24078	51.6
582.24164	4.3
637.30365	100.0
638.22760	0.8
638.30823	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	654.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68477	0.3
53.00223	0.6
55.05444	1.6
57.06733	0.8
57.07010	20.6
65.03877	0.7
67.05427	13.6
69.06969	0.8
71.08504	0.4
73.59267	0.4
79.05407	0.8
79.49330	0.4
81.06969	2.0
83.04892	0.7
83.08547	0.5
85.06474	5.5
91.05395	4.1
92.64430	0.4
93.06965	0.6
95.04903	1.7
95.08525	0.9
97.00484	0.7
98.98405	7.9
105.06976	2.2
109.10156	0.5
119.08527	2.1
121.06499	0.6
128.06181	12.4
133.10092	1.8
140.99458	1.9
141.06960	0.5
143.08531	10.9
147.11668	18.7
149.63750	0.5
157.10054	0.5
161.09573	7.2
161.13176	0.8
165.03093	100.0
166.03337	0.6
171.09109	0.9
173.03604	17.5
175.01543	3.2
183.04167	6.1
187.01566	0.9
189.16418	0.5
229.09842	4.2
239.08253	5.3
241.03899	0.9
241.06192	16.5
246.99171	0.5
279.96524	0.5
297.12479	19.8
353.18698	32.2
354.19199	0.8
525.21741	3.5
581.27789	10.5
635.57660	0.6
637.34082	74.5
638.34235	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1864
Annotation	Syringetin 3-rutinoside
Peak:m/z	Relative Intensity
56.04971	1.5
57.03363	2.9
63.11599	0.5
69.03339	3.2
70.06512	10.3
71.04910	12.5
72.08075	1.4
73.02844	0.8
74.05965	0.7
79.87169	0.6
81.03327	1.6
84.04436	5.0
84.08077	5.4
85.02828	16.2
86.09612	3.2
92.10743	2.8
97.02809	1.3
99.04387	1.1
106.02896	1.6
109.02836	1.5
110.07137	5.5
119.04862	0.8
120.08021	2.5
124.03905	4.0
124.36391	0.6
127.03867	0.9
129.05423	1.2
139.03844	3.6
145.02805	0.8
147.04359	0.9
153.01804	6.1
153.05420	4.9
165.01788	2.8
181.04886	1.6
207.06454	1.1
223.38469	0.7
231.06464	1.0
244.03517	1.2
244.20822	0.9
258.05121	5.9
259.05914	1.4
269.04373	1.3
285.03781	1.1
286.04669	6.2
287.05371	8.3
289.03494	0.8
291.08514	1.5
303.04968	1.3
314.04529	0.8
315.05035	5.0
331.04443	6.5
332.05093	3.3
347.07544	100.0
348.07843	4.1
382.38934	0.8
428.00906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1869
Annotation	Iristectorigenin A 7-O-gentiobioside
Peak:m/z	Relative Intensity
53.00211	0.2
53.03862	0.1
55.01776	0.2
55.05420	0.2
56.04941	0.2
57.03350	0.2
60.04416	0.1
60.91211	0.1
61.02829	0.2
67.05387	0.2
69.03347	1.1
70.06508	3.0
71.06807	0.1
72.08022	0.6
74.05973	0.1
80.55660	0.1
81.03295	0.8
83.05990	0.2
84.04426	0.9
84.08083	1.4
85.02825	2.7
85.08372	0.1
86.09621	0.3
87.04393	0.1
91.05384	0.2
93.06937	0.1
96.04390	0.2
97.02834	1.0
101.07058	0.1
103.05350	0.1
106.02885	1.0
107.08498	0.1
109.02782	0.5
110.07066	0.6
115.08581	0.2
118.08588	0.1
119.04846	0.3
120.08006	0.2
124.03914	2.4
125.04279	0.1
127.03830	0.7
129.10141	0.5
136.07468	0.1
145.04837	0.2
147.04361	0.2
153.01761	0.9
154.02583	0.2
171.02794	0.5
175.03770	0.1
177.05363	0.3
178.02556	0.6
179.07051	0.4
181.04808	0.1
205.04933	0.1
241.04907	0.1
242.05713	1.5
250.06854	0.2
258.05200	1.4
268.08066	0.5
270.05173	10.7
271.05618	0.7
273.03879	1.1
286.04633	1.4
287.05450	4.4
298.04587	0.5
299.05457	0.7
301.03348	3.1
302.04117	3.0
313.03387	0.7
315.04919	38.6
316.05597	6.0
331.08044	100.0
332.08405	5.0
430.14133	0.1
493.13336	10.7
494.13846	0.7
675.68726	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	655.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	2.4
53.90791	1.7
55.01808	2.7
55.05458	32.3
56.96496	2.3
57.07018	31.0
58.21098	1.5
67.05436	1.9
71.04955	2.2
80.69293	1.6
81.06969	1.9
83.04903	100.0
85.73405	2.2
91.05412	8.4
92.19440	1.8
95.04925	2.5
98.98389	8.1
105.06988	3.1
128.06207	10.8
129.07011	16.7
141.06982	3.0
147.08086	15.1
147.11670	16.4
151.01518	2.6
157.07607	2.3
175.01527	68.7
178.96397	1.8
181.02586	78.0
199.03729	3.8
227.04652	24.5
231.07823	3.1
239.04826	2.4
257.05707	9.5
271.08615	2.1
283.10864	8.7
313.11990	54.9
369.18164	15.7
543.18921	24.3
599.25250	60.2
655.31616	61.6
655.42517	4.0
656.31610	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	655.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	8.7
57.03365	4.2
57.06736	3.0
57.07010	78.7
60.42676	1.7
61.02862	23.0
67.05423	19.2
69.06985	15.9
71.08546	58.8
73.02819	4.0
73.35068	1.4
74.56911	1.7
79.05376	1.9
81.06976	27.7
83.08540	22.8
85.02826	21.8
85.10107	28.5
89.05943	2.5
91.03874	13.5
91.05352	2.2
91.68137	1.8
95.07966	2.1
95.08537	44.8
97.02823	8.1
97.10094	12.5
99.11665	2.5
104.10711	2.1
109.10097	19.2
123.11659	9.2
127.03877	2.6
137.13242	2.1
145.04898	3.7
163.06020	3.0
239.23639	22.1
257.24731	4.0
272.52863	2.1
313.27322	100.0
314.27658	2.9
331.28302	19.0
446.36176	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	655.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00242	2.0
55.01810	0.5
55.05449	9.5
57.03374	9.0
57.07013	90.1
57.16624	0.4
58.07341	0.7
59.04896	0.5
60.01447	0.5
61.02855	30.1
64.33615	0.5
67.05428	18.9
67.43231	0.4
69.03339	3.2
69.06990	16.4
71.04914	0.7
71.08546	68.3
72.08891	0.6
73.02825	12.5
75.04380	3.2
79.05423	1.0
81.03313	0.8
81.06974	28.2
83.08535	21.5
85.02827	26.5
85.10104	31.6
87.04424	0.8
89.05926	0.8
91.03876	26.8
92.10900	1.0
95.08531	42.8
96.08868	0.8
97.02817	14.0
97.10104	10.2
99.04379	1.1
99.11707	1.5
103.07511	1.3
107.08537	0.7
109.02809	0.9
109.10111	19.4
111.11672	1.1
113.13216	0.7
115.03860	0.9
123.11675	8.2
125.13216	1.0
127.03866	5.4
137.13216	2.6
145.04939	8.3
151.14757	0.7
163.06004	10.5
168.64305	0.5
211.01675	0.5
221.22627	2.2
223.82587	0.5
239.23650	27.3
240.24033	0.7
257.24695	6.1
275.25610	0.6
313.27310	100.0
314.27615	5.1
331.28363	22.3
331.31512	0.7
366.79941	0.6
474.98785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69417	0.4
59.42339	0.3
72.38969	0.4
86.17769	0.4
92.10177	0.9
95.08485	0.5
101.01440	0.5
160.56123	0.5
402.39438	0.5
410.07523	0.4
655.48975	100.0
656.49341	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	655.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26071	0.4
54.93771	0.3
55.05441	1.0
57.03354	0.8
57.50716	0.3
62.07145	0.4
67.05422	3.1
69.06961	1.8
79.05416	0.7
81.06978	3.3
83.08555	0.6
90.38585	0.4
91.05393	0.9
93.06980	1.8
95.08530	3.3
103.60809	0.4
105.06956	0.6
109.10107	0.6
130.26158	0.4
163.27606	0.4
319.22470	1.0
337.27472	0.4
375.25046	2.3
512.07855	0.5
655.48944	100.0
656.49292	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	655.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58960	1.2
59.67372	1.3
78.76900	1.3
95.24782	1.4
97.83995	1.6
100.17119	1.4
110.84848	1.6
127.53316	1.6
204.13573	1.7
525.54626	1.6
655.48975	100.0
656.49054	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	656.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	4.4
53.03888	4.3
54.81618	1.9
55.01812	5.4
55.05449	35.9
57.03377	34.2
57.07011	70.8
61.36151	1.9
63.20732	2.0
63.99101	1.9
67.05074	3.7
67.05428	76.0
69.03343	4.1
69.06645	4.2
69.06989	63.4
69.34373	2.1
71.04912	21.1
71.08549	50.0
75.90685	1.8
76.75508	2.0
78.52298	2.2
79.05412	75.5
81.03336	41.7
81.06975	100.0
83.04898	14.2
83.08537	26.7
85.10113	25.0
89.05982	2.1
91.05407	46.2
93.06968	56.0
95.04887	34.0
95.08530	61.5
97.06460	52.5
97.10089	13.6
99.08008	3.2
105.06966	36.9
106.71992	2.3
107.04919	14.7
107.08559	21.7
109.06487	31.9
109.10125	23.2
111.08078	2.4
115.07534	12.7
117.06986	19.5
119.08527	20.9
121.06469	2.9
121.10072	16.2
123.07985	4.7
125.09564	2.6
128.06140	2.6
129.06947	12.3
131.08537	25.7
133.06412	3.6
133.10074	21.9
135.08037	4.5
135.11626	3.8
143.08524	8.3
145.10136	12.1
147.08084	2.5
147.11694	5.1
149.09599	5.1
149.13255	4.7
157.10104	12.6
159.11769	4.5
161.09625	3.8
163.11133	4.0
167.08545	2.4
171.11700	8.9
175.11020	2.7
177.12698	4.3
180.24178	2.3
193.12254	10.5
227.12675	3.1
229.45663	2.4
239.23683	3.2
245.18979	3.2
255.17406	2.7
267.15833	17.5
269.17572	2.4
273.18448	22.1
291.19473	13.5
313.23645	3.0
313.27316	80.4
341.27026	3.1
347.22079	4.8
365.23099	5.1
387.97281	2.4
505.38821	17.2
507.40497	33.2
523.39514	5.1
585.44135	3.5
603.46014	22.0
621.47180	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	656.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81560	13.4
55.05460	27.9
57.03363	15.3
57.07007	29.3
60.59559	10.2
63.99900	12.0
67.05432	54.8
68.52850	10.5
70.86036	13.8
71.08539	18.9
79.05408	50.9
79.24513	10.5
81.06981	78.4
83.08528	11.4
87.54863	13.0
93.06973	20.9
95.08527	77.6
105.06950	11.9
107.08536	28.6
109.10091	28.7
109.49535	12.4
118.13273	12.6
119.08523	16.9
121.10107	18.2
131.08508	14.1
133.10109	12.8
158.34593	13.4
171.32672	12.1
277.21515	17.4
286.61682	12.6
313.27347	100.0
351.25595	18.5
451.92599	12.5
589.48071	62.0
607.48822	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	658.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00231	3.0
57.03360	3.0
57.07010	52.9
60.09171	2.5
60.48931	2.4
61.02848	15.5
67.05412	6.1
69.06985	11.5
70.06493	22.9
70.47941	3.0
71.08535	23.8
73.02833	3.5
81.06956	11.4
83.08522	3.5
85.02809	6.7
85.10115	19.3
86.09590	2.9
88.07546	24.1
91.03864	7.1
95.08504	18.9
97.02787	3.3
102.09079	19.4
104.10690	5.0
104.71529	2.8
107.40743	3.2
109.10104	12.0
113.87870	2.9
123.11717	2.7
127.03718	2.5
149.02289	52.1
163.05956	3.5
176.39578	3.8
193.04913	70.6
225.22073	16.2
237.07495	17.0
256.26263	46.3
257.26721	3.2
287.26578	2.9
299.25729	55.8
317.26880	29.6
341.06442	14.4
385.09198	27.9
429.11652	28.0
608.53668	3.7
658.35577	100.0
659.35461	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	658.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	0.5
57.06739	0.6
57.07008	11.5
58.06517	1.6
59.75322	0.3
62.05761	0.4
62.06016	7.2
65.29286	0.4
71.08537	6.0
72.08842	0.4
83.44866	0.4
85.10103	2.1
121.53878	0.4
137.01505	0.4
164.01729	0.4
189.05598	0.4
226.25253	5.5
244.26295	100.0
245.26622	5.2
547.40417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02879	2.9
53.00246	3.0
53.03888	3.8
55.01790	3.4
55.05452	42.7
57.03379	38.0
57.07013	76.6
60.12624	3.0
64.28527	3.3
67.05425	80.7
69.06988	44.7
71.04899	6.2
71.08549	49.0
76.56829	3.7
79.05415	40.6
81.06982	93.7
82.90457	3.2
83.04890	7.2
83.08552	34.3
83.46873	3.5
85.10112	22.1
89.05948	35.8
91.05398	43.1
93.06979	58.2
95.04883	8.3
95.08532	65.6
96.08895	3.2
97.06461	18.1
97.10109	19.4
105.06945	27.3
107.04916	7.3
107.08558	41.4
109.06459	6.5
109.10116	35.0
111.08042	4.2
113.05969	6.3
117.06979	12.2
119.08532	32.6
121.10110	16.9
123.11723	12.2
125.09584	3.6
131.08508	4.2
133.08580	15.5
133.10100	15.3
135.11668	18.4
145.10095	6.7
147.11681	7.4
149.09631	5.5
151.11168	3.6
159.11710	4.1
171.11626	3.6
183.11772	3.6
229.14398	5.8
252.98973	3.6
257.18890	5.8
275.20090	15.8
293.17789	3.8
309.20389	4.1
311.18564	6.6
313.27325	100.0
459.27429	6.6
467.37158	12.6
507.40219	56.8
547.43579	31.4
587.46771	29.3
605.45801	16.4
623.44830	7.8
659.44342	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	658.5609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81129	8.8
54.48669	7.9
55.05441	11.7
56.07626	8.9
56.85559	9.0
57.07016	19.3
61.82770	9.4
67.05413	43.8
67.21412	11.2
69.06963	14.2
69.64628	10.9
70.81654	8.9
71.08542	17.8
78.97631	9.4
79.05413	9.2
80.14609	11.6
81.06966	43.8
84.64025	9.7
85.10101	17.6
89.05982	100.0
93.06949	11.0
95.08526	18.2
109.10094	14.3
113.09566	16.9
118.87660	11.3
133.08557	41.5
140.78227	10.5
142.10959	11.5
177.11160	22.0
189.96933	11.2
217.93846	11.3
223.33421	11.0
269.63681	11.7
279.23276	37.3
313.27316	75.7
353.26593	14.1
459.27679	14.5
591.49646	59.8
657.49121	17.9
658.50330	25.6
686.26166	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	658.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81690	7.2
57.07019	35.1
57.36889	7.3
63.00760	7.7
65.68572	7.7
67.05420	42.0
69.06991	13.1
71.08542	40.6
79.05424	15.8
81.06963	51.1
85.10091	17.6
87.06800	9.7
89.05956	90.7
93.06963	14.2
95.08540	55.6
107.08536	18.3
133.08572	16.1
143.45990	10.2
223.22110	9.1
257.24512	9.1
279.23218	38.7
282.30673	10.3
313.27264	100.0
353.26733	69.7
459.27826	14.8
466.65408	9.7
525.99969	11.1
591.49500	60.7
609.05634	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	659.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82247	1.3
56.88813	1.1
57.62985	1.1
63.42277	1.3
63.60104	1.2
69.67876	1.4
80.94761	1.9
81.06963	1.7
89.05973	3.4
133.08612	1.6
145.65898	1.7
294.00897	1.4
397.75583	1.9
557.12866	1.6
659.28619	100.0
660.29053	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	660.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35817	0.1
70.82262	0.1
74.09232	0.2
74.09630	4.9
82.89643	0.1
90.55819	0.1
96.14999	0.1
96.96824	1.1
98.58241	0.1
110.82230	0.1
112.05192	0.1
115.71291	0.2
119.56947	0.1
130.05324	0.2
130.06267	5.4
156.04184	100.0
157.04556	0.9
200.07613	0.2
218.08690	0.2
267.26138	0.1
317.15588	0.1
474.67059	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	660.249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47376	0.2
56.97665	0.2
60.02375	0.2
79.05411	0.4
85.02821	0.4
91.05383	0.3
93.06950	1.2
103.05393	5.6
107.04901	1.6
111.04378	1.6
120.08050	100.0
121.08385	2.4
127.04956	0.4
131.04857	3.0
139.03871	2.9
149.05946	1.4
154.76909	0.2
161.01147	0.3
166.08588	24.7
171.06480	2.7
235.07919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28993	1.5
55.01808	7.8
55.05183	3.5
55.05448	87.3
57.03365	10.0
57.07009	39.8
67.05427	38.2
67.17883	1.6
67.28487	1.6
69.03345	4.3
69.06989	21.6
71.04902	1.9
71.08550	23.2
79.05405	31.4
79.21167	1.6
81.06974	40.6
83.04893	9.3
83.08095	3.2
83.08542	53.0
85.10108	14.1
89.06006	1.7
91.05384	4.1
93.06970	12.5
95.08525	20.9
97.10095	100.0
107.08523	27.4
109.06431	2.1
109.10103	17.0
117.06971	2.1
121.10068	1.8
125.09585	70.5
133.08582	1.8
135.08031	7.1
143.10655	8.4
153.09081	15.9
157.06894	2.1
171.10138	2.1
181.18538	2.3
189.11182	41.5
199.13264	2.0
227.12715	35.8
235.16869	1.9
239.23752	2.0
245.13724	11.6
313.27344	17.6
314.27533	2.9
369.22632	35.1
370.23010	3.3
387.23718	36.2
387.91681	1.8
388.23795	2.2
455.37082	22.6
483.36673	30.6
507.40024	2.9
625.46539	52.7
626.47009	3.0
660.42737	2.6
661.45935	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00260	2.3
55.01804	8.6
55.05452	43.3
57.03371	25.5
57.07011	85.6
58.07349	1.5
59.50281	1.5
65.03861	2.4
66.64987	1.4
67.05428	100.0
67.05784	4.1
69.06981	34.7
71.04910	6.5
71.08549	67.6
79.05415	38.7
79.35343	1.6
79.89070	1.5
81.06500	3.3
81.06978	99.1
83.04895	7.0
83.08538	38.2
85.06465	7.5
85.10102	32.8
88.23644	1.7
89.05965	4.1
91.05415	25.4
92.14716	2.1
93.06965	40.8
93.85276	1.7
95.04903	10.7
95.08525	63.4
97.06451	9.8
97.10095	27.6
99.08034	9.2
99.61430	1.7
103.07517	2.0
105.06964	14.8
107.08539	33.4
109.10105	64.4
111.08016	9.8
111.11639	1.8
117.06967	3.6
119.08542	12.7
121.10098	9.1
123.11673	11.3
125.09593	10.4
131.08545	7.7
133.10126	13.1
135.07974	2.0
135.11674	8.4
137.09529	2.1
137.13264	3.0
147.11696	4.2
149.13263	10.2
151.11166	6.8
159.11736	2.7
161.13216	2.4
166.78043	1.7
173.11688	10.7
189.11201	3.3
198.49982	1.9
227.12669	20.8
229.14307	28.2
259.20337	2.2
269.17377	19.2
277.21545	10.6
289.17902	1.8
295.22412	2.3
313.27307	81.4
314.27600	3.0
351.25098	13.7
369.26401	3.3
411.34470	3.5
450.02145	1.9
467.37158	43.2
468.37344	2.6
491.41116	2.0
507.40344	90.0
508.40543	9.4
525.42181	2.2
538.64160	2.0
542.41974	2.1
589.47937	21.9
590.48572	3.0
606.69641	2.3
607.49109	15.1
660.45007	3.0
661.45844	8.3
688.12378	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	661.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24641	1.2
54.23766	1.3
54.81242	1.3
55.01817	1.8
55.05463	1.6
57.06997	4.0
61.61838	1.3
62.68485	1.5
67.05419	7.7
69.07011	2.3
71.08533	2.9
78.60721	1.7
79.05415	1.6
81.06975	9.7
83.08549	2.6
85.29384	1.8
93.07003	2.3
94.48859	1.5
95.08532	3.7
109.10097	2.6
178.02951	1.7
349.19669	7.4
394.60977	1.8
405.22498	2.7
417.66071	1.6
429.87009	1.8
661.46320	100.0
662.46552	11.5
694.43365	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
53.03885	4.4
54.05558	2.8
55.01794	3.1
55.05454	46.8
57.03377	30.5
57.07006	13.5
61.86053	3.0
65.03904	3.2
67.05431	77.9
69.06978	26.1
71.08554	3.8
74.56808	3.0
77.47889	3.2
79.05398	87.0
81.06974	99.4
83.08537	16.4
85.06425	4.8
86.31940	3.8
86.49812	3.5
91.05408	100.0
92.10284	11.4
93.06973	92.4
95.04879	13.0
95.08527	62.4
95.22668	3.4
97.10088	7.2
105.06975	89.0
107.08530	53.2
109.06454	7.8
109.10114	24.4
117.06953	29.7
119.08529	62.9
121.06457	4.2
121.10123	31.4
123.07988	5.7
129.06946	19.5
131.08508	33.3
133.10103	44.5
135.11641	20.9
143.08508	19.1
145.10083	27.1
147.11661	18.1
149.13257	4.8
157.10094	16.8
159.11679	27.8
161.13219	14.4
169.10030	6.0
171.11620	14.3
173.13293	14.3
181.09883	4.5
183.11766	4.2
183.20467	3.3
187.14735	4.1
213.24756	3.9
241.19511	3.9
259.20517	19.0
277.21558	8.0
315.23138	4.3
320.43930	3.6
333.24100	16.6
351.25140	13.3
508.17517	3.9
609.44891	32.9
661.48737	4.2
662.47174	36.8
663.48285	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19894	2.9
51.06669	3.1
53.03873	5.0
54.35908	2.7
55.01801	4.6
55.05447	39.2
57.03373	29.2
57.06991	7.1
58.61580	2.9
63.58608	2.9
64.69478	3.1
67.05428	100.0
69.06976	23.5
71.08533	4.1
79.05409	88.4
81.06975	96.7
83.04884	7.2
83.08516	15.0
85.06461	4.0
91.05404	75.5
92.10916	7.0
93.06974	83.8
95.04885	8.2
95.08527	72.4
97.06458	8.0
97.10077	3.9
99.11181	3.4
100.21223	3.9
105.06967	62.3
107.04901	3.9
107.08541	45.1
109.06502	8.5
109.10095	24.3
117.06937	25.3
119.08544	49.0
121.10128	29.9
123.11669	6.1
125.44431	3.3
126.87589	3.6
129.06953	4.6
131.08513	29.3
133.10086	27.7
135.07930	4.7
135.11662	8.5
137.09554	3.8
143.08560	7.4
145.10088	21.0
147.11630	7.7
149.13222	5.8
157.10147	6.8
159.11690	15.2
161.13252	4.8
185.13272	5.2
199.14745	5.2
228.38889	3.7
277.21536	5.2
312.54761	4.3
333.24078	6.7
335.25882	7.7
351.25116	15.2
495.45120	4.4
569.41687	19.2
609.45032	15.0
661.46069	17.8
662.46869	62.6
663.47577	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81290	2.4
56.04981	2.2
56.96485	4.1
63.24252	2.2
67.31760	2.7
70.06503	38.5
72.08074	5.6
77.54207	2.5
84.04443	10.8
84.08060	17.8
86.09619	5.4
89.39503	2.6
100.84986	2.7
110.07149	5.0
120.08007	3.7
129.10205	5.2
134.10536	2.8
145.02866	3.7
157.09766	2.8
177.05469	5.6
234.31622	3.0
353.03415	4.2
355.04669	5.6
357.02682	27.4
359.04214	4.8
363.01788	4.4
367.04404	10.5
369.02667	4.6
371.04324	30.9
375.03726	26.5
381.02744	42.8
383.04117	5.4
385.05823	6.0
387.03818	25.2
389.05359	29.0
393.02866	16.0
395.04364	10.4
399.03787	100.0
400.04254	4.1
401.05307	17.0
405.04703	11.5
411.03818	47.6
413.05228	16.9
417.04492	17.6
423.03915	11.7
429.04865	47.6
431.06125	6.5
441.04758	39.6
453.04724	5.8
459.05856	22.4
471.05783	23.6
483.05753	13.1
486.31143	2.9
501.06876	15.8
513.07129	25.2
531.07874	16.2
543.08044	41.3
561.08783	2.9
597.92780	3.0
603.09906	23.7
615.74506	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96507	5.8
60.04463	2.3
61.01066	2.0
64.71947	2.1
67.91718	2.1
70.06508	42.1
74.50103	2.2
84.04414	4.3
84.08080	12.4
85.02824	4.7
86.09625	4.4
90.69810	2.7
102.35828	2.3
110.07111	10.6
120.60634	2.5
127.03934	2.9
129.10161	2.8
171.34760	2.9
264.43588	2.5
305.16119	2.8
328.30707	2.5
353.03287	4.1
355.04919	2.9
357.02716	43.3
359.04312	5.4
363.01538	3.1
369.03006	4.6
371.04459	30.5
375.03812	35.4
381.02747	67.7
382.02774	4.2
383.04175	9.2
385.05972	5.0
387.03635	26.7
387.51743	2.7
389.05301	18.5
393.02670	13.3
395.04379	14.6
399.03793	100.0
400.04086	12.3
401.05246	14.8
404.04526	3.0
405.04794	5.4
411.03726	39.4
413.05234	15.3
417.04681	11.3
419.06802	3.2
423.03720	12.1
429.04852	56.2
431.06430	5.6
441.04865	40.9
447.05991	5.8
453.05057	4.0
459.05902	15.8
471.05844	8.9
483.05701	3.6
501.06726	9.0
513.06763	40.1
514.07318	3.8
519.07690	3.5
531.08228	33.3
543.08075	43.6
543.95496	2.9
561.08868	10.8
603.09882	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	663.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00255	1.6
54.27026	0.9
54.82259	0.9
57.01540	0.8
57.06731	1.9
57.07016	56.5
76.56924	1.2
91.05405	5.9
105.06979	1.8
147.11693	8.1
153.06932	2.1
162.11697	0.9
233.03575	5.3
251.04604	16.9
264.00015	1.0
307.10999	2.0
317.38400	1.2
327.07761	100.0
328.08093	2.4
383.14001	52.3
383.18936	2.0
384.14359	1.6
439.20258	65.0
440.20782	1.4
454.62805	1.1
495.26483	44.3
533.34009	1.3
551.32764	40.3
607.30011	1.6
607.39081	34.1
608.39429	2.1
642.50000	1.1
663.45374	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	664.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30573	2.4
52.35965	2.3
52.61866	2.2
53.00252	2.7
53.03884	5.7
55.01815	5.2
55.05447	34.6
57.03380	20.8
57.07005	9.8
67.05429	88.9
69.06986	25.6
71.08542	15.4
74.09136	2.3
76.11924	2.4
76.64588	2.2
79.05410	77.3
81.06981	88.9
83.03914	2.5
83.04900	2.9
83.08548	12.7
91.05404	59.4
92.10229	3.3
93.06973	100.0
95.04868	10.4
95.08531	60.6
97.06458	5.5
97.10104	3.7
99.08025	7.0
105.06973	39.5
107.08527	44.9
109.06460	3.0
109.10135	22.6
111.08051	3.0
117.06989	19.2
119.08530	37.3
120.08823	2.5
121.10107	28.2
123.08079	3.0
129.06952	5.9
129.21170	2.4
130.17128	2.5
131.08540	30.3
133.10094	23.6
135.11613	19.4
138.48798	2.6
143.08556	11.3
145.10138	25.4
147.11714	10.6
149.13185	5.5
157.10072	4.0
159.11676	16.6
161.13277	6.1
163.14839	3.5
173.13274	5.5
179.14308	17.5
185.13231	4.6
187.14735	3.0
209.26491	3.5
243.20984	3.4
261.22070	6.7
277.21515	11.7
316.89862	3.0
335.25772	25.7
341.25085	2.8
346.88647	2.7
351.25189	17.2
611.46625	68.7
612.46466	6.7
629.47089	4.3
663.47876	4.1
664.48279	47.9
665.42438	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	664.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	3.0
53.03887	2.2
55.01812	2.3
55.05455	43.1
57.03376	24.1
57.07005	6.9
57.54732	1.2
65.03865	2.2
67.05429	100.0
68.05745	2.1
69.03343	1.8
69.06641	2.3
69.06986	34.6
71.04920	2.4
71.08550	14.5
79.05411	66.2
79.87022	1.3
81.03257	1.2
81.06976	96.2
83.04902	5.0
83.08536	17.9
85.06457	5.6
91.04835	2.1
91.05406	61.0
93.06970	70.8
95.04912	13.6
95.08533	74.5
97.06451	8.4
97.10088	5.8
99.08026	8.6
105.06270	1.9
105.06973	55.5
105.07644	2.5
107.04909	2.9
107.08541	38.0
109.06486	8.9
109.10107	22.5
111.08035	3.1
115.05399	1.5
117.06968	21.5
119.08533	38.7
119.09327	2.3
121.10093	19.3
123.08044	3.0
123.11665	7.0
125.09579	2.0
128.06210	2.0
129.06976	8.3
131.08533	27.0
133.10104	22.5
135.11638	12.2
137.09538	1.9
137.13249	1.7
142.07730	1.7
143.08560	9.0
144.09164	1.4
145.10110	16.5
147.11655	21.7
149.09621	3.0
149.13229	6.1
154.69669	1.5
155.05959	1.3
155.08603	2.0
157.10075	8.8
159.11674	14.9
161.09541	1.5
161.13136	8.9
163.11234	2.1
165.12741	1.8
169.10156	2.0
171.11726	5.8
173.13240	4.7
175.14732	2.6
179.14319	1.3
183.11597	1.4
185.11783	1.3
185.13139	12.0
187.14801	1.9
201.16481	1.7
203.14313	2.7
219.17484	2.3
239.17906	1.8
257.18997	6.8
259.20444	2.8
267.15784	2.3
275.19992	14.6
277.21552	3.0
279.23190	5.0
331.22546	1.7
333.24454	1.9
335.25806	6.2
337.27338	30.8
337.50369	1.4
349.23526	13.7
351.25244	5.9
353.26871	6.8
516.99341	1.3
531.39691	1.6
605.76251	1.5
611.46613	20.6
612.46844	2.6
629.47650	8.8
663.47095	6.8
664.48157	20.4
665.49390	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	664.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03033	1.6
53.00241	3.2
53.03872	5.0
54.81726	2.4
55.01800	3.4
55.05228	1.9
55.05455	39.0
57.03382	20.3
57.07001	9.5
65.03854	3.3
67.05081	4.0
67.05428	100.0
68.05734	3.1
69.06992	35.8
69.18473	1.7
71.04893	11.6
71.08562	2.0
76.97393	2.1
77.05554	1.8
79.05405	85.1
81.03327	4.6
81.06975	98.6
82.07304	2.5
83.08535	17.4
84.92996	1.9
85.06484	3.0
90.69372	2.0
91.04888	3.4
91.05401	51.9
92.05711	3.0
93.06973	90.8
95.04882	16.8
95.08534	73.2
97.06458	4.5
97.10055	3.3
104.74384	2.1
105.06962	44.9
107.08542	40.5
109.06441	3.5
109.10104	24.3
117.07015	15.8
119.08532	37.5
121.10095	36.4
123.08034	2.9
123.11635	3.6
129.06953	4.8
131.08522	21.6
133.10097	30.2
135.08037	2.3
135.11638	16.1
143.08501	2.8
145.10118	17.9
147.11641	15.8
149.13243	8.7
150.83174	2.2
157.10095	3.1
159.11674	14.1
161.13232	10.7
163.11169	3.5
163.14751	2.1
165.12653	2.4
171.11594	4.8
173.13219	10.9
175.14848	3.8
185.13199	3.3
241.19687	3.1
259.20477	11.7
261.21982	2.9
271.78244	2.2
277.21564	35.6
315.93292	2.1
317.24811	2.8
333.24191	3.7
335.25732	37.6
341.65945	2.0
351.21542	2.0
351.25171	20.8
425.02283	2.4
611.46588	40.0
629.47412	22.3
630.47552	2.4
663.46985	10.0
664.47827	67.0
665.46832	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	664.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37371	5.6
55.05445	30.8
57.03366	9.3
57.06997	13.1
65.51946	6.4
67.05427	100.0
69.06974	26.7
79.05408	53.3
81.06970	79.6
81.19389	6.6
83.08528	12.6
91.05408	27.9
93.06973	71.9
95.08530	70.7
105.06968	13.0
107.08536	30.2
109.10149	26.7
119.08556	13.1
120.08703	6.1
121.10090	28.0
133.10133	10.3
135.11636	14.7
148.88338	5.9
159.11737	7.1
174.20399	6.2
211.59297	7.9
243.20984	11.5
261.22083	29.1
316.74615	8.6
335.25848	48.7
337.27411	55.2
436.46909	7.4
597.48334	16.4
615.49200	41.2
664.46204	13.2
665.46875	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	31.4
55.09978	3.2
57.03365	5.6
57.07018	6.9
59.47762	3.2
67.05424	95.0
69.06980	24.8
76.56327	4.3
79.05402	51.9
81.06974	100.0
83.08531	18.2
85.78841	4.1
91.05402	27.2
93.06972	75.7
95.04911	6.8
95.08524	73.8
96.63005	4.2
97.10084	4.5
105.06963	26.7
107.08537	33.1
109.10110	17.1
117.06976	4.2
119.08526	8.4
121.10078	22.5
123.11639	7.0
131.08502	17.3
133.10081	7.5
135.11620	6.9
145.10072	7.3
147.11711	5.3
161.13292	5.5
163.14799	5.1
261.22104	8.3
273.21698	3.8
335.25638	15.3
337.27222	26.7
375.05728	4.2
390.86761	4.3
471.04443	4.3
597.48798	29.0
615.49323	26.6
664.45947	5.6
665.47498	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	665.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55519	0.3
58.00013	0.3
58.06538	0.6
59.07283	0.4
59.28973	0.4
61.52594	0.3
80.46487	0.4
80.78650	0.4
88.14201	0.4
105.82123	0.4
110.44400	0.4
118.08614	10.5
126.23447	0.4
158.03986	0.6
173.03032	1.9
183.93097	0.4
185.02925	0.4
245.05067	2.2
305.06998	0.5
313.96863	0.5
405.40442	0.4
463.36530	0.4
624.97668	0.4
665.16785	100.0
666.17236	7.6
676.46838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
68.41205	0.6
68.59250	0.7
70.32147	0.7
73.14622	0.6
80.68966	0.6
88.59855	0.6
111.53741	0.6
120.72380	0.7
127.14536	0.6
131.17117	0.7
136.06122	1.2
143.95468	0.7
146.01122	0.8
195.74225	0.7
278.10995	0.7
355.59933	0.7
403.73965	0.7
545.78693	0.8
548.02356	0.7
570.26727	0.9
570.49451	0.8
665.16815	100.0
666.17194	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	665.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71827	0.8
55.05453	2.1
56.41978	0.8
57.03375	1.5
59.04929	1.9
63.11115	0.8
63.81264	0.7
67.05421	5.4
69.06988	1.8
79.05402	3.8
81.06974	6.0
83.08577	1.4
91.05387	2.1
91.10321	0.9
92.10974	2.1
93.06979	4.8
95.08533	4.3
97.06496	0.9
105.06965	3.3
107.08495	2.2
109.10117	1.4
119.08544	1.5
145.10025	1.6
149.13295	1.1
206.38469	1.1
245.87315	0.9
332.64059	1.0
337.23514	5.5
393.26068	3.6
471.87967	1.1
612.47028	1.8
665.49872	100.0
666.50519	13.4
686.00928	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25490	4.5
55.05434	20.3
57.07007	57.5
63.09124	3.9
63.15508	4.2
67.05418	37.2
69.06963	17.4
71.08523	4.7
75.70889	4.2
79.05386	22.4
81.06976	42.9
83.04874	19.4
83.08529	6.0
91.05389	25.9
93.06937	37.5
95.04892	5.7
95.08525	24.5
97.10078	7.3
103.89460	3.6
105.06953	21.0
109.10112	9.3
117.06966	5.8
119.08533	9.5
121.10069	10.2
123.60474	4.0
129.06880	6.1
131.08533	7.4
133.10068	9.8
141.06975	7.7
143.08565	5.7
145.10098	4.2
147.02051	6.5
147.11655	45.7
159.48669	4.9
180.14488	4.9
213.97772	4.3
213.99896	4.3
223.05136	44.2
241.06105	5.1
245.67657	4.1
271.20471	4.9
279.11334	18.7
302.57819	4.4
329.27985	4.6
402.23444	4.2
433.15048	15.3
509.18362	9.8
565.24329	7.2
613.47131	9.2
621.30920	100.0
622.30420	6.4
665.49603	83.2
666.49957	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35171	0.1
55.05433	0.7
55.87746	0.1
56.04960	0.8
57.06997	0.3
58.06512	0.2
60.08095	9.6
67.05418	0.2
71.06937	0.2
71.07291	4.8
72.70774	0.1
79.73583	0.1
81.06973	0.2
83.08536	0.3
86.09626	47.5
87.09956	0.2
92.64404	0.1
95.08474	0.2
97.10120	0.2
98.14555	0.1
98.98392	3.9
104.10677	3.3
116.99485	0.2
124.99963	33.1
131.66313	0.1
143.01030	0.9
184.07303	100.0
185.07619	1.1
276.13000	0.2
388.11960	0.2
392.81778	0.2
420.63943	0.2
437.52069	0.2
666.43292	10.8
667.43378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.53
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	2.3
53.03895	1.6
55.01815	3.4
55.05453	32.8
57.03375	14.9
57.07013	12.8
65.03864	2.4
67.05427	95.7
68.05756	1.4
69.06986	27.9
71.04909	2.0
71.08543	21.0
75.36140	1.3
77.38032	1.3
79.05408	63.0
81.06976	100.0
82.07360	1.4
83.04905	3.3
83.08533	18.2
85.06441	1.8
85.10102	9.9
91.05396	36.6
93.06968	74.2
94.07253	1.5
95.04887	6.6
95.08530	85.2
97.06443	2.5
97.10081	5.9
99.08028	13.8
102.44579	1.3
105.06979	28.4
107.08541	33.8
109.06482	2.9
109.10107	27.8
111.08069	2.1
113.09608	8.9
113.72566	1.6
117.06975	9.2
119.08526	18.0
121.10104	24.7
123.11645	7.4
125.09575	1.8
129.06953	2.6
131.08533	18.0
133.10098	13.8
135.11656	14.6
137.13252	2.2
145.10077	10.1
147.11644	16.7
149.13264	11.1
151.11253	2.1
151.39940	1.3
157.10110	1.7
159.11661	9.1
161.13235	8.4
163.11156	2.4
163.14822	6.1
165.12746	1.7
167.14236	2.1
173.13214	5.2
175.14713	2.2
177.16289	1.5
187.14804	1.9
243.21019	8.5
261.22043	13.8
279.23099	19.5
317.24762	1.8
335.25723	66.7
336.26068	1.8
337.27408	2.0
353.26813	34.6
371.27896	3.0
531.39850	1.6
613.48132	51.6
614.48047	2.8
631.49597	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	666.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12711	1.1
53.00257	1.3
53.03896	3.3
55.01816	1.5
55.05189	1.8
55.05454	43.3
57.03379	17.4
57.07026	2.9
63.32722	1.2
65.54193	1.3
67.05431	97.1
69.06987	45.1
71.04590	1.3
71.04914	11.7
79.05411	51.5
81.06980	100.0
83.04893	6.2
83.08543	18.5
85.06474	2.8
85.59087	1.5
91.05412	39.5
92.10148	2.5
93.06980	72.9
95.04926	8.5
95.08537	78.4
97.06471	9.4
97.10120	5.8
99.08054	2.1
105.06979	34.8
107.08540	36.9
109.06461	3.5
109.10104	29.4
111.08038	2.0
117.06981	9.0
119.08540	26.7
121.10101	28.8
123.08032	3.7
123.11657	6.0
129.06992	3.7
131.08559	12.6
133.10091	23.2
135.11679	12.9
141.19644	1.6
143.08575	2.7
145.10109	8.6
147.11656	16.2
149.13257	8.7
151.11162	1.6
157.10139	2.6
159.11682	7.0
161.13257	8.8
163.14853	1.9
171.11708	2.7
173.13232	8.5
175.14796	3.2
185.13216	2.5
187.14796	2.4
241.19514	2.9
259.20441	10.3
274.50089	1.6
277.21597	26.0
295.22787	2.3
333.24179	2.0
337.27322	70.8
351.25253	29.2
352.25629	2.1
369.26343	5.4
370.01770	1.9
532.02600	1.9
533.38885	1.9
613.48230	31.9
614.48303	3.5
631.49146	25.0
632.49438	2.5
650.73383	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	666.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	1.9
53.03886	5.5
54.81897	1.3
55.01805	7.1
55.05453	54.2
55.61432	1.1
56.05790	1.1
57.03372	11.3
57.06999	2.7
65.03857	1.4
67.05431	100.0
69.03343	3.2
69.06650	2.0
69.06988	34.5
71.04931	1.7
71.08186	1.6
71.08550	32.4
73.06442	1.1
76.56474	1.3
79.05406	48.5
81.03316	2.2
81.06975	96.7
83.04906	8.1
83.08546	27.7
85.06455	2.9
91.05407	34.1
93.06972	45.0
95.04885	6.5
95.08532	63.9
97.06444	5.2
97.10107	37.7
98.11806	1.2
99.08036	13.4
105.06966	25.9
107.08533	28.4
109.06451	1.7
109.10105	34.5
111.08023	3.3
117.06989	6.1
119.08529	19.8
121.10081	13.2
123.11621	4.4
125.09595	24.2
131.08534	5.1
133.10100	9.3
135.08023	2.1
135.11687	9.9
141.84561	1.4
145.10089	5.5
147.11665	9.1
149.13225	3.1
151.11147	9.7
161.13228	7.7
163.11163	2.6
163.14748	3.3
171.10054	2.1
173.11676	1.4
173.13129	1.9
175.14803	2.0
177.12747	1.5
179.14323	2.3
189.11177	13.3
227.12738	44.8
259.20560	1.9
277.21484	14.2
337.27322	25.4
338.27673	1.5
351.25269	22.6
435.34406	7.6
491.37210	11.3
507.36649	6.3
515.40723	9.0
548.42639	1.5
613.48114	27.0
631.48889	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15408	0.3
54.81206	0.3
57.06770	0.4
57.07014	7.3
57.72305	0.3
69.06988	0.4
70.06512	9.7
71.08207	0.4
71.08540	3.7
74.39656	0.3
77.41193	0.3
81.06954	0.4
85.10098	0.5
88.07551	16.4
102.09113	4.4
106.08612	8.3
107.35753	0.3
107.55944	0.3
109.33178	0.3
129.99026	0.3
133.22720	0.3
169.33252	0.3
189.28438	0.4
194.41867	0.3
230.24792	0.6
256.26273	7.3
266.24722	0.6
274.27344	100.0
275.27676	3.3
292.14059	0.3
375.29904	0.6
393.31067	2.6
425.06403	0.4
498.44296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81490	0.5
56.96502	19.6
56.96765	0.8
65.48255	0.3
70.37152	0.3
71.95164	1.0
72.95932	0.8
74.97469	0.5
76.48377	0.4
77.23108	0.4
92.98545	0.6
110.21600	0.4
146.99503	0.5
155.03743	0.6
158.91750	0.5
169.05267	0.6
187.06297	0.6
189.07982	0.5
193.07428	0.7
199.40887	0.4
203.09496	0.6
205.07426	6.7
212.83099	0.4
213.07945	0.7
217.07547	0.5
223.08162	3.0
223.10062	2.2
231.09001	0.9
239.09508	2.3
241.11055	45.2
242.11345	2.1
245.10547	0.6
255.12804	0.5
257.10458	2.8
259.12122	100.0
260.12457	3.8
264.12711	2.4
271.12042	0.5
273.13562	0.6
277.13223	1.8
282.13797	2.7
317.17914	0.5
323.18942	2.0
335.18887	5.2
353.19919	44.5
354.20325	2.8
371.20975	62.0
372.21384	3.6
389.22009	5.2
394.22675	4.4
667.44476	38.0
668.44720	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	667.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01802	0.6
55.05442	3.2
57.03378	0.4
57.07012	0.7
59.06063	0.6
60.05574	0.7
60.40714	0.5
67.05432	5.3
69.06981	2.1
73.06460	2.2
78.40146	0.4
79.05389	3.8
81.06973	3.9
83.08537	0.8
91.05409	4.2
93.06973	4.9
94.71838	0.5
95.08541	3.6
105.06993	2.7
107.08555	2.1
109.10089	1.0
119.08543	1.1
121.10125	0.7
131.08553	1.1
133.10097	1.1
135.11627	1.0
139.66554	0.5
145.10036	0.7
147.11685	0.6
171.11696	0.6
211.09460	1.0
317.20901	2.3
361.43881	0.5
373.23627	2.1
402.24872	0.5
585.89069	0.6
613.48468	0.6
614.47931	0.9
667.45306	100.0
668.45538	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	668.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18870	1.0
52.53321	1.1
61.02836	1.8
62.55193	1.2
65.03858	1.4
68.81871	1.3
69.03339	5.5
69.08880	1.2
70.06499	1.5
72.78568	1.1
80.04935	16.9
81.03330	2.4
85.02818	27.5
91.03886	1.7
91.59993	1.3
97.02829	12.3
102.53416	1.3
108.04398	5.9
111.04334	1.3
123.54237	1.2
124.03861	3.1
127.03836	6.5
134.00038	1.2
136.03880	14.7
137.18690	1.3
145.02730	1.4
145.04953	8.2
148.03859	1.9
163.06053	2.3
164.03389	100.0
177.03778	1.2
177.05440	5.2
182.04466	12.4
193.97768	1.2
252.49355	1.6
279.82132	1.5
301.14673	1.4
323.75955	1.6
333.77039	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	668.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64158	6.0
55.05443	7.8
57.07018	49.4
67.05414	8.8
68.80222	4.8
75.09798	5.3
83.04897	70.2
85.82600	5.1
91.05415	12.9
92.10927	7.4
95.08577	8.3
96.19803	5.5
105.06965	13.6
119.08553	9.3
136.92340	5.3
141.06934	8.7
147.11679	48.9
152.23024	6.5
165.12753	7.2
182.70207	6.1
209.81039	5.9
239.04530	6.1
267.61560	6.1
337.02365	63.8
393.08585	27.0
469.11557	7.0
525.17828	12.6
581.24060	45.0
591.25720	6.1
637.30402	100.0
668.45831	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	668.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00264	1.1
53.03896	1.2
55.01805	4.4
55.05453	32.7
55.22807	0.8
57.03379	11.5
57.07005	6.6
59.04928	1.3
64.11307	1.1
65.03893	1.2
67.05429	99.2
68.05760	1.2
69.03344	1.1
69.06989	43.7
71.04908	4.7
71.08533	5.8
71.32611	0.8
76.55499	1.0
79.05413	39.7
80.05779	1.1
81.06978	100.0
83.04900	5.3
83.08540	17.7
85.06467	5.2
85.10101	4.9
91.05408	18.9
92.10902	2.0
93.06976	40.9
94.07284	1.4
95.04882	5.0
95.08536	73.2
96.08856	1.7
97.06451	5.9
97.10104	10.5
99.08006	2.0
105.06960	13.0
107.08538	21.4
109.06441	1.2
109.10114	35.9
110.10448	1.2
111.08060	2.3
111.11656	1.7
113.09536	1.2
117.06953	2.2
119.08533	9.9
121.10101	15.9
123.11662	10.1
125.09589	2.5
131.08504	4.7
131.35403	1.0
133.10103	10.2
135.11674	10.0
137.13237	5.3
139.11150	4.5
145.10092	4.3
147.11655	5.2
149.13248	5.9
151.14824	1.2
159.11630	2.3
161.13185	2.2
163.11137	1.6
163.14827	2.1
173.13203	1.8
175.14839	1.6
177.12747	1.0
189.16217	1.5
201.16402	1.2
227.12813	1.5
229.14201	1.8
261.22256	8.3
263.23779	1.9
279.23151	13.8
280.23328	1.6
337.23523	2.0
337.27319	39.6
338.27673	2.3
353.26746	31.9
354.27441	1.3
371.27859	3.9
372.03818	1.1
410.50647	1.2
423.59976	1.0
466.79617	1.3
491.37006	2.1
597.48029	1.2
615.49750	40.5
616.49994	4.2
623.87714	1.1
633.50751	30.5
634.50385	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	668.5457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	2.2
55.01797	2.8
55.05449	32.6
57.03371	17.2
57.07010	8.6
67.05426	93.9
68.91308	1.0
69.06985	33.8
71.04915	2.3
71.08543	19.9
76.55569	1.0
79.05405	33.5
81.06977	100.0
82.07277	1.4
83.04893	4.8
83.08534	15.4
85.06458	2.7
85.10110	15.2
88.95947	1.0
91.04900	1.2
91.05412	19.6
93.06972	34.6
95.04893	2.3
95.08536	81.5
96.08868	1.1
97.06434	2.6
97.10102	7.4
99.08012	9.6
105.05096	1.2
105.06971	18.7
106.07353	1.1
107.08524	18.2
109.06461	2.5
109.10105	25.5
111.08013	2.1
113.09589	11.7
117.06934	1.7
119.08527	12.8
121.10120	13.0
123.07999	1.8
123.11665	9.1
131.08499	6.4
133.10085	11.7
135.11678	8.8
137.13304	1.2
145.10074	4.5
147.11705	10.7
149.09584	1.1
149.13205	6.5
151.14812	1.4
153.12766	1.6
159.11613	1.7
161.13211	6.6
163.14742	5.0
173.13249	2.6
175.14810	1.9
202.29150	1.2
243.21135	4.1
261.22055	5.4
261.49606	1.2
279.23138	21.0
310.49081	1.3
319.36331	1.1
335.25546	1.6
337.27325	61.3
337.31415	2.0
338.27686	2.7
353.26779	28.7
371.27820	2.6
475.68723	1.1
501.75644	1.3
515.41626	1.4
615.49695	41.8
616.49908	4.3
633.50781	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	669.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	1.3
56.35453	0.9
57.06992	1.1
57.59757	0.8
60.05576	1.8
61.45946	0.9
67.05418	4.4
79.05392	1.5
79.47357	1.0
81.06991	5.3
91.05431	1.3
93.06973	3.5
95.08527	2.3
119.08591	1.1
154.19763	1.0
271.01050	1.1
317.20813	7.4
344.30118	1.1
373.23328	2.0
397.60986	1.2
669.46851	100.0
670.47137	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	669.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15742	0.5
57.03371	0.6
67.05425	2.7
69.06961	0.7
79.05412	0.8
81.06978	3.2
91.05413	0.9
92.10148	1.3
93.06991	0.8
95.08546	2.7
105.06989	0.8
107.08524	0.8
107.21418	0.6
109.10094	0.8
133.10133	1.0
164.57445	0.7
242.97687	0.6
317.20856	0.9
335.22034	1.4
668.45886	3.8
669.46832	100.0
670.47119	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	670.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81458	0.6
55.05445	0.5
58.63285	0.6
63.36016	0.5
67.24178	0.6
69.03350	1.2
70.06514	7.1
78.34676	0.6
81.03335	3.9
84.04427	2.5
84.08098	2.4
85.02822	3.3
86.09622	0.7
89.03832	0.8
91.05410	20.1
97.02784	0.8
102.28622	0.7
109.02861	1.1
110.07109	2.5
110.89212	0.6
116.25980	0.6
117.03285	1.4
119.04900	38.1
127.03883	0.7
129.10152	1.1
132.02016	0.8
136.07565	1.1
139.07388	0.6
145.02831	5.7
147.04402	34.2
148.04836	0.6
149.02348	0.7
157.03935	1.3
164.04614	1.5
175.03877	66.8
176.04280	1.1
177.05432	11.8
179.06985	3.4
192.04173	1.2
207.06506	100.0
208.06834	2.5
208.17133	0.7
239.28462	0.6
275.25668	0.7
351.10706	2.6
369.11734	8.1
531.06128	0.7
699.67047	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30549	0.4
53.00229	0.9
55.01789	0.6
55.05450	5.6
57.03363	1.0
57.07011	40.9
60.05556	1.2
62.05983	0.7
64.16405	0.6
65.03867	8.9
67.05417	5.3
69.03331	1.2
69.06980	2.3
71.04908	0.6
71.08532	2.8
73.79475	0.4
77.63812	0.5
79.05412	3.9
81.03325	0.7
81.06969	4.9
83.04893	15.5
83.08517	2.2
91.05402	10.5
93.06979	4.6
95.04881	1.3
95.08547	4.9
97.01003	0.6
97.10098	2.0
98.98402	0.9
99.02604	100.0
100.02964	1.1
105.06975	8.2
107.04910	0.6
107.08505	2.4
109.06463	0.8
109.10078	3.8
111.08061	0.5
115.05386	0.7
117.06960	3.6
119.08543	7.4
121.06426	1.0
121.10085	0.6
123.08007	0.7
123.11655	0.6
129.06943	2.5
131.08521	2.7
132.09293	3.5
133.10081	3.6
135.07985	1.0
141.06961	6.1
142.07719	5.0
145.10074	1.0
147.08052	0.8
147.11658	36.9
147.59848	0.6
148.12009	1.1
159.08000	3.5
160.53839	0.7
161.13194	2.5
166.99260	2.7
169.07545	1.2
173.04135	1.1
175.01511	12.3
175.05762	0.7
175.07594	0.7
178.99213	1.0
187.01596	0.7
197.00258	9.7
227.04616	2.3
239.04588	2.8
254.98251	0.7
255.02310	4.1
257.93021	0.5
273.03381	11.5
276.96823	0.8
287.16241	1.2
311.08334	1.2
313.27249	3.5
328.32291	0.5
329.09631	20.4
330.09949	0.8
352.95944	1.0
352.99985	18.7
354.00491	0.7
361.19736	0.9
379.21094	0.8
385.16049	1.0
397.21930	0.7
409.06265	15.9
429.03174	0.9
465.45416	0.5
485.09396	9.6
531.39874	0.8
541.08270	0.9
541.15656	18.0
542.15997	0.8
597.21863	33.1
598.21826	3.7
599.42828	2.9
617.43695	2.8
635.44330	2.1
653.28113	86.1
654.28516	8.6
669.46759	4.5
670.45685	2.4
671.48022	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71380	1.9
53.86724	1.7
55.05447	13.4
56.74484	2.0
57.00198	2.0
57.07019	16.9
59.06039	2.0
60.27474	1.9
67.05433	15.7
69.03365	7.4
69.06984	9.1
70.56995	2.2
71.08549	10.6
79.05384	2.8
81.06989	17.4
83.04904	3.6
83.08549	3.8
85.10100	3.1
89.57092	2.2
91.05397	11.7
95.08525	16.5
97.10091	3.6
107.08549	16.3
109.10093	3.0
111.04379	4.6
119.08532	100.0
135.08032	11.0
235.33459	2.3
239.23674	10.0
252.85616	2.8
265.43762	2.6
352.52792	2.9
385.29404	13.4
472.30823	2.3
501.36108	3.2
519.36102	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	670.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	0.2
53.03878	0.3
54.81546	0.2
55.01804	0.9
55.05454	5.3
56.09723	0.2
57.03384	1.8
57.06771	0.2
57.07016	3.8
57.71920	0.2
59.49467	0.2
59.54249	0.2
62.67655	0.2
62.89585	0.2
64.33043	0.2
65.03861	0.4
67.05073	0.3
67.05429	8.6
67.35966	0.2
69.03342	1.7
69.06987	5.1
71.04908	0.5
71.08546	3.3
72.18235	0.2
73.02821	0.2
76.10300	0.2
79.05416	3.7
81.03349	0.4
81.06511	0.3
81.06982	9.4
83.04902	2.2
83.08539	4.0
85.02836	0.4
85.06486	0.3
85.10112	2.4
90.34665	0.2
91.05408	8.8
92.63526	0.3
93.06970	4.1
93.94309	0.2
95.04888	0.5
95.07963	0.4
95.08539	8.3
97.06494	0.4
97.10088	1.9
99.08024	1.4
103.05380	0.5
104.06207	1.2
105.06988	2.3
107.08538	4.8
109.06473	0.3
109.10094	3.0
111.04407	1.7
111.08045	0.4
113.09576	1.1
115.05412	0.3
117.06974	2.8
119.08541	100.0
120.08859	2.1
121.10091	2.2
123.11660	0.9
129.05457	1.5
131.08527	0.9
133.06482	2.0
133.10078	0.9
135.08023	1.9
135.11636	1.8
137.13261	0.2
145.10080	0.3
147.11697	1.2
149.13242	1.2
159.11673	0.3
161.13187	0.3
163.14745	0.8
243.21252	0.4
261.22070	1.1
279.23199	2.8
339.28851	7.0
353.26743	3.4
371.27924	0.3
385.29257	1.1
415.06744	0.2
495.51895	0.3
502.40045	0.2
517.42303	0.4
599.73468	0.2
617.51453	7.1
635.52509	1.9
653.43768	2.3
671.46118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82264	4.6
55.05199	3.4
55.05444	36.3
55.90046	3.6
57.03362	9.1
57.07003	27.4
57.58347	4.2
60.47964	4.5
67.05428	100.0
69.06994	47.5
71.08547	35.7
79.05399	22.9
81.06960	97.5
83.08569	31.5
85.10105	8.1
88.26353	3.8
91.05382	15.9
91.36297	4.3
92.65251	3.9
93.06979	34.5
95.08535	78.7
97.10104	10.8
105.06980	5.9
107.08504	8.3
109.10093	28.7
111.08091	4.1
119.08524	9.9
133.10098	7.7
135.11671	7.0
141.12651	7.7
145.48854	4.9
149.78099	4.5
337.27356	51.3
355.28351	27.4
486.08649	4.3
594.83075	4.8
617.51373	62.6
618.51685	6.8
635.52087	27.0
682.16248	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	670.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	0.3
53.03880	0.3
55.01812	0.7
55.05455	5.1
56.52474	0.1
57.03374	1.8
57.07016	3.6
62.69764	0.2
65.03853	0.4
65.10983	0.1
66.79258	0.1
67.05428	9.7
67.31477	0.1
69.03342	1.7
69.06989	5.1
69.12418	0.1
71.04908	0.9
71.08549	3.9
73.02834	0.3
75.51569	0.1
78.25102	0.1
79.05407	4.9
81.03333	0.4
81.06976	10.4
81.52929	0.2
83.04897	2.5
83.08539	3.9
83.84020	0.2
85.02826	0.8
85.06483	0.2
85.10114	2.3
89.02331	0.1
91.05408	9.9
92.05721	0.2
93.06966	4.8
93.07513	0.2
95.04900	1.0
95.08532	8.2
97.06451	0.6
97.10092	1.9
99.08023	1.5
103.05386	0.7
104.06177	0.9
105.06985	2.0
107.08543	5.5
109.06467	0.3
109.10108	3.3
111.04409	2.0
111.08045	0.2
111.11654	0.3
113.09575	1.6
115.05408	0.3
117.06993	2.9
119.08539	100.0
120.08865	3.4
121.10100	2.5
123.07982	0.1
123.11672	0.8
128.52092	0.1
129.05444	1.6
131.08578	0.7
133.06480	2.0
133.10080	1.3
135.08044	1.3
135.11646	1.5
137.09518	0.1
137.13177	0.3
141.73227	0.2
145.10143	0.7
147.11646	1.3
149.13246	1.1
159.11708	0.2
161.13200	0.3
163.14818	0.3
165.12794	0.3
172.88341	0.2
173.13219	0.2
189.07112	0.2
213.48970	0.2
261.22083	0.8
265.25119	0.2
279.23169	2.8
286.04236	0.2
308.22528	0.2
332.95999	0.2
335.25638	0.2
339.28909	6.6
340.29276	0.3
353.26797	4.3
354.27417	0.2
371.27713	0.2
379.62949	0.2
385.29559	0.7
517.42194	0.2
519.37018	0.3
599.49719	0.2
617.51318	6.1
618.51398	0.3
635.52307	2.3
653.44092	2.0
654.44171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	46.6
57.03374	8.2
57.07002	17.1
67.05420	86.4
68.17207	9.6
69.06977	42.7
71.08533	18.2
73.57706	8.3
74.93383	8.1
79.05395	15.0
81.06982	100.0
83.08547	21.7
85.10059	9.5
91.05408	16.0
93.06961	22.4
95.08556	67.4
107.08447	10.4
109.10108	17.4
115.29770	8.9
119.08549	81.9
119.53589	9.7
120.08892	11.8
121.10113	16.5
138.14436	9.2
193.01157	9.9
278.50537	10.1
318.25259	12.6
335.49384	11.6
339.28696	18.6
340.29239	16.3
470.18188	10.8
523.90686	10.9
617.51215	18.7
618.50916	17.6
636.52472	13.4
671.46576	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08590	0.4
52.19429	0.4
55.05448	2.1
57.03383	0.6
57.07020	0.5
57.81964	0.4
60.84840	0.5
67.05432	3.8
69.06987	1.8
71.13062	0.4
79.05396	2.1
81.06987	5.2
83.08533	0.5
91.05392	0.6
91.17752	0.4
93.06984	0.8
95.08537	2.3
107.08606	0.5
109.10104	1.0
123.11602	0.5
128.42792	0.6
141.15721	0.7
335.21881	11.2
337.27213	1.0
391.24643	2.3
401.14435	0.6
417.46573	0.5
671.48450	100.0
672.48633	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	671.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07226	1.0
55.05452	1.2
56.80584	0.9
57.07010	1.9
67.05426	7.6
69.06982	1.2
70.90073	0.8
81.06979	6.2
83.08533	1.7
91.05428	1.4
92.10261	3.1
93.06976	2.1
95.04916	1.3
95.08534	5.9
105.06970	1.1
178.99579	0.9
206.78151	1.0
243.94925	1.0
284.29385	2.1
436.31348	0.9
466.36151	1.0
566.40826	1.1
646.99316	1.1
671.48462	100.0
672.48889	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	671.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53842	0.4
55.05444	2.4
57.03368	0.6
57.07010	0.9
61.44606	0.5
67.05428	4.8
69.06983	2.1
76.56091	0.5
79.05407	2.5
81.06983	5.8
83.08548	0.9
91.05412	2.2
93.06981	2.4
95.08518	4.4
97.06458	0.6
105.06989	2.1
107.08539	0.7
109.10101	1.2
119.08557	0.7
121.10085	0.9
126.86317	0.6
129.05559	0.5
133.08575	0.5
195.15833	0.6
233.09506	0.5
335.25830	0.9
337.23376	7.2
362.32196	0.5
393.26331	1.1
615.28534	0.7
671.48431	100.0
672.48840	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	671.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09817	1.0
53.03887	1.4
53.35723	1.1
55.01835	1.5
55.05453	7.1
57.03370	2.0
57.07013	15.6
58.07356	1.5
59.82406	1.1
60.05586	1.9
62.06020	1.4
64.33624	1.5
65.03856	2.1
67.05431	10.6
69.06997	5.6
71.08535	1.8
79.05408	7.2
81.06954	11.0
83.04913	3.0
83.08526	2.6
85.10107	3.0
86.09612	2.6
89.05968	1.4
91.05402	7.0
93.06984	5.6
95.04887	2.2
95.08538	11.3
97.06470	2.0
97.10078	1.7
99.02598	17.5
100.02979	1.9
105.06986	2.7
105.32614	1.4
107.08545	2.4
109.10124	6.0
114.90041	1.5
119.08504	2.9
121.10123	2.3
125.09605	1.8
131.08568	1.6
133.06538	1.4
135.08015	2.1
147.11690	6.4
175.01582	1.6
184.07265	2.5
313.27414	6.3
329.09589	2.6
354.00256	1.5
375.25104	1.6
598.22546	6.5
654.28564	17.5
671.48547	100.0
672.48706	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	672.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00228	1.5
53.64805	1.3
55.05442	6.6
55.92787	1.2
57.03366	9.0
61.02841	2.7
67.05433	1.4
69.03341	22.8
70.06506	24.4
71.04908	34.7
73.02812	2.8
75.04388	2.1
79.05369	1.6
81.03323	3.3
83.04900	40.0
84.04424	10.6
84.08069	3.7
85.02826	76.3
86.09625	3.3
87.04382	2.0
91.05402	1.5
92.64157	1.3
95.04868	2.9
97.02811	11.4
97.06428	1.5
103.05292	2.6
108.38677	1.7
109.02835	3.3
110.03608	6.2
110.07115	10.3
111.04394	16.8
113.03364	1.5
117.37421	1.4
118.08569	2.5
120.08038	2.7
121.02882	1.9
121.10113	2.6
125.05955	27.3
127.03868	7.4
129.05450	22.0
129.10173	2.0
136.07539	2.5
137.06018	1.5
139.03844	3.6
145.04951	3.5
147.06500	1.8
151.03813	1.6
153.05437	67.9
154.06219	19.9
167.07082	3.5
170.05696	15.8
178.06113	1.7
182.05655	3.8
185.08055	100.0
194.05580	2.4
197.08035	7.1
206.61641	1.5
209.08093	8.0
220.07304	2.3
227.09077	1.9
231.46309	1.7
251.09172	6.5
261.87970	1.6
270.00610	1.6
277.10690	10.3
295.11734	6.8
311.11273	2.3
313.12775	3.7
317.96405	1.7
331.13867	2.8
342.54282	2.0
343.49216	1.5
389.49957	1.4
410.52292	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	672.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44908	1.0
55.01801	1.2
55.05445	21.2
55.11657	1.0
55.98898	1.0
57.07011	27.7
58.14151	1.0
61.79185	1.0
67.05437	2.3
71.04903	3.1
79.05389	1.5
81.06960	2.0
83.04902	100.0
86.09626	6.4
91.05412	7.3
95.04887	2.3
95.08562	1.1
98.98392	7.3
100.10262	1.2
100.45400	1.1
105.06987	1.3
105.99986	1.3
119.06148	1.1
119.08504	1.3
124.99989	2.6
128.06195	6.3
129.06947	14.2
141.07002	2.2
145.06419	1.6
147.08055	10.0
147.11693	14.0
151.01590	1.6
159.08058	1.2
160.95985	1.4
175.00084	2.5
175.01529	51.6
181.02577	67.4
184.07307	11.9
185.13280	1.6
187.01535	2.0
197.08937	1.2
199.03639	4.9
227.04646	30.1
231.07761	1.8
238.17912	16.9
239.04568	1.6
257.05710	8.4
283.10791	9.7
313.11948	54.2
331.12924	2.3
369.18234	13.0
434.60156	1.5
487.12634	5.0
543.19165	18.2
599.16449	2.0
599.25281	45.6
600.25647	4.7
655.31427	68.9
656.31531	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	672.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	11.8
55.14216	2.3
57.07009	14.9
67.05426	52.2
69.06995	5.2
71.07288	18.3
71.08553	4.5
78.06280	2.5
81.06968	16.8
83.08527	4.4
85.10100	4.7
86.09134	5.4
86.09623	80.5
87.89342	2.6
91.05402	2.9
92.10239	4.6
92.63769	2.8
93.06959	6.6
95.08533	17.2
95.24610	2.8
98.05982	3.7
105.06946	4.7
109.10109	26.7
119.08501	2.6
122.23483	2.7
131.08493	3.3
146.98172	39.2
206.27344	3.4
238.17931	2.6
306.27875	11.4
324.63184	3.0
356.29276	3.1
489.35370	59.8
490.35284	4.2
613.24976	3.8
613.34705	100.0
614.34637	11.1
672.41864	62.2
697.22638	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	673.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81670	0.5
55.05455	1.9
55.66885	0.4
57.03386	0.6
62.11282	0.4
63.18830	0.4
67.05433	3.1
69.06985	1.9
73.89702	0.4
79.48776	0.5
81.06979	2.7
83.08553	0.7
86.13683	0.4
92.10998	0.6
93.06956	0.5
95.08537	2.0
102.99489	0.5
105.06952	0.5
107.08513	0.6
109.10130	0.5
116.29500	0.4
170.29086	0.5
175.75246	0.5
211.53352	0.5
273.19925	0.5
289.43890	0.5
301.62665	0.5
331.12704	0.6
337.23453	9.9
337.27252	0.6
393.25842	0.8
491.54990	0.5
534.59534	0.5
673.50000	100.0
674.50433	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	673.501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	1.9
57.03383	0.5
67.05446	3.5
69.06980	2.1
79.05422	0.7
81.06968	4.1
83.08559	1.0
88.61905	0.4
90.26712	0.4
91.05415	0.6
92.10842	0.7
93.06963	0.7
95.08542	2.7
105.06979	0.5
109.10119	1.0
142.70291	0.4
151.66736	0.5
185.24428	0.5
337.23468	10.0
337.27258	1.3
393.26035	5.4
673.50006	100.0
674.50220	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	674.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02316	0.5
51.11597	0.4
53.03887	3.4
57.03380	0.5
61.02861	0.6
67.44435	0.5
69.03343	7.4
69.78339	0.4
70.06512	3.7
71.04913	0.5
72.08069	0.6
78.03368	7.1
80.04939	2.4
80.82606	0.4
81.03339	11.3
81.03798	0.9
81.80648	0.5
83.04926	0.5
84.04389	0.5
84.08073	0.6
85.02831	9.4
96.04422	5.2
97.02829	3.8
99.04379	2.5
102.05457	0.7
103.05391	0.8
105.06917	0.9
106.02859	35.1
107.04933	0.6
109.02822	6.4
110.07143	2.5
110.30421	0.5
121.06468	0.8
123.12251	0.5
124.03912	100.0
125.04250	0.9
127.03866	3.4
130.06535	0.6
131.04861	0.7
133.06416	0.6
134.05927	0.5
136.06160	8.0
137.05849	0.7
145.02873	0.8
149.05956	0.9
152.07028	1.2
167.06982	10.0
173.83783	0.5
177.05440	3.8
224.37285	0.5
227.09105	1.2
250.07104	7.6
268.08102	34.9
268.11020	1.2
269.08380	1.0
298.09613	0.9
310.54291	0.6
494.16476	8.3
675.20416	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	674.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60719	0.3
53.03895	1.4
55.01810	2.0
55.05462	0.4
57.03374	4.2
60.72419	0.2
61.02856	6.4
61.87846	0.3
65.03871	5.4
67.05444	0.6
68.99712	1.7
69.03003	0.6
69.03354	13.6
71.04904	0.8
73.02843	2.2
73.27032	0.3
81.03342	5.3
83.04903	3.4
85.02830	62.7
86.74810	0.3
87.04386	0.7
91.03880	2.8
93.03340	2.2
95.04910	0.4
96.31933	0.3
97.02827	17.9
99.04397	2.6
100.97209	0.3
103.03883	1.5
107.04906	0.7
109.02832	5.7
111.04394	38.4
114.37257	0.3
115.03930	0.5
121.02811	0.3
121.03945	2.6
127.03878	12.1
136.06171	2.0
139.03882	100.0
140.04231	1.5
145.04938	13.1
147.04401	0.4
163.03911	0.8
163.06009	5.1
171.06493	84.1
172.06812	0.6
177.05467	0.7
183.06496	0.5
195.06548	1.3
205.04944	0.4
207.06531	1.8
213.07532	0.5
222.05272	0.8
237.07469	2.8
261.07532	0.5
279.08582	0.5
283.42795	0.4
297.09586	4.9
325.11206	3.5
333.11658	2.2
334.11304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06886	0.3
58.06539	0.4
60.08096	9.4
61.81942	0.2
67.04072	0.2
67.05099	0.3
67.05421	1.6
69.06968	0.5
71.07281	4.7
81.06956	1.1
85.19835	0.3
86.09626	49.6
87.09946	0.5
91.05390	0.3
98.98399	5.1
104.10682	3.2
107.08582	0.5
109.10104	1.1
124.99960	36.3
143.01012	0.7
184.07303	100.0
185.07578	0.6
383.23489	0.3
415.43481	0.3
567.64349	0.4
620.24072	0.3
674.43878	8.6
675.43457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09010	0.3
53.00261	0.4
55.01799	0.3
55.05450	2.5
57.07011	4.3
67.05411	0.4
67.28258	0.3
71.04547	0.5
71.04908	9.6
81.06921	0.4
83.04899	21.8
83.05411	0.7
89.97481	0.3
91.05390	0.5
93.07001	0.4
101.05947	5.8
105.06938	0.4
107.04896	64.9
108.05250	0.5
113.05957	0.6
115.61658	0.3
119.08482	0.4
120.50122	0.3
121.06470	2.7
139.73506	0.4
146.92828	0.3
147.08023	9.2
149.05959	21.8
150.06360	0.5
159.08022	4.7
161.08054	6.3
163.11143	100.0
164.11485	2.1
169.13416	0.4
169.51262	0.4
177.12709	0.5
203.14281	6.2
205.12207	3.6
219.17397	30.1
220.17770	0.7
267.12210	50.0
268.12488	1.4
309.13348	0.8
323.18463	43.2
324.18768	2.3
365.19302	0.5
379.24658	1.8
415.17496	11.8
426.50546	0.4
433.18484	11.7
471.17334	0.6
471.23697	13.1
472.23907	0.5
489.24756	15.3
490.24719	0.6
527.29968	14.2
528.30139	1.5
545.31152	5.6
583.36023	0.5
639.42426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00230	2.8
54.62817	2.0
54.63162	2.5
55.01807	12.2
55.05450	38.6
57.03374	40.3
57.06735	3.2
57.07013	75.5
65.03844	4.1
67.05076	4.6
67.05428	100.0
69.06994	48.6
71.04904	13.1
71.08550	54.1
79.05409	58.7
81.03345	42.3
81.06973	97.9
83.04902	3.5
83.08541	42.7
85.02782	2.3
85.06476	4.6
85.10105	30.5
86.09644	3.8
89.05957	3.1
91.05408	48.4
93.06979	51.8
95.04905	44.3
95.08530	56.0
96.08915	2.8
97.06470	79.2
97.10100	22.4
99.08022	26.6
105.06972	22.0
107.04898	16.7
107.07455	2.8
107.08539	31.4
109.06482	21.0
109.10113	57.5
111.08049	5.6
114.37125	2.8
117.06962	15.1
119.08524	22.3
121.06459	13.3
121.10093	17.0
123.08030	14.9
123.11662	10.2
125.09605	12.9
127.07523	5.2
129.06949	6.2
131.08543	19.5
133.06494	4.0
133.10091	13.9
135.08003	10.2
135.11638	9.2
137.09604	10.2
141.64459	2.5
143.08545	4.9
145.10109	15.1
147.08047	5.6
147.11678	12.4
149.09590	5.0
149.13196	4.0
150.58652	2.5
153.12750	3.2
157.10020	3.5
159.11655	4.9
161.09645	5.6
163.11186	5.1
165.08994	3.6
171.11633	2.4
173.11665	4.8
173.13153	2.6
175.11073	5.8
184.07477	3.0
193.12248	10.1
217.15802	2.8
227.12743	5.2
229.14259	6.2
239.23618	3.6
257.24588	3.0
267.15808	14.0
269.17447	5.1
273.18445	24.3
291.19492	31.5
313.27289	91.7
314.27597	3.5
347.21875	4.3
365.23175	13.0
467.37241	31.7
505.38724	53.1
506.38608	3.6
507.40430	47.0
508.40259	4.8
545.41833	18.8
585.44672	11.8
603.46320	44.6
604.46436	3.2
621.38031	2.8
621.47321	51.9
622.46991	4.6
675.43073	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	675.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31991	4.7
57.75461	4.5
61.81878	4.9
77.01077	4.6
84.28822	4.7
89.05911	6.2
92.10298	6.9
97.65318	5.5
97.76487	4.7
98.24256	4.5
124.79297	5.4
128.56725	5.7
128.62288	4.7
143.32082	5.0
192.45132	5.1
192.61601	4.9
210.27086	5.4
298.23938	5.1
448.81390	6.9
651.24573	5.5
675.26233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05021	1.2
53.00244	1.6
55.01800	3.7
55.05460	14.8
55.63518	1.1
57.03373	11.6
57.06776	1.6
57.07012	27.5
57.83564	1.3
58.44516	1.3
63.07084	1.2
67.05139	1.8
67.05431	32.0
69.03355	1.7
69.06998	15.2
71.08550	16.4
73.25387	1.5
79.05410	26.3
81.03355	14.3
81.06974	44.4
83.04871	7.1
83.08527	11.2
85.10093	7.9
86.09605	1.8
91.05405	17.1
92.05714	1.9
93.06974	20.4
95.04902	10.9
95.08541	24.0
97.06445	10.2
97.10123	2.7
99.08028	2.5
105.06978	11.8
107.04915	3.6
107.08544	10.7
109.06494	13.1
109.10100	14.1
111.08018	2.5
112.82738	1.5
117.06934	6.6
119.08508	11.0
121.06427	2.7
121.10097	8.0
123.08033	6.0
123.11649	2.0
125.09601	2.8
129.06953	1.9
131.08522	10.0
133.10135	1.9
135.08049	1.9
135.11644	1.9
137.09607	2.3
143.08630	2.1
145.10097	6.1
147.08034	2.8
147.11588	2.5
149.09560	2.0
163.11095	2.6
173.09508	2.0
175.11108	2.0
184.07318	1.9
241.98579	1.6
250.56717	1.7
273.18329	6.7
274.18781	2.0
291.19333	3.5
307.18900	2.0
313.27359	25.4
314.27478	2.9
363.17612	3.6
407.13928	7.3
467.37189	1.7
468.37125	1.5
505.38516	7.8
506.38956	6.3
507.39850	3.0
545.41516	2.9
603.45715	9.0
604.45941	9.9
621.46783	7.7
622.47253	2.2
657.45636	1.6
674.49127	3.3
675.26581	33.8
675.43982	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77495	1.7
52.56615	1.7
54.77463	2.1
57.90776	2.0
63.10693	1.8
67.13187	1.7
70.43363	2.1
72.69323	2.0
76.70866	2.2
90.70129	2.1
92.10870	6.4
116.65739	2.1
170.77963	2.1
184.07268	8.2
319.00146	2.2
520.49750	2.7
675.51666	100.0
676.52148	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	675.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96514	0.5
55.24725	0.5
60.48445	0.5
81.16595	0.5
125.62064	0.5
157.08510	0.5
162.47403	0.6
224.51910	0.6
237.23805	0.6
303.81976	0.5
337.23462	3.2
571.99768	0.6
621.39880	0.7
675.42029	9.4
675.51685	100.0
676.43005	1.4
676.52362	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	676.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42263	0.5
53.92610	0.5
55.05433	0.9
57.06998	0.8
60.08095	10.2
67.05424	2.9
71.07288	4.6
72.93259	0.5
79.05410	1.2
80.81220	0.5
81.06973	3.4
86.09627	48.9
91.05411	1.2
93.06963	1.1
95.08538	0.9
98.98386	4.8
104.10686	3.4
105.06966	0.7
108.01868	0.7
119.08537	0.8
121.10094	0.7
124.99959	35.1
139.18266	0.6
143.01022	0.8
174.79660	0.5
184.07301	100.0
185.07683	0.7
244.75920	0.6
337.16699	0.7
443.91595	0.6
499.93884	0.7
623.42468	0.7
676.45325	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	677.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29035	0.4
62.73804	0.4
62.87603	0.4
67.83368	0.5
75.04920	0.5
75.53084	0.5
79.89130	0.5
80.22613	0.5
92.10892	0.6
97.51159	0.5
147.81816	0.6
171.89587	0.6
185.04233	0.8
255.18016	0.6
315.02927	0.6
352.50806	0.6
515.31799	32.7
516.31885	0.9
566.21753	0.7
677.37091	100.0
678.37646	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	677.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60813	1.4
53.03868	2.5
54.16065	1.7
54.85851	1.5
55.05454	18.3
57.03368	8.3
57.07006	3.4
61.02852	34.7
65.53087	1.8
67.05424	100.0
67.05782	3.7
69.03346	3.8
69.06989	18.8
71.04906	4.4
73.02827	13.9
75.63638	1.6
79.05406	60.9
81.06503	4.1
81.06973	94.5
81.07448	3.9
83.04932	2.0
83.08525	7.6
85.02827	30.2
85.06457	3.7
91.03883	28.1
91.05397	30.6
93.06969	87.5
95.04890	9.5
95.08531	70.6
97.02843	19.8
104.10691	2.9
105.06982	21.9
107.07859	3.1
107.08537	46.5
109.10108	35.9
117.06985	10.1
118.70694	1.9
119.08527	22.1
121.10094	37.2
123.11662	9.5
125.09684	2.1
127.03859	6.4
131.08525	26.3
133.10080	17.5
135.11644	36.3
137.13274	2.9
145.04951	7.9
145.10074	16.9
147.11664	14.1
149.13245	15.1
159.11667	17.0
161.13239	10.4
163.06035	3.7
163.14769	9.4
173.13203	11.5
175.14774	2.6
184.07280	2.7
187.14780	8.4
243.20990	18.5
261.22037	61.5
314.97171	1.7
335.25638	10.3
353.26801	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	677.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	1.8
55.05207	1.9
55.05448	24.8
57.03355	8.7
57.06995	3.5
61.02857	26.5
67.05425	99.3
69.03350	3.0
69.06697	1.3
69.06985	20.5
71.04905	2.9
73.02811	6.0
79.05407	58.1
81.03309	1.5
81.06975	100.0
82.06760	1.4
83.04916	1.4
83.08560	12.4
85.02822	20.9
85.77072	1.5
86.09642	2.3
87.04375	1.3
91.03883	19.1
91.05398	35.1
93.06969	82.9
94.07284	1.7
95.04881	3.4
95.08530	86.0
97.02812	10.6
97.06473	2.7
97.10075	2.9
105.06985	22.6
107.07860	2.4
107.08537	44.8
109.06474	2.1
109.10104	37.2
117.06942	12.0
119.08533	22.1
121.10098	39.2
123.11655	17.0
127.03852	3.1
129.06944	1.5
131.08516	21.1
133.10094	16.0
135.11641	24.6
137.13229	3.2
145.04933	7.0
145.10129	16.8
147.11624	14.2
149.13249	18.3
159.11665	14.3
161.13196	9.9
163.05949	6.1
163.14774	9.3
173.13283	11.2
175.14761	2.7
177.16360	2.2
184.07281	3.7
187.14751	7.3
205.15945	2.0
227.34062	1.5
233.22723	2.0
243.21030	22.6
261.22083	53.3
279.22989	2.3
331.58560	1.6
335.25735	26.4
345.45648	1.6
353.26764	24.7
433.91385	1.6
497.30704	6.8
677.41650	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	677.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	1.2
55.05442	1.9
57.03353	1.5
57.07003	3.0
66.89102	1.1
67.05428	4.8
69.07000	2.0
71.08538	2.9
79.05424	2.1
81.06979	6.2
83.08563	1.4
91.05397	2.1
93.06981	2.4
95.08524	5.3
95.99190	1.3
99.67439	1.4
102.87265	1.1
105.07027	1.7
116.67083	1.2
118.17776	1.3
133.10060	1.4
204.60242	1.4
334.64819	1.3
365.19290	8.1
407.26117	1.3
421.22147	2.2
677.45789	100.0
678.46490	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	677.496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05211	2.8
55.05450	32.3
56.04959	7.3
67.05409	2.0
68.94405	1.7
69.06988	3.0
70.06514	44.5
71.81322	2.0
72.08066	4.5
74.05962	2.2
76.27679	1.7
81.03325	2.0
81.06986	7.0
82.06480	7.6
83.04883	7.7
83.08543	20.9
84.04424	11.7
84.08060	11.9
85.02837	3.1
85.06469	2.4
85.27892	1.6
86.09640	4.0
91.05413	3.0
98.09625	59.3
100.07565	17.3
100.11191	80.2
101.07098	3.2
106.02894	3.2
110.05985	2.6
110.07100	10.9
111.04392	25.4
112.07572	9.6
115.08630	1.8
120.08054	2.5
124.03938	8.3
126.09061	7.0
128.07018	21.3
129.10190	10.1
136.07570	4.1
139.08630	3.2
140.07028	8.9
145.02800	1.9
149.66051	1.9
166.15843	2.2
168.71939	1.8
177.05432	3.2
180.13809	7.9
182.15370	75.9
208.13365	6.4
209.16461	31.2
210.14871	100.0
211.15265	2.3
226.19124	3.1
227.17500	4.5
228.15886	7.1
336.22668	3.4
337.16306	1.8
354.23810	2.1
562.39923	2.0
580.40582	53.7
581.40985	2.4
659.48419	3.2
677.17004	4.0
677.49512	56.2
678.50037	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	679.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21719	0.3
65.84366	0.4
69.76515	0.4
75.76125	0.4
80.54311	0.5
85.02827	1.0
89.89003	0.4
91.75175	0.4
95.00988	0.8
96.01764	0.6
97.02821	0.5
98.97468	0.5
102.35727	0.4
113.02092	0.6
136.07518	0.4
136.64732	0.4
139.03831	0.9
139.85413	0.5
141.05200	0.5
157.04752	0.5
171.06493	0.7
185.04245	1.9
201.03683	4.7
203.05354	1.9
237.02795	1.8
242.05441	0.6
245.06184	0.6
259.07813	1.0
305.08524	1.7
319.10019	2.3
329.08524	2.4
347.09357	10.0
348.09100	0.8
363.08887	4.3
365.10477	10.5
407.11615	1.8
421.12946	3.1
447.14713	0.8
493.15372	4.6
509.14468	5.3
517.15411	3.1
679.20441	100.0
680.20978	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	679.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	17.5
57.03365	4.7
57.06996	11.7
57.41300	2.0
61.02858	22.1
65.72817	1.8
67.05428	76.6
69.06989	31.8
71.08525	3.4
73.02823	10.0
79.05418	19.5
80.49151	2.0
81.06970	100.0
83.04887	3.8
83.08524	18.9
85.02824	16.2
86.09632	3.4
91.03868	14.8
91.05416	20.6
93.06962	30.2
93.65443	2.0
95.07956	3.8
95.08528	74.1
97.02821	9.5
97.06469	4.6
97.10099	8.1
99.08006	2.6
105.06957	14.7
107.08523	21.7
109.10093	32.4
111.25097	1.9
113.39291	2.5
119.08543	14.4
121.10101	15.5
123.11662	13.2
124.99946	2.5
127.03934	2.8
133.10088	12.3
135.11684	8.8
137.13231	3.5
140.39899	2.5
145.04976	3.7
147.11703	10.2
149.13231	2.6
151.14748	2.8
155.14253	2.1
161.13237	13.4
163.06047	2.6
163.14766	5.0
165.16383	3.6
175.14766	4.5
179.17935	2.2
184.07310	14.4
188.75259	2.0
245.22536	35.3
260.56662	2.2
263.23615	39.7
321.37274	2.5
337.27240	31.0
355.28372	2.4
546.84070	2.4
639.20093	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	679.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92358	1.5
53.00226	1.5
55.05441	24.8
56.98271	1.3
57.03362	9.6
57.07013	14.5
61.02848	31.4
62.64639	1.8
65.03907	1.5
67.05422	100.0
69.03339	3.1
69.06993	28.7
70.26916	1.6
70.47970	1.7
71.08521	6.3
73.02827	15.4
79.05395	26.9
81.06970	99.1
83.08544	21.6
85.02832	35.9
85.06471	2.1
91.03876	28.3
91.05402	24.9
93.06959	29.4
95.04890	2.2
95.08530	95.7
97.02812	12.8
97.06459	9.8
97.10095	9.8
99.08009	2.5
105.06974	11.3
107.08572	13.9
109.10107	49.5
111.08028	2.6
111.11648	1.8
119.08546	15.5
121.10080	22.6
123.11635	17.4
127.03866	8.1
133.10066	15.7
135.11671	10.9
137.13248	7.7
145.04941	9.0
147.11668	16.7
149.13237	9.3
161.13176	15.4
163.05974	10.4
163.14764	10.2
165.16405	3.6
175.14761	9.3
177.39825	1.7
179.17897	3.7
184.07240	3.6
189.16321	2.1
193.15677	1.8
202.45273	1.9
245.22577	42.8
263.23651	55.0
337.27350	29.4
355.28488	2.4
403.61472	1.9
470.29861	1.8
684.36859	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	679.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05468	3.1
57.46959	1.5
65.11192	1.8
67.05421	4.5
68.76419	1.9
69.20763	1.7
81.06955	8.8
93.06973	3.2
95.08542	4.6
105.06952	2.0
107.08537	2.9
123.26423	2.4
181.12012	2.1
219.17325	3.9
233.15305	2.2
345.20273	2.2
679.41516	100.0
680.41907	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	679.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81490	0.4
55.05455	2.0
57.03378	0.7
57.07016	2.1
67.05421	2.9
69.06987	2.1
70.77837	0.4
71.08534	2.0
71.67311	0.4
72.38332	0.4
73.53452	0.4
79.05409	2.4
81.06974	3.8
83.08537	0.8
88.48656	0.4
91.05405	0.9
93.06976	2.6
93.82854	0.4
95.08555	1.8
97.10121	0.6
105.06986	0.8
107.08548	0.9
109.10116	0.5
119.08559	0.5
133.10149	0.6
226.17241	0.5
313.27484	0.8
367.20908	6.6
423.23563	2.5
471.96881	0.5
513.00464	0.5
573.79626	0.6
678.46796	1.0
679.47443	100.0
680.47675	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	679.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	0.3
54.62016	0.1
55.05448	21.1
55.25882	0.1
57.07012	1.1
58.06525	0.5
60.93740	0.1
65.63705	0.1
67.05417	0.9
69.06982	1.2
70.06506	2.1
79.05396	0.1
79.46122	0.1
80.80220	0.1
81.06982	1.2
82.06499	4.8
83.04893	2.6
83.08536	17.8
84.08074	1.6
85.06454	1.2
91.05402	0.2
94.06462	0.2
95.08523	0.2
96.08053	0.6
97.06442	0.2
98.09624	2.9
100.07546	8.7
100.11184	100.0
101.06012	0.1
101.07769	0.1
101.11532	1.1
107.08513	0.2
110.05986	3.7
111.04384	12.2
112.07546	3.2
112.11185	0.9
116.22033	0.1
117.13828	1.7
119.08550	0.2
126.08264	0.2
126.09114	3.0
127.08643	2.4
128.07034	9.0
129.05423	0.7
139.08640	5.3
140.07036	3.9
142.08673	0.1
147.11667	0.9
149.13229	0.2
153.12807	0.1
157.09918	0.1
158.08421	0.1
163.11243	0.2
164.14322	1.0
166.15858	1.6
168.13815	0.5
173.41939	0.1
174.12752	0.2
182.15364	40.1
183.15715	0.8
183.54070	0.1
192.13733	1.7
199.21606	0.2
209.16449	32.8
210.14851	40.9
211.15205	0.9
226.19092	6.6
227.17503	3.9
227.19691	0.2
228.15904	3.2
236.72469	0.1
245.18591	0.6
308.26834	0.9
309.25217	1.7
325.29568	0.1
326.27945	5.9
335.24310	0.8
336.22733	3.8
337.20920	0.9
343.30667	2.5
417.32196	0.2
434.34964	0.5
435.33200	2.0
436.31793	0.7
452.35812	2.7
453.34390	1.9
492.89331	0.1
534.43457	0.4
552.44855	1.1
562.39563	0.3
647.70380	0.1
661.49994	7.1
662.49963	0.8
679.50977	74.5
680.51251	6.3
680.61078	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	680.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.9
55.01812	2.4
55.05187	2.0
55.05451	60.4
57.03375	21.7
57.07012	42.8
57.80756	1.1
59.04920	1.3
60.08073	1.3
61.02846	8.0
65.32715	1.3
67.05432	31.7
68.09787	1.1
69.03337	7.5
69.06983	14.0
70.82845	1.0
70.85447	1.2
71.04905	1.2
71.08551	24.3
73.02832	1.2
76.56528	1.5
79.05412	21.0
81.06982	28.0
83.04882	1.9
83.08540	49.4
84.62473	1.2
85.02808	5.9
85.10099	12.2
86.09622	4.9
89.05951	1.4
91.03902	2.3
91.05385	4.8
92.10225	2.1
93.06966	9.5
95.04909	1.7
95.08523	21.0
96.77711	1.1
97.02806	1.7
97.10099	85.2
100.81915	1.1
105.06966	5.0
107.08533	21.3
109.10091	14.7
111.08016	2.5
117.06956	5.1
118.57748	1.2
119.08535	4.9
121.10080	1.8
123.11642	2.6
124.99940	2.3
125.09590	80.5
131.08545	2.7
135.07968	6.7
137.05998	5.0
137.13240	1.5
143.10666	2.1
145.10097	1.6
146.48058	1.5
153.09093	2.9
171.10141	1.8
184.07314	13.1
189.11195	53.1
227.12743	100.0
228.13019	2.4
245.13792	76.2
257.24606	1.6
257.33353	1.5
313.27301	73.6
318.49872	1.3
327.07697	2.0
439.20172	2.4
483.36682	56.5
484.36829	2.3
495.26193	1.6
607.38391	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	680.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38435	0.4
53.00246	0.7
54.47325	0.5
57.07011	58.6
84.90353	0.5
91.05392	5.6
101.56328	0.5
105.06933	0.8
131.99249	0.6
147.11668	6.8
153.06958	1.3
233.03459	2.9
251.04604	17.4
307.10764	0.8
327.07733	100.0
328.07971	4.7
383.13974	49.7
384.14206	2.2
386.60587	0.8
434.93674	0.7
439.20239	74.8
440.20380	4.8
495.26480	67.2
496.26791	6.2
551.32776	24.7
552.32690	2.4
607.38989	54.4
608.39258	5.9
663.45258	53.4
664.45703	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	680.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83052	11.1
52.53611	10.3
55.05449	17.0
57.03361	19.4
57.07016	25.2
59.06037	12.7
60.05576	28.1
61.41124	9.3
67.05415	52.1
69.06971	26.4
76.12507	10.4
76.56196	11.9
78.94135	10.1
79.05399	28.2
79.73705	10.1
80.23399	10.0
80.31877	11.4
81.06968	76.6
83.08526	12.2
91.05376	21.6
92.10323	17.0
93.06969	47.2
95.08548	60.1
105.07006	19.4
107.08521	21.8
109.10126	12.7
119.08523	20.0
121.10082	18.0
277.21597	26.8
291.43909	11.7
327.07755	47.8
337.27246	100.0
351.25357	23.0
369.25720	12.9
374.16385	12.4
439.20093	17.0
453.43427	13.9
495.26462	16.8
613.48157	17.6
631.48938	19.7
663.45398	18.5
690.84363	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	681.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81606	2.4
55.05452	69.1
57.03374	16.6
57.07011	37.3
61.02853	37.1
67.05422	67.3
69.03362	4.4
69.06611	3.7
69.06985	100.0
71.04880	1.8
71.08552	17.0
71.23914	2.3
73.02831	16.8
75.04379	2.4
79.05407	38.6
81.03361	2.5
81.06973	79.0
83.08539	75.4
85.02823	36.6
85.06433	2.7
85.10107	11.1
91.03879	27.8
93.06966	57.0
95.08529	96.6
97.02823	12.7
97.06454	14.3
97.10107	46.8
99.07978	3.0
107.08548	34.5
109.10101	44.0
111.08017	13.0
111.11664	15.0
113.09577	2.9
121.10097	65.6
123.11629	8.9
125.09610	3.7
125.13210	3.0
127.03865	4.4
135.11646	43.0
137.13261	2.6
139.11208	2.7
145.04933	4.9
149.13245	18.8
151.14809	4.1
153.12668	3.4
157.88486	2.1
159.31956	2.2
163.05969	7.9
163.14735	4.1
164.88913	2.5
165.16315	2.9
173.73509	2.8
177.16312	2.4
191.17842	2.2
191.64066	2.4
240.95744	2.1
247.24115	36.3
265.25186	66.7
266.25476	2.2
283.26349	15.5
319.20810	2.4
327.08075	2.7
339.28867	88.1
357.29959	34.7
358.93878	2.2
407.78583	2.6
466.07266	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	681.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00232	2.4
53.03880	1.6
55.05447	67.5
57.03375	16.7
57.06776	1.8
57.07011	33.0
61.02571	2.2
61.02857	52.5
61.36300	1.6
61.77477	1.2
64.24506	1.2
64.32847	1.6
67.05079	2.8
67.05426	69.2
69.03331	3.6
69.06983	100.0
71.04899	6.8
71.08545	17.3
73.02826	21.7
75.04384	2.3
79.05408	35.9
81.03319	2.5
81.06972	89.9
82.07311	1.3
83.08534	69.3
84.08869	2.1
85.02341	2.5
85.02824	52.6
85.10090	6.4
91.03876	46.4
91.05391	7.5
93.06963	44.5
95.04860	2.1
95.08528	75.5
95.09141	2.6
97.02823	19.7
97.06450	14.9
97.10091	42.4
99.08015	1.7
107.08542	35.5
109.10113	40.1
111.08035	10.5
111.11658	10.5
113.09625	1.4
121.10099	71.1
122.10438	1.9
123.11642	12.6
125.09543	2.9
125.13209	2.0
127.03897	9.9
135.11659	53.8
137.13171	2.1
137.63254	1.6
139.11130	6.6
139.20168	1.4
145.03815	1.5
145.04865	9.9
149.13217	18.8
151.14764	6.1
153.12646	2.4
163.05975	16.2
163.14793	8.1
165.16374	3.0
167.14240	1.9
167.96805	1.5
177.16325	2.0
191.17775	1.9
199.40007	1.4
200.73759	1.6
247.24164	38.1
265.25198	81.7
265.28030	2.6
266.25464	5.7
283.26202	17.8
339.28870	74.9
340.29214	6.6
357.29904	32.3
547.67859	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	682.363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35061	12.9
53.73621	12.8
54.82999	14.6
55.05436	40.3
56.89826	14.6
57.03345	22.8
57.07000	74.2
63.95816	16.6
67.05418	100.0
67.83002	14.6
69.06975	21.5
79.05404	78.9
81.06973	100.0
81.12108	13.5
83.04914	32.4
83.08555	23.4
83.71564	19.4
86.19735	16.6
91.05406	28.9
92.10847	23.9
93.06953	74.9
95.08512	67.9
97.10087	18.1
105.06937	28.5
107.08538	29.6
109.10120	20.4
113.30400	19.6
117.06960	22.5
147.11658	40.3
206.15489	16.5
337.02118	41.5
507.51578	19.1
525.17987	21.6
538.03784	17.4
637.30054	78.6
681.43671	25.5
682.43713	29.5
683.44049	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	682.525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32510	1.4
53.00256	2.7
53.03882	2.0
55.01811	7.8
55.05453	52.7
57.03371	12.7
57.07009	9.8
60.44544	1.6
65.03873	2.0
67.05429	100.0
67.39552	1.6
69.03358	2.5
69.06986	27.9
70.29819	1.6
71.04931	2.7
71.08555	19.2
76.58602	1.7
79.05407	66.5
81.03367	2.1
81.06974	98.9
83.04919	3.9
83.08540	20.2
85.06477	4.0
89.15408	1.5
91.04829	2.6
91.05405	55.8
92.05737	2.1
93.06973	80.0
95.04905	11.9
95.07961	2.9
95.08540	55.0
96.08906	1.7
96.29887	1.7
97.06454	4.2
97.10107	20.7
99.08028	3.4
105.06980	52.3
107.08531	41.3
109.06447	4.2
109.10110	35.1
110.57529	1.8
111.07996	5.6
117.06993	21.4
119.08540	38.7
119.52581	1.8
121.10088	20.7
123.08044	2.2
123.11674	4.1
125.09586	16.2
128.06163	2.7
129.06966	8.6
131.08542	33.4
132.08844	2.2
133.10114	15.7
135.08051	2.8
135.11647	13.3
137.05907	3.4
143.08569	14.2
145.10112	17.3
147.11670	12.1
149.13246	7.4
151.11174	3.1
155.08546	2.6
157.10129	8.9
159.11673	10.1
161.13254	9.5
163.11111	2.3
163.14803	3.7
169.10114	8.0
171.11700	7.6
173.11740	6.2
173.13231	8.0
175.14752	7.0
185.13275	10.2
187.14827	4.1
189.11174	3.6
197.13275	2.7
199.14809	3.0
201.16377	3.3
203.18019	2.3
210.56387	1.9
211.14777	2.3
213.16356	3.1
215.18022	2.5
227.12801	11.9
229.14317	6.8
243.21034	4.5
261.21912	3.1
269.17148	1.8
277.21661	4.1
293.20935	2.4
335.25824	7.2
340.51855	1.7
351.25345	6.4
515.30011	2.6
515.37109	26.9
516.37573	2.3
517.38568	2.2
529.38849	23.6
537.42712	2.6
555.43555	3.1
611.46649	25.4
629.47833	21.4
630.47571	3.3
682.42969	3.1
683.45032	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	682.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	2.1
53.03883	1.2
55.01802	5.4
55.05189	2.1
55.05449	42.1
56.55549	1.0
57.03371	16.7
57.07011	9.6
65.03837	1.3
66.95238	1.1
67.05428	92.2
67.59022	1.1
69.03335	2.7
69.06986	37.1
71.04909	2.8
71.08543	17.4
76.27492	1.3
79.04955	2.5
79.05406	58.4
79.05862	2.7
80.05759	1.2
81.03316	2.5
81.06973	100.0
83.04884	6.4
83.08541	21.9
84.05228	1.2
84.14430	1.2
85.06459	2.3
85.20644	1.4
91.05399	42.7
93.06968	60.8
95.01237	1.3
95.04893	12.4
95.08530	75.3
97.06463	11.2
97.10108	13.4
99.08033	11.0
105.06964	35.3
106.07254	1.3
107.04909	1.4
107.08538	35.2
109.06465	6.9
109.10103	25.1
111.08043	3.0
113.09521	1.9
117.06973	9.6
119.08530	25.3
121.06468	2.3
121.10102	22.0
123.08029	3.4
123.11648	7.7
125.09624	10.1
129.06985	3.2
131.08533	13.0
133.10097	18.4
135.11639	11.7
139.11140	1.6
143.08530	3.0
144.09360	1.4
145.10095	13.5
147.11646	14.4
149.09512	1.4
149.13239	6.7
151.11142	3.1
155.08502	1.4
157.10080	2.2
157.67476	1.3
159.11659	7.6
161.13193	7.8
163.11143	5.2
163.14816	1.8
165.12750	2.2
171.11597	2.0
173.13246	5.2
175.14793	2.3
179.14267	2.0
187.14789	1.8
189.11179	2.0
199.14838	1.7
212.81133	1.4
216.68137	1.4
227.12813	10.4
229.14194	1.6
249.90546	1.5
257.18991	2.0
261.22034	1.6
269.17395	3.2
275.20023	10.8
277.21570	8.3
279.23111	2.6
290.83804	1.5
293.21033	1.9
309.20541	5.4
335.25903	2.0
337.23602	1.4
337.27325	28.7
338.27734	2.0
349.23718	5.4
351.25281	8.5
353.26566	2.6
425.92334	1.6
531.40381	12.3
571.43329	28.7
611.46545	14.4
612.46918	1.7
629.47699	12.7
682.47546	11.1
683.44037	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	17.5
57.03373	5.1
57.07016	3.2
60.05566	2.6
62.64851	2.8
63.40416	2.2
66.21950	2.6
67.05431	50.1
69.06998	22.9
71.08535	3.9
79.05409	18.4
81.06978	60.4
83.08562	12.5
85.10107	10.5
91.05399	10.7
93.06974	19.5
95.08532	52.0
97.10117	3.7
99.08006	4.8
105.06979	10.5
107.08546	15.4
109.10101	13.2
113.09588	10.9
119.08521	3.3
121.10114	6.1
123.11675	3.4
131.08533	2.9
133.10114	11.2
147.11682	10.9
163.14746	4.3
231.14313	2.6
261.22089	11.5
279.23135	29.7
329.83310	3.0
337.27292	100.0
338.27435	3.7
353.26819	54.7
371.27808	10.6
372.41946	2.9
547.51019	2.7
615.49695	46.6
633.51050	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	0.4
55.01811	0.5
55.05459	2.2
57.03368	0.7
57.06994	2.0
59.06036	1.2
60.05579	3.5
67.05436	2.2
67.60198	0.3
69.03335	1.7
69.06969	0.5
71.08530	1.4
72.93288	0.3
79.05405	1.4
81.06983	2.5
83.04895	2.8
83.08527	0.7
85.02828	0.6
85.10130	1.1
91.05387	7.6
93.06961	1.4
94.15418	0.3
95.04887	0.5
95.08545	2.6
103.05430	0.5
104.06211	0.4
105.06960	1.6
107.08529	4.3
109.10088	0.3
111.04388	2.9
115.05422	0.4
117.06961	2.0
119.08532	100.0
119.71367	0.3
120.08897	2.2
129.05437	1.6
133.06459	2.3
135.08047	1.9
257.17374	0.3
261.22296	0.3
279.23264	0.7
325.35330	0.3
339.28870	2.0
353.26843	1.4
385.29303	1.2
459.39127	0.3
519.36780	0.4
525.49799	0.3
538.95013	0.3
542.11060	0.3
572.88940	0.3
614.64795	0.3
617.51166	1.8
635.52802	0.4
653.44043	3.6
654.45044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00261	1.3
53.03893	3.5
53.93618	0.8
54.09500	0.8
55.01814	4.2
55.05453	33.8
57.03378	15.4
57.07010	5.4
65.03875	1.8
67.05430	91.1
68.05779	1.0
69.03363	1.0
69.06987	31.5
69.07340	1.5
70.39525	0.8
71.04909	3.5
71.08547	12.3
79.05412	37.0
79.72379	0.9
81.03337	1.1
81.06975	100.0
82.07340	1.3
83.04908	6.4
83.08533	22.8
85.06474	2.2
85.10117	1.3
91.05404	25.3
93.06979	44.1
95.04905	4.1
95.08530	54.0
96.08911	1.1
97.06429	7.5
97.10101	12.4
99.08036	7.4
105.06975	18.3
107.08547	25.5
107.09208	1.7
109.06490	2.0
109.10099	25.4
111.08033	6.8
113.09592	2.2
117.06991	6.3
119.08543	12.8
121.10108	13.2
123.11671	5.9
125.09596	7.3
129.02823	0.9
129.06953	1.0
131.08560	5.9
133.10072	11.1
135.08060	1.1
135.11667	7.8
137.09625	1.1
137.13214	1.9
139.11128	1.6
139.28777	0.8
145.10107	1.3
147.11696	7.3
149.13202	11.7
151.11195	4.8
157.10107	1.1
159.11684	4.3
161.13242	4.9
163.11171	3.5
163.14784	2.1
165.12787	1.7
173.11673	1.5
173.13127	1.1
175.14790	0.9
177.12773	1.3
179.14204	1.4
189.11220	1.4
195.13699	1.5
227.12741	10.1
229.14372	3.7
245.22487	1.2
263.23526	2.1
269.17407	16.4
277.21512	6.9
279.23145	1.7
295.14398	1.1
295.22601	1.4
337.27240	31.6
338.27530	3.5
351.25143	6.5
353.26886	4.9
379.63150	1.0
435.34747	1.2
472.45187	1.0
487.37732	1.1
491.37247	11.4
515.39948	1.1
531.40363	71.5
532.41168	9.7
544.63086	1.0
613.48242	13.2
614.48676	1.4
631.49286	15.1
684.45190	1.2
687.21899	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.5768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01804	0.9
55.05443	2.8
57.03365	0.7
57.07003	3.2
59.06047	3.4
60.05578	5.9
61.69759	0.4
65.03868	0.5
67.05417	2.8
69.03330	1.0
69.06982	2.4
69.26497	0.5
71.04902	0.6
71.08537	2.3
72.48402	0.5
76.69935	0.7
76.70411	0.5
79.01225	0.5
79.05390	1.1
81.03304	0.7
81.06988	4.0
83.04897	2.3
83.08544	0.8
85.10087	1.0
91.05376	9.1
93.06963	2.7
95.08524	3.6
96.44371	0.5
104.06161	0.7
105.06946	1.9
107.08540	5.7
109.06394	0.5
109.10119	0.9
111.04379	2.1
117.06960	3.5
119.08535	100.0
120.08894	3.9
129.05388	0.9
133.06433	0.9
135.07990	2.2
178.57397	0.5
279.23218	0.7
339.28806	3.1
353.26862	1.3
448.30499	0.6
617.50793	3.3
618.92932	0.6
622.60535	0.7
653.43506	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	685.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	0.4
54.81848	0.2
55.01799	0.8
57.03378	1.6
61.02856	3.4
65.03869	1.8
67.73955	0.2
69.03351	5.5
70.06511	0.2
71.04923	0.6
73.02856	1.4
73.03180	0.2
75.87280	0.2
80.04934	12.2
81.03344	2.5
83.93926	0.2
85.02829	28.2
87.04393	0.3
91.03860	1.1
92.04971	0.2
97.02826	8.8
99.04385	1.0
108.04424	2.3
109.02832	2.8
111.04388	0.9
115.03857	0.2
116.23415	0.2
127.02943	0.2
127.03880	5.8
136.02873	0.4
136.03915	11.9
137.05913	0.2
145.04942	7.8
163.05984	2.4
163.91010	0.2
164.03395	100.0
165.03807	1.6
182.04457	22.9
183.04817	0.3
216.72423	0.3
325.11310	2.2
337.88965	0.2
344.09781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28201	1.4
55.05421	3.5
55.94415	1.3
57.06998	2.6
61.02836	3.1
67.05402	6.7
69.03342	2.2
69.06981	2.7
71.08532	2.4
73.02824	1.8
79.05384	2.8
81.03344	1.9
81.06960	8.6
83.08524	3.5
85.02805	3.6
91.05399	1.7
91.40242	1.4
95.08510	8.1
97.02807	2.4
97.10072	2.6
107.08528	2.4
110.20896	1.5
119.08525	1.9
121.10167	1.7
125.09525	2.7
131.08556	1.8
160.66782	2.0
185.04079	1.6
199.07509	1.6
211.09375	2.1
215.31493	1.6
429.16824	10.2
497.30829	3.8
529.27960	1.7
559.31824	2.0
629.91583	1.9
685.40826	100.0
686.40948	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	685.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07021	4.9
58.85231	1.0
60.18646	1.0
65.18711	1.2
67.05437	2.1
71.08577	1.3
78.95013	1.1
81.06998	4.7
88.80286	1.1
91.05767	1.3
95.08546	1.6
107.08578	2.4
107.78501	1.1
109.10138	1.3
148.89224	1.1
152.04662	1.2
291.61942	1.2
534.00677	1.6
573.49042	6.6
685.43463	100.0
686.44122	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	686.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55173	0.4
53.03881	0.5
55.01814	5.6
57.03367	5.5
57.07794	0.4
61.02838	2.6
68.93851	0.4
69.03349	17.7
71.04887	1.1
73.02817	2.6
76.86593	0.4
81.03330	2.6
85.02824	41.8
86.03141	0.5
91.03864	0.9
91.05403	14.2
91.72636	0.5
95.04890	7.7
97.02821	17.3
99.04389	4.8
101.02327	2.6
103.05341	0.6
109.02827	3.8
109.06426	0.9
114.37811	0.4
115.03859	3.2
119.04890	29.8
123.04375	51.6
124.04737	0.8
127.03870	35.7
128.04163	0.6
136.07547	100.0
137.07890	2.0
145.04041	0.5
145.04927	21.7
147.04384	17.5
163.05968	9.0
165.05429	55.9
166.05708	0.5
182.03281	0.6
182.08089	47.6
183.08476	0.7
191.03854	2.1
200.04459	1.6
211.86069	0.5
259.08032	1.0
261.02649	0.5
289.09094	2.2
321.04916	0.5
325.11182	2.4
353.09030	1.7
389.48447	0.5
434.61752	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3586
Annotation	Ulongamide E
Peak:m/z	Relative Intensity
53.03890	2.6
55.05444	1.9
57.03374	3.7
58.06526	3.8
61.02855	1.9
62.00568	1.7
67.05418	2.3
69.03345	17.2
69.06984	2.1
70.06507	32.3
71.04914	1.9
72.08072	2.4
72.69610	1.8
76.37410	1.8
79.05418	1.6
81.03336	4.2
81.06982	8.2
82.54539	1.6
83.04896	2.3
84.04438	2.9
84.08053	2.4
85.02838	21.7
87.04396	2.1
91.05417	2.2
93.07002	2.7
95.08515	12.6
96.08055	2.9
97.02831	10.6
99.04392	2.6
99.72549	1.7
106.02871	4.0
109.02839	3.3
110.07157	2.3
110.09612	2.2
124.03925	9.1
127.03883	2.3
132.07379	1.9
132.51067	1.8
136.07584	2.7
222.18492	36.2
223.18956	2.5
240.19479	26.7
258.20755	3.6
268.08167	2.7
273.02417	2.0
282.20477	5.9
312.21689	3.8
342.22763	2.0
366.22583	3.2
384.23712	31.1
386.40680	2.0
402.24872	28.0
413.72321	2.0
524.30597	3.2
546.28735	3.0
564.29944	9.5
686.35809	100.0
687.36096	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	686.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16476	1.8
54.67447	1.7
55.05437	13.2
57.03369	9.1
57.06734	3.2
57.07010	93.2
58.61447	1.5
61.02856	38.3
61.96626	2.1
67.05424	24.1
67.50111	1.7
69.06998	17.4
71.08545	58.3
73.02816	13.5
81.06976	35.3
83.08529	21.8
85.02822	30.5
85.10102	33.6
91.03885	23.9
93.06953	3.3
95.07975	2.5
95.08533	49.9
97.02820	15.4
97.10104	20.2
99.11668	3.2
109.10102	19.3
111.11666	2.9
122.73624	2.3
123.11653	12.0
127.03842	5.1
136.03874	2.0
137.13222	3.7
137.30707	2.3
145.04921	4.1
145.39531	1.8
149.02251	2.6
163.05965	8.3
178.12640	2.3
193.04930	8.8
253.25203	16.3
271.26212	3.4
284.29443	4.0
327.28879	100.0
328.29013	3.5
345.29868	42.6
470.98874	2.0
618.06927	2.2
686.38367	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	686.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	3.0
55.01814	5.1
55.05217	3.5
55.05457	54.6
57.03369	20.8
57.07033	18.6
57.07245	2.5
62.97215	2.1
67.05429	88.0
69.06989	65.7
71.04905	4.3
71.08536	18.4
79.05415	50.0
81.03297	3.2
81.06974	100.0
81.99428	2.4
83.04907	8.5
83.08543	39.1
91.05394	25.7
93.06966	56.6
95.04881	5.3
95.08532	60.7
97.06458	11.4
97.10110	25.0
99.08032	4.6
105.06977	15.7
105.98065	2.7
107.08543	40.4
109.10114	29.8
111.08015	6.3
117.06924	5.1
119.08533	5.2
121.10096	24.9
123.11662	3.7
125.09580	10.7
133.10107	11.4
135.11679	15.3
136.39735	3.1
149.13261	21.0
151.11111	3.5
157.57687	2.8
159.11658	9.9
173.76172	2.8
184.07480	2.5
227.12733	17.6
229.14397	3.4
269.17438	22.2
339.28897	50.1
350.23880	2.8
351.25336	11.7
402.77661	2.9
493.38602	13.8
509.38083	3.5
533.41864	91.7
534.41980	4.8
615.49152	11.9
633.50360	11.4
686.44800	4.4
687.47180	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	687.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	7.0
69.06983	14.6
80.59344	6.0
81.06972	14.4
91.21872	6.2
93.06973	8.1
101.84939	5.9
107.86963	7.2
127.58369	6.5
261.28394	7.1
270.18039	8.1
300.08322	7.3
426.14676	7.6
460.16733	7.7
592.88672	8.6
687.45905	100.0
689.15973	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	687.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	2.1
57.03390	1.6
57.07007	2.5
60.62102	0.8
62.33891	1.0
67.05435	8.8
69.07008	2.4
70.83477	1.0
71.08548	2.5
74.19188	1.1
79.05426	4.9
81.06975	8.0
83.04942	1.4
83.08562	1.7
89.05956	1.2
91.05373	1.4
93.06998	2.2
95.08540	5.0
107.04922	1.7
107.08533	1.7
109.10111	1.9
111.04413	2.3
116.74593	1.0
119.08633	1.2
121.10134	2.0
130.98341	1.0
149.14445	1.3
163.11221	1.5
173.09685	1.4
191.10648	1.3
201.02629	1.2
211.34354	1.0
283.15497	2.1
284.15594	1.2
313.27463	2.2
335.21973	2.3
411.74185	1.0
450.07196	1.1
539.39398	2.3
540.39716	1.9
687.48010	100.0
688.48383	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	687.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	0.6
53.04960	0.4
55.05450	3.7
56.45521	0.5
57.03365	0.9
57.07011	7.7
58.66189	0.4
63.09085	0.5
67.05429	6.5
69.06998	3.8
71.08550	5.6
72.78607	0.4
73.06466	1.0
73.23354	0.4
79.05407	2.7
81.06972	6.9
82.07321	0.7
83.04857	0.6
83.08550	2.2
85.10114	2.6
87.04395	0.9
89.05953	11.6
89.06474	0.8
90.06316	0.5
91.05413	2.0
92.67430	0.5
93.06971	3.3
95.08537	4.4
97.06448	0.9
97.10117	1.1
97.37033	0.5
99.08051	0.5
102.82204	0.5
105.06985	1.9
107.07008	0.5
107.08552	2.4
109.10109	2.5
119.08527	1.0
121.10106	1.0
131.08553	0.6
133.08575	5.0
177.11179	1.1
179.47603	0.6
299.29431	0.9
313.27481	0.6
319.22604	0.6
335.22018	1.8
351.21545	2.0
353.23022	0.6
372.25397	0.6
575.50055	1.0
686.46729	2.1
687.47888	100.0
688.48303	11.1
702.20978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.4
55.01799	0.9
56.96475	0.3
57.03367	3.4
61.02855	4.3
69.03348	8.2
70.06498	1.4
70.88541	0.3
71.04900	1.3
72.08060	0.6
73.02823	2.0
75.04401	0.4
81.03342	3.8
83.01286	0.4
84.04399	0.5
85.02827	41.4
86.09608	0.4
87.04389	0.6
91.03894	1.5
92.10255	0.7
95.01249	0.5
96.26359	0.4
97.02821	12.7
97.06497	0.4
98.97509	0.4
99.04372	2.0
103.03881	0.7
109.02831	4.2
110.03615	3.8
111.04372	1.4
116.98591	0.5
123.04344	0.6
125.05947	24.5
127.03867	9.6
129.10181	1.4
139.03888	3.5
145.04941	8.5
153.05441	63.3
154.06227	21.1
155.03348	1.4
155.06841	0.6
163.05971	3.0
167.07069	0.6
169.36543	0.3
170.05702	10.2
171.06172	0.3
178.06241	0.6
185.08054	100.0
185.26724	0.4
186.08414	2.3
194.05768	0.6
197.08130	0.4
209.08075	1.6
221.08018	1.5
227.09097	0.6
236.06787	0.5
237.02583	0.5
251.09012	2.3
275.09290	0.3
295.70386	0.4
311.11111	2.5
325.11307	1.5
342.35516	0.4
347.13272	3.2
364.13330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70139	1.0
55.05447	19.5
57.03379	17.0
57.07001	7.4
59.04924	1.8
60.50925	1.1
61.02848	6.6
61.42706	1.2
67.05428	100.0
68.22711	1.1
69.06987	16.1
71.04902	2.0
71.08541	2.3
79.05409	10.8
81.06976	44.9
81.62566	1.4
83.08534	13.8
85.02846	5.0
85.06464	2.2
89.05975	1.5
91.05409	11.9
93.06986	13.5
95.04900	2.1
95.08530	31.8
97.02834	2.1
97.10114	2.6
99.08051	2.1
105.06971	5.1
107.08533	7.7
109.10106	65.9
111.08041	2.5
113.32637	1.5
119.08535	8.6
121.10116	4.8
123.11653	2.7
133.10097	5.3
135.11662	2.8
136.80328	1.3
137.09607	3.2
140.98523	1.4
147.11688	1.8
149.13219	1.4
155.00835	1.3
155.10641	2.1
161.13194	2.6
173.11691	11.7
174.67545	1.4
184.09805	1.4
211.88326	1.3
229.14310	41.9
263.23746	2.7
337.27295	37.5
338.27515	1.5
491.37225	41.9
492.37271	2.4
573.48151	5.0
657.60083	1.6
687.48010	2.3
688.47583	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	688.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05456	18.3
57.03375	12.1
59.04922	2.6
61.02839	5.5
67.05431	100.0
68.05737	1.3
69.06975	12.4
71.04915	2.0
71.08572	1.5
79.05416	9.4
81.06972	37.1
83.08540	11.3
85.02818	2.0
85.06454	2.7
86.09625	4.7
91.03880	1.3
91.05396	9.2
93.06982	9.6
95.08532	26.7
95.25781	1.3
97.06422	2.0
97.10123	5.3
105.06973	2.2
107.08556	9.2
109.10109	77.1
111.08058	2.4
119.08525	7.1
121.10064	4.5
123.11668	2.3
124.99972	1.7
133.10074	6.7
137.09648	2.6
146.57155	1.4
149.13385	1.7
151.31889	1.5
155.10617	2.4
161.13304	1.2
172.74397	1.3
173.11684	18.8
184.07341	8.8
204.73849	1.3
229.14313	62.2
230.14661	1.6
263.23599	1.5
272.42700	1.5
302.67694	1.4
337.27274	44.9
338.27435	1.6
491.37180	34.4
496.85245	1.7
500.86069	1.6
529.93463	1.6
687.47070	6.0
688.48248	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	688.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	23.2
56.04963	3.5
57.07005	13.1
57.63818	1.8
58.93589	2.0
60.02341	2.0
60.04458	43.6
67.05424	45.0
69.06992	25.0
70.06503	4.0
70.56671	2.5
71.08543	5.9
79.05399	33.0
81.06979	35.5
83.08548	19.0
89.05944	10.0
91.05408	10.6
92.10236	7.2
93.06981	32.3
95.08524	33.6
96.08057	2.5
97.10088	9.7
102.21465	2.4
105.06990	3.2
107.08515	16.3
109.10109	12.7
111.11643	2.7
111.51052	2.4
114.92445	2.5
121.10121	21.6
133.08656	2.9
135.11662	11.7
137.33221	2.3
154.98070	2.5
161.80057	2.2
172.60190	2.4
174.21657	2.6
244.22675	5.0
256.33926	2.5
263.42728	2.4
264.26816	23.1
282.27798	23.5
306.27676	4.2
315.80527	2.6
412.73944	3.0
490.45926	3.6
504.88919	2.3
508.47189	100.0
509.47253	5.8
526.48212	45.7
531.13239	2.5
576.49524	3.2
688.46027	9.8
689.47076	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	689.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14188	1.0
67.05427	2.3
72.68541	1.2
81.06976	1.6
89.05939	1.6
92.10190	2.1
93.07006	1.5
93.24669	1.2
107.08549	1.4
126.81333	1.0
289.21771	1.7
663.81012	1.5
689.47375	100.0
690.47437	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	689.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	0.6
57.07020	0.8
63.07277	0.4
67.05441	2.1
69.07003	0.6
79.05433	0.8
81.06989	2.4
86.09609	0.5
91.05427	0.8
93.06979	0.5
95.08530	2.1
97.06510	0.5
107.08571	0.7
158.96671	0.4
174.97650	0.5
184.07330	0.8
279.46204	0.5
337.23593	3.9
393.26257	1.0
592.26483	0.5
688.48523	2.5
689.49500	100.0
690.49817	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	689.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05420	1.1
68.32381	0.6
71.08578	0.6
71.46942	0.6
81.06982	0.7
89.05938	0.9
92.10230	1.0
93.06956	0.7
95.08524	1.0
151.67537	0.6
170.42712	0.7
198.89587	0.6
337.23541	3.5
353.23114	1.1
409.25009	0.8
562.50391	0.7
688.47266	0.9
689.49500	100.0
690.49811	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	692.23
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02193	1.7
54.42987	1.6
56.04980	2.3
58.14899	1.8
60.04455	1.8
60.05561	3.2
69.03349	3.8
70.06514	29.0
71.06818	1.9
72.08054	2.5
73.49768	1.9
83.06023	3.1
83.64966	1.7
84.04422	10.5
84.08068	12.0
85.02829	10.5
86.05989	38.4
86.09626	2.4
87.04384	11.9
97.02814	4.8
109.02851	2.6
110.07119	4.7
111.05531	8.0
115.21785	2.0
119.04890	2.2
120.08035	2.9
121.02837	10.9
122.60477	1.9
124.03899	4.1
128.08139	39.5
129.10219	4.0
136.07568	2.5
145.02858	2.4
146.09216	23.0
153.06566	3.7
163.03856	3.1
177.05345	2.5
181.04921	3.3
198.23506	2.0
207.02876	4.0
294.05252	3.3
295.05960	21.2
296.06567	2.1
297.07443	3.8
305.07962	2.3
307.05878	27.9
308.06665	4.3
309.07474	7.9
311.05234	2.4
319.06110	7.1
321.07599	11.4
322.07776	2.1
325.06973	27.6
333.07489	2.9
337.07037	17.7
347.09241	2.9
349.06998	4.0
351.08435	2.1
361.06949	3.5
373.07324	3.6
379.08115	12.1
391.08102	4.4
399.03864	3.7
403.07864	7.0
409.09268	2.2
420.45639	2.7
421.09241	4.1
674.21619	7.9
692.22784	100.0
693.23425	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	692.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01810	0.6
55.05440	1.1
56.62629	0.2
57.03378	0.6
57.06998	1.2
65.03849	0.3
67.05421	0.6
69.03337	2.1
69.06977	0.4
69.29840	0.2
78.94096	0.3
79.05396	1.8
81.03340	1.1
81.06970	1.3
83.04874	2.5
85.02818	0.4
86.09612	0.3
91.05402	8.7
93.06955	1.2
95.04894	0.7
95.08502	0.6
103.05410	0.4
104.06178	1.3
105.06966	1.2
107.04906	3.2
107.08522	2.5
109.06463	0.4
111.04368	3.1
117.06974	2.6
119.08533	100.0
120.08878	1.7
121.06445	0.4
121.10063	0.3
123.08015	0.5
129.05435	3.0
133.06454	9.5
133.07484	0.5
133.10069	0.3
134.06845	0.4
135.08009	0.5
149.05922	2.0
163.11156	2.4
179.07014	0.3
184.07323	0.3
203.10580	0.3
203.14326	1.6
205.12186	0.4
219.17404	7.7
225.12924	0.3
235.13249	0.4
249.53703	0.3
259.16898	1.7
279.12234	1.7
295.11758	1.2
522.69751	0.3
545.25189	2.5
563.26129	3.1
619.32556	0.3
675.38654	6.7
676.38745	0.5
693.44153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15575	0.4
55.05442	0.9
56.04957	0.8
58.60172	0.4
60.08095	8.7
64.59042	0.5
67.05408	1.2
69.06990	0.6
71.07291	3.6
79.05396	0.5
81.06947	0.9
83.08504	0.9
86.09628	44.0
87.09956	0.5
93.06966	0.9
95.08542	1.0
98.98393	3.2
104.10674	2.6
105.06945	0.6
105.48572	0.6
124.99966	31.1
143.00934	0.7
160.88982	0.6
184.07309	100.0
185.07632	1.1
243.42300	0.5
274.38287	0.7
692.44415	8.4
693.44885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32449	1.0
67.05414	1.1
70.79121	1.0
76.55114	1.2
81.06998	1.0
92.10829	2.0
107.65459	1.0
113.86801	1.0
118.64350	1.0
125.44836	0.9
139.23616	1.1
172.95258	1.0
188.88869	1.0
202.16078	1.2
249.77077	1.2
318.43027	1.2
345.02109	1.3
693.34424	100.0
694.34705	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	693.4182
Annotation	MONENSIN
Peak:m/z	Relative Intensity
50.47720	2.7
53.02269	2.4
57.00062	2.2
57.03362	4.1
58.29071	2.2
60.47596	2.4
62.00809	2.5
67.05419	16.9
67.65970	3.1
78.47154	2.9
81.06963	5.7
85.02817	6.4
86.09628	4.8
91.03910	2.8
93.06982	4.4
95.08543	3.4
97.02800	4.0
109.10084	5.5
119.58593	2.9
124.99992	6.8
133.30786	3.3
184.07312	19.2
246.02026	3.1
400.99823	2.7
413.17819	13.3
693.41565	100.0
694.41650	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	693.4186
Annotation	MONENSIN
Peak:m/z	Relative Intensity
58.90955	2.0
60.76852	1.8
61.02856	2.7
63.40928	1.9
67.05429	13.5
67.78671	1.8
69.06976	3.5
73.02814	2.8
78.34316	2.1
79.05388	2.3
81.06956	8.5
85.02816	4.8
90.27859	2.5
93.06973	3.3
95.08540	2.8
97.02786	3.1
105.06961	3.4
109.10113	4.1
119.08537	3.3
121.10128	2.5
184.07285	2.2
231.56389	2.1
241.03493	2.4
243.08315	3.8
383.14087	2.1
413.17792	9.0
430.72476	2.6
521.30438	9.0
525.09827	2.6
693.41724	100.0
694.42426	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	694.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21061	0.3
54.76344	0.3
61.01082	4.3
63.29224	0.2
69.03329	0.4
70.06503	1.4
70.07351	0.3
72.75838	0.3
75.02606	1.6
80.84717	0.3
84.08038	0.4
92.61544	0.3
97.02825	1.4
110.07117	0.4
116.98572	0.3
124.03896	1.1
128.32785	0.3
130.09572	0.3
136.06160	100.0
137.06499	1.5
145.03148	0.7
163.04184	0.6
193.07187	0.3
200.48044	0.3
218.95943	0.3
220.65605	0.3
245.96510	0.3
270.76605	0.3
298.09619	16.0
299.09869	0.4
540.05243	0.3
577.83801	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49549	0.4
55.05443	0.6
57.07014	1.1
60.05590	0.5
62.49289	0.4
67.05427	0.7
69.06973	0.7
69.60448	0.5
71.08578	0.5
74.05984	0.7
74.09628	100.0
75.07439	0.5
75.09966	0.8
81.06990	0.5
83.08515	0.6
95.31213	0.5
97.10090	0.6
140.97726	0.5
180.43997	0.5
220.04884	0.6
360.27042	0.6
693.45233	5.3
694.45459	8.5
710.90656	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	2.1
53.03888	2.7
53.84206	1.4
55.01828	2.7
55.05450	62.1
57.03373	28.2
57.07014	42.8
66.19031	1.6
67.05428	39.3
69.03362	8.2
69.06988	17.5
71.01276	2.1
71.08543	26.5
79.05421	26.5
81.06982	34.9
83.04908	8.5
83.08540	41.5
85.02811	7.7
85.10115	13.5
91.05411	10.7
92.65016	1.9
93.06967	18.7
93.98746	1.9
95.01232	2.4
95.04890	2.9
95.08550	22.0
97.06461	2.5
97.09475	4.1
97.10103	89.5
102.10686	1.9
105.06980	4.0
107.08539	29.2
109.10125	12.7
111.08028	2.9
117.06956	2.9
119.08543	3.5
119.64745	2.0
121.10146	3.2
123.11636	3.1
123.87356	1.8
125.09587	85.3
126.09882	1.8
127.01821	2.3
131.08531	3.4
135.08023	8.5
135.11739	2.3
141.01808	7.5
143.10649	4.3
153.09131	4.0
182.08075	1.8
184.07324	2.6
189.11194	59.3
227.12744	100.0
230.58116	1.9
245.13811	81.8
246.14142	2.3
313.27310	64.6
314.27707	2.3
483.36737	53.5
484.37198	2.9
694.44812	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	694.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68768	1.3
57.07018	58.8
60.05558	1.4
61.38420	1.3
63.48464	1.3
66.42338	1.4
68.47419	1.2
75.90051	1.2
85.99142	1.3
90.52554	1.6
91.05399	8.6
93.06969	1.4
97.46539	1.5
145.36148	1.5
147.11656	6.9
153.07008	1.8
233.03641	1.7
250.08403	1.3
251.04611	16.5
297.48758	1.6
327.07761	100.0
328.08191	3.4
383.13986	50.2
439.20239	92.9
440.20721	2.7
495.26627	78.7
496.26556	7.1
551.32880	18.4
607.29846	2.3
607.38959	45.9
608.39368	2.9
663.45337	59.4
664.45239	7.3
682.93243	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	694.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13361	40.3
55.79342	48.5
57.06999	65.0
57.96822	42.4
60.14829	45.3
60.55796	44.6
61.59418	48.4
64.86175	51.9
67.05441	58.4
73.34644	47.3
74.09654	100.0
93.06959	71.1
95.08514	62.7
118.65714	47.7
141.60269	63.3
145.62839	65.1
148.37926	68.8
185.73492	54.3
220.22675	54.0
221.47141	57.7
333.54538	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80925	1.2
55.96718	1.2
57.58018	1.3
59.15259	1.3
59.56832	1.3
68.04245	1.5
75.18012	1.3
84.11446	1.3
88.82144	1.3
92.38778	1.3
94.76646	1.4
97.67818	1.6
98.97536	3.0
104.56671	1.4
116.98592	5.9
143.00142	2.0
153.98289	1.6
158.99612	3.5
161.01237	2.2
163.15857	1.7
171.06442	1.7
177.00734	8.1
185.01180	2.2
203.02292	3.2
219.01883	2.0
237.02927	7.4
238.85510	1.7
267.06540	1.9
279.03900	1.5
503.11240	2.4
644.83337	1.7
695.17816	100.0
696.18726	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	696.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56704	12.0
54.81751	14.7
55.05441	14.6
57.92812	12.3
61.02851	20.2
62.09872	13.2
66.81558	15.6
67.05417	76.8
78.38196	17.6
79.05386	17.5
81.06969	100.0
85.02831	18.7
91.03912	19.8
91.67469	14.5
93.06952	15.1
95.08543	79.5
109.10119	29.2
123.11659	17.4
137.94432	17.0
161.06873	14.2
245.22629	23.9
263.23599	69.8
287.72876	14.3
338.63547	15.9
377.85666	18.4
412.20831	16.6
472.19031	16.6
539.38470	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	696.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	0.6
53.03877	1.3
55.01802	1.7
55.05178	0.7
55.05446	21.0
56.05785	0.3
57.03372	11.4
57.07009	12.2
61.02852	34.3
65.03852	1.8
67.05422	80.8
68.05749	0.8
69.03339	4.1
69.06982	30.8
71.04903	2.9
71.08541	6.4
72.11243	0.3
73.02824	11.1
73.85252	0.3
75.04395	1.5
79.05402	24.1
80.05726	0.4
81.03351	2.2
81.06968	100.0
82.07306	2.1
83.04889	2.7
83.08532	22.6
84.08867	0.4
85.02821	34.5
85.06468	3.2
85.10106	2.6
86.03149	0.3
87.04391	0.3
91.03874	27.3
91.05396	17.9
92.05707	0.4
92.64970	0.3
93.06968	28.6
95.04894	2.0
95.08527	93.4
96.04393	0.4
96.08864	2.1
97.02816	16.3
97.06451	8.3
97.10095	14.3
99.04399	1.7
99.08011	4.1
105.06969	14.0
106.07275	0.3
107.08528	20.5
109.02835	1.6
109.06451	1.4
109.10098	42.2
109.43383	0.3
110.10421	0.8
111.08020	3.8
111.11647	3.4
113.09566	1.8
115.03905	0.6
117.06928	0.5
119.08528	15.6
120.08854	0.5
121.10088	22.5
122.10397	0.3
123.08005	1.6
123.11652	19.6
125.09582	1.9
125.13222	1.3
127.03865	7.8
127.11162	1.4
127.22186	0.3
131.08540	0.6
133.10078	17.9
135.11650	11.3
137.09595	1.9
137.13222	7.9
138.75929	0.3
139.11140	1.7
141.12703	2.0
145.04921	7.0
147.11655	11.3
149.13225	10.4
151.11147	1.8
151.14787	6.2
153.12621	0.4
155.14302	2.6
161.13203	13.0
163.05975	12.2
163.14763	9.8
165.12695	0.6
165.16341	5.0
167.14238	1.4
175.14778	9.6
177.16360	1.6
179.14294	0.5
179.17897	4.9
181.15793	0.8
189.16351	4.8
193.15831	0.6
203.17903	2.0
207.17442	0.7
217.19511	0.7
219.21051	0.4
235.91515	0.3
245.22574	42.5
246.22963	2.6
263.23624	67.5
264.24023	4.8
265.25253	0.7
281.24640	1.8
304.94247	0.4
337.27274	48.0
338.27634	3.8
355.28326	13.3
356.28516	1.3
449.78162	0.3
481.31131	0.5
499.32535	4.3
607.20825	0.4
661.37714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72603	0.2
55.05452	21.7
56.04969	0.6
57.03376	0.2
57.06994	1.5
58.42432	0.2
67.05429	0.4
69.07001	0.6
70.06514	9.1
72.08064	0.5
74.06020	0.3
78.99274	0.3
81.03364	0.4
81.06999	0.6
82.06496	3.5
83.04889	2.6
83.08538	15.3
84.04435	1.4
84.08070	3.3
85.02813	0.5
85.06474	0.6
86.09628	1.5
96.04433	0.3
96.08044	0.4
97.06444	0.5
98.09637	2.5
100.07552	7.8
100.11189	100.0
101.05936	0.5
101.11525	2.0
110.05985	1.9
110.07143	2.2
111.04390	12.6
112.07585	3.5
117.13852	1.6
118.37293	0.3
123.27473	0.3
124.03925	1.4
126.09119	2.3
127.08642	1.5
128.07053	9.8
129.05466	1.2
129.10223	1.3
139.08636	2.8
140.07036	4.6
141.10190	0.4
147.04379	0.3
147.11729	0.4
149.13235	0.3
164.14363	0.5
165.30725	0.3
166.15918	1.6
168.13866	0.5
177.05418	0.3
182.15375	41.2
183.15765	0.7
192.13817	1.3
209.16466	24.0
210.14867	48.2
211.15118	2.1
223.03185	0.3
225.64764	0.3
226.19138	4.1
227.17516	4.8
228.15906	5.9
245.18657	1.6
308.27063	0.5
309.25397	0.6
323.99698	0.4
326.27945	4.3
336.22809	2.2
337.21078	2.6
343.30591	5.4
435.33154	0.7
436.31802	0.4
453.34207	4.9
471.35443	2.4
516.90997	0.4
567.88177	0.4
679.51538	1.7
697.52118	87.3
698.52344	10.9
698.61755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98050	2.5
53.03885	2.3
55.05457	28.0
57.03359	14.0
57.07004	3.6
60.05560	4.6
62.40953	2.5
65.03841	2.5
67.05078	3.8
67.05428	100.0
69.06979	26.9
71.04903	18.4
71.08527	6.3
76.35004	3.0
79.05392	32.8
81.06973	73.4
83.04893	3.3
83.08543	22.2
90.56964	2.6
91.05420	26.1
93.06972	37.4
95.04893	5.8
95.08529	53.0
97.06445	4.7
97.10091	16.8
105.06964	16.6
107.08541	15.8
109.10110	50.5
117.07018	6.7
119.08539	53.3
121.10087	11.0
123.11652	4.4
125.09609	4.9
131.08522	3.8
133.10065	5.0
135.11609	3.6
142.73218	2.7
147.11700	3.7
149.13281	4.9
161.13226	4.2
173.11668	3.2
227.12750	6.3
229.14276	15.1
233.56383	3.3
306.27866	4.1
337.27316	18.2
339.81458	3.4
488.61600	3.0
491.37335	28.4
512.15582	3.2
531.40332	50.6
613.47607	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	700.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50157	3.2
54.64997	2.9
55.05447	19.6
57.03365	5.2
57.07016	87.7
61.02861	29.8
67.05431	58.4
69.03324	3.2
69.06982	22.8
71.04896	4.3
71.08550	60.1
73.02830	7.6
79.05401	22.1
81.06984	62.1
83.08537	23.2
85.02828	35.2
85.10111	38.2
86.09633	8.1
91.03881	23.4
91.05407	7.6
93.06967	18.0
95.04847	3.5
95.08542	68.9
97.02837	8.3
97.10098	21.6
97.24833	3.7
105.06988	7.3
107.08530	15.1
109.10123	28.9
111.11656	3.6
121.83340	3.3
123.11665	8.6
124.99930	13.8
127.03816	4.5
131.08572	5.4
132.67610	3.5
145.04939	4.5
147.11659	6.3
163.05972	5.9
184.07259	16.9
225.56076	3.9
239.57761	4.4
248.33131	4.4
259.11450	3.8
267.26804	15.6
333.39801	4.3
341.30435	100.0
342.30740	5.0
359.31415	35.4
433.57510	4.3
700.44812	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	700.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57505	2.1
55.05444	13.0
57.03374	5.5
57.07012	72.3
60.71746	2.4
61.02846	27.5
64.33869	2.8
65.24931	2.1
66.03387	2.0
67.05418	26.7
69.03357	2.3
69.06997	17.5
69.07312	2.3
70.46016	1.9
70.97228	2.2
71.08547	53.8
71.98302	2.4
73.02839	9.5
73.85899	2.3
79.05379	3.4
81.06980	30.8
81.62777	2.2
83.08544	13.6
85.02406	2.1
85.02818	20.2
85.10103	36.5
91.03876	14.7
93.06905	3.0
95.08525	47.0
97.02808	11.5
97.10106	16.6
109.10110	19.0
111.11702	4.8
113.14085	2.4
123.11647	10.0
158.68381	2.4
163.05949	4.5
186.09094	2.4
192.72260	2.5
193.42581	2.7
260.45618	2.6
267.26691	18.2
341.30453	100.0
341.34573	3.3
342.30719	4.2
359.31323	23.4
360.32098	3.1
415.79050	2.6
596.67889	2.7
700.43597	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	701.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43836	0.5
55.75608	0.5
62.98376	0.5
74.79329	0.5
92.10234	1.1
134.44330	0.5
136.13402	0.6
185.04280	0.9
208.56967	0.5
347.09363	0.7
466.49176	0.5
539.31799	24.7
540.32196	1.0
659.28229	0.5
701.37067	100.0
702.37305	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	701.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82148	0.1
56.04943	0.2
56.96479	0.1
58.06540	1.5
65.03843	0.7
69.03332	0.7
70.06509	1.8
72.08080	1.2
77.89635	0.1
79.05376	0.3
79.14920	0.2
81.03335	0.2
83.06006	0.2
84.04430	0.2
84.08066	8.1
85.02814	0.2
86.09608	0.2
87.05497	0.2
91.05402	9.3
95.94863	0.2
97.02766	0.3
98.09618	1.8
100.07523	0.8
103.05379	0.4
105.06943	0.3
107.04888	0.2
110.07084	1.1
110.09621	0.2
112.11185	16.9
113.07047	0.8
113.11459	0.3
119.04890	25.2
120.05164	0.3
124.03884	0.3
127.03793	0.3
129.13835	9.0
131.97418	0.2
132.05617	0.8
133.02823	0.4
133.06494	0.5
136.07510	0.2
147.04382	100.0
148.05107	2.7
151.07513	6.8
155.11780	3.5
160.05167	1.1
161.05930	0.3
163.07501	8.1
164.07823	0.2
176.04640	1.0
191.06989	35.9
192.07382	1.2
203.11774	0.4
204.10168	8.4
231.11298	1.0
247.14365	5.6
248.12723	10.3
249.13081	0.4
275.17383	1.3
301.15506	0.3
319.20071	2.6
366.15332	0.3
375.27673	0.3
437.22870	1.1
465.23615	0.3
508.26443	0.2
522.27930	1.8
537.29156	1.7
593.15631	0.2
701.37402	43.3
702.26373	0.3
702.37726	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	702.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06740	0.4
57.07010	10.3
58.06529	0.6
58.87407	0.3
65.37435	0.3
66.78369	0.3
70.06504	12.7
71.06831	0.3
71.08540	4.4
75.55563	0.3
76.88283	0.4
85.10085	2.0
88.07553	18.4
95.08545	0.4
102.09117	5.4
106.08611	10.6
119.08440	0.4
244.26280	0.8
270.27869	7.0
276.49698	0.4
288.28894	100.0
289.29355	3.9
456.23773	0.4
674.43695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	3.4
55.05685	0.5
56.98933	0.6
57.07004	1.4
60.08092	10.0
65.55614	0.5
67.05424	5.7
67.40872	0.6
69.06982	2.8
71.07280	5.5
72.39335	0.7
79.05415	1.4
81.06978	6.9
83.08531	1.2
85.72121	0.5
86.09628	53.4
89.05955	1.5
91.05740	1.2
93.06967	2.7
95.08528	4.3
97.10108	0.6
98.98383	5.4
104.10661	4.7
107.08607	0.7
109.10114	1.2
119.30692	0.6
121.10115	1.2
124.99028	1.2
124.99963	36.6
143.00990	1.3
184.07309	100.0
225.04251	1.3
245.57057	0.7
306.27783	4.4
405.85617	0.7
426.98495	0.6
477.40036	0.7
505.14221	0.8
567.98254	0.6
573.48834	5.3
578.89392	0.7
702.50134	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	704.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05429	5.7
56.04979	4.1
57.03348	3.2
57.12423	2.4
57.67764	2.6
58.06521	5.4
60.04437	2.6
60.19664	2.3
63.30136	2.4
67.05412	9.9
69.03356	22.6
70.06512	79.1
72.08054	4.9
73.02821	4.1
74.05981	4.5
79.05386	3.5
81.03333	13.0
81.06946	12.8
84.04416	17.3
84.08045	16.8
85.02835	25.7
86.09624	5.2
91.05448	2.5
93.06953	4.6
95.08535	11.5
96.08073	3.0
96.62836	2.6
97.02807	15.6
97.08820	4.6
99.04365	3.1
101.02267	2.6
101.07085	2.9
105.06948	4.4
106.02853	5.5
108.11977	2.7
109.02824	15.9
109.10110	3.3
110.07112	18.6
110.09653	4.3
116.00800	2.4
120.08027	3.4
121.62294	2.4
124.03919	20.5
127.03850	2.9
129.10204	6.2
129.77037	2.9
152.14261	2.5
173.86504	2.5
222.18520	46.0
223.18802	3.2
240.19530	39.9
260.11636	2.9
268.07840	4.6
282.20819	2.7
312.21786	2.7
384.23746	50.1
402.24750	19.5
408.80612	3.0
523.95996	2.8
542.29437	5.5
546.28833	4.1
551.22510	2.7
564.29871	5.7
704.34741	100.0
705.34766	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	705.1849
Annotation	Occidentoside
Peak:m/z	Relative Intensity
63.84145	0.7
82.21250	0.8
86.73505	0.6
220.24922	0.7
363.07028	1.6
381.07922	3.0
543.13281	5.6
627.86157	0.9
705.18378	100.0
706.18756	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	705.403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93175	0.8
51.61266	0.8
55.05450	14.8
56.05799	1.1
56.96480	2.0
57.03363	2.3
57.07003	6.0
65.95934	1.0
67.05434	21.8
68.05743	1.0
69.07001	8.0
69.09276	1.1
70.07306	0.9
71.08550	1.5
71.46759	0.9
79.05408	7.4
81.06982	16.7
82.07270	1.5
83.04926	1.1
83.08560	9.9
85.06416	1.0
85.10098	1.3
88.91583	1.1
91.05393	2.1
93.06983	6.2
95.08545	12.1
97.06440	1.2
97.10101	18.5
98.10450	1.6
105.06979	1.9
107.08540	6.5
109.10075	4.2
112.99966	2.4
119.08587	1.3
121.10091	4.2
123.37840	1.1
124.99930	1.3
125.09596	11.8
126.09927	1.6
133.10045	1.4
139.27058	1.1
184.07278	5.1
189.11194	6.5
190.11517	1.2
227.12755	11.7
228.13100	1.9
245.13753	10.7
263.23898	1.3
277.96982	1.3
304.18634	1.8
328.49808	1.2
337.27258	7.4
338.27634	6.4
507.36728	5.3
508.36966	6.7
520.96204	1.1
543.27246	2.1
543.34955	30.7
575.50421	8.7
576.51141	7.5
604.32330	1.2
705.39862	100.0
706.40369	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	705.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29161	0.5
54.46805	0.5
55.05446	6.2
57.03359	1.3
57.06808	0.5
57.07014	7.4
58.81205	0.5
58.81531	0.6
62.21901	0.5
62.49531	0.5
67.05113	0.9
67.05431	13.4
69.06986	5.6
71.08547	4.2
76.56300	0.7
79.05399	3.9
79.92934	0.5
81.06981	11.5
82.07324	0.9
83.08535	3.5
85.10117	1.4
91.05388	1.3
92.10271	2.5
93.06975	4.2
95.08520	9.3
97.06442	0.6
97.10082	1.5
104.80544	0.6
105.06972	1.3
107.08552	1.6
109.10105	3.4
112.99963	3.1
119.08546	0.8
120.08102	0.6
121.10120	2.4
121.28328	0.6
123.11686	1.1
133.46883	0.7
149.13289	0.8
169.02634	1.5
184.07352	2.8
292.79810	0.7
313.27484	1.0
575.50128	10.5
576.50586	12.4
577.51392	0.7
705.47058	100.0
706.46906	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	707.5064
Annotation	Ionomycin
Peak:m/z	Relative Intensity
51.09716	0.2
54.91961	0.3
55.05443	0.3
66.00730	0.2
67.05435	0.5
70.69842	0.2
70.92414	0.2
75.61980	0.2
79.05397	0.2
81.06980	0.6
81.17004	0.3
82.07363	0.2
90.75623	0.2
93.06973	0.4
95.08515	0.4
102.08571	0.2
108.53396	0.2
109.10139	0.4
134.98111	0.2
198.58195	0.3
277.37125	0.3
337.23544	2.6
353.56888	0.3
355.28253	0.3
393.26175	1.6
505.39279	0.3
577.40918	1.6
706.49445	0.3
707.50562	100.0
708.50757	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	707.5064
Annotation	Ionomycin
Peak:m/z	Relative Intensity
55.05436	1.4
57.06996	2.0
67.05413	2.8
69.06990	1.9
69.78015	1.1
79.05392	2.1
81.06988	1.8
91.05373	2.0
93.06947	1.4
93.80329	1.3
95.08530	2.3
97.55003	1.1
98.24002	1.2
112.13859	1.2
114.36902	1.3
114.72010	1.2
119.08534	5.3
133.28700	1.2
153.43419	1.2
157.12729	1.3
204.26785	1.2
219.17384	2.0
250.95509	1.5
337.23529	1.5
393.26166	1.7
458.54852	1.4
595.46625	2.6
706.48962	6.8
707.50555	100.0
708.49585	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	708.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64801	1.6
56.54634	1.8
57.07011	63.9
57.21181	1.7
67.05419	4.5
81.06979	4.4
83.84422	2.1
85.11137	2.1
91.05416	3.7
92.10194	3.6
116.53712	2.1
134.98116	3.3
138.38048	2.2
147.11671	8.5
195.63863	2.4
215.51346	2.0
233.03729	2.6
236.14879	11.0
251.04652	13.7
279.86667	2.2
307.10956	2.9
327.04123	4.0
327.07758	100.0
328.08093	3.1
339.48392	2.1
383.13977	48.8
439.20273	92.3
440.20538	4.2
495.26547	71.3
496.26840	8.5
551.32562	30.5
597.48138	8.6
607.29932	3.1
607.39050	58.9
608.39294	4.5
663.35339	2.7
663.45190	70.2
664.45209	9.4
708.58154	3.1
709.47589	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	709.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81766	2.8
56.96498	7.2
58.66142	2.4
58.96377	2.2
66.97315	2.4
70.06519	3.0
86.09608	3.0
98.97499	24.9
116.98576	49.9
134.99638	65.4
137.05965	53.5
137.30586	2.7
153.00793	20.6
226.11082	16.7
235.02753	24.5
238.01410	3.7
244.12122	19.1
252.07310	3.5
253.03760	100.0
268.12103	4.5
271.04858	14.4
307.93954	3.1
344.15012	5.3
404.12296	3.1
404.17380	87.2
628.87988	3.4
693.15759	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	709.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45295	4.1
54.81338	4.4
55.05444	23.7
57.07004	8.6
59.06054	4.0
60.05579	32.3
64.08331	4.7
67.05426	61.8
69.06976	29.1
71.04926	4.3
79.05406	26.8
81.06972	68.7
83.08524	9.7
84.77408	4.2
88.84032	4.3
89.49543	4.0
91.05405	29.3
93.06961	39.6
95.04885	4.7
95.08530	49.3
97.10043	5.7
105.06976	32.7
107.08540	28.8
109.10087	21.9
112.99970	23.7
117.06945	5.2
119.08527	23.9
120.61032	4.6
121.10101	9.6
129.06989	5.4
131.08551	17.7
133.10059	7.6
135.11620	9.6
135.95660	4.7
138.97336	4.4
143.08582	5.9
145.10091	18.7
159.11708	4.7
167.07135	4.7
171.11731	5.0
173.13184	5.2
175.79327	4.4
226.76070	5.1
365.68954	4.8
412.16989	4.6
539.84161	5.3
541.45166	5.4
597.48773	100.0
598.49133	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	710.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	6.4
55.14794	0.9
56.04985	4.1
56.96484	1.1
57.03374	2.2
66.45814	1.0
69.03357	7.8
70.02863	1.2
70.06136	1.7
70.06512	38.9
71.04913	1.4
71.06843	1.4
72.08080	6.3
76.55816	1.0
81.03340	24.3
83.06026	2.4
83.24622	1.1
84.04430	11.2
84.08081	11.7
85.02827	9.7
86.09631	7.0
90.70464	1.1
92.10261	2.5
93.04462	1.3
95.06020	1.5
96.38987	1.1
97.02816	7.6
99.04388	2.7
101.07074	1.4
106.02869	2.7
109.02834	50.7
110.07115	11.9
111.52848	1.0
119.04890	2.1
120.08068	2.8
124.03933	6.9
127.03876	5.1
129.10199	6.6
136.07588	1.8
145.02786	2.1
147.04361	1.2
155.08115	1.9
160.05167	1.2
165.17398	1.4
175.03941	2.5
175.07492	2.4
177.05473	2.8
181.04868	1.4
191.08183	2.4
201.05447	6.3
205.06453	2.9
207.06467	2.0
220.05161	7.8
222.06726	4.5
227.47820	1.2
233.05960	1.6
233.07973	1.5
234.06731	5.4
234.93874	1.2
235.07478	21.4
237.09059	19.7
245.04453	5.3
247.07430	2.3
248.04593	6.1
249.05331	1.9
250.06146	5.1
252.07718	1.4
252.10300	1.2
263.07007	36.0
264.07565	5.1
265.05045	5.0
265.08575	39.9
266.08939	2.3
268.08249	1.9
280.07318	12.7
282.08786	1.9
291.06390	12.2
297.11359	10.9
307.05969	2.2
308.06805	6.4
313.10672	2.9
322.08368	2.8
323.09091	100.0
324.09406	2.8
340.09326	14.2
341.10168	16.8
389.08505	1.4
431.11111	2.6
449.12189	12.4
485.14301	2.8
513.13873	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.5675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53310	0.5
55.05458	1.0
58.99850	0.6
59.06057	18.9
60.05582	100.0
60.08086	0.5
67.05433	2.3
73.12350	0.6
76.33512	0.6
79.05395	0.8
81.06973	1.4
87.68389	0.7
91.05371	0.7
93.06972	1.0
95.08531	2.5
105.94296	0.6
110.05646	0.5
115.63823	0.7
121.10085	0.6
176.03578	0.7
182.72292	0.6
235.47430	0.8
409.79303	0.6
577.37311	0.7
598.48639	2.5
711.47479	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	711.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56727	0.3
55.05442	0.7
56.04963	2.0
56.12149	0.4
60.04457	9.0
61.01094	0.4
63.10368	0.3
65.03875	0.9
68.99732	0.3
69.03336	0.6
69.06969	0.6
70.02837	0.4
70.06509	44.7
71.06838	2.0
72.08066	3.2
74.05986	0.5
75.25332	0.4
78.80394	0.4
79.05411	0.4
81.03337	0.6
82.06497	0.6
83.06017	1.8
84.04424	7.5
84.08072	6.5
85.02817	2.0
85.03935	0.7
86.04236	0.4
86.09622	7.9
88.03899	0.9
90.12151	0.4
91.05398	12.7
92.05762	0.4
93.04450	0.8
96.04353	0.6
97.02822	0.8
98.05956	0.7
101.07024	1.3
102.05518	0.6
106.02840	0.8
109.02850	0.7
110.07113	11.6
110.09621	0.5
111.07434	0.8
112.08704	0.6
115.05388	0.7
115.08640	1.7
117.05688	0.5
117.06525	0.8
117.11080	0.4
119.04895	32.8
120.08026	1.8
121.02813	4.2
124.03903	3.0
127.03796	0.4
127.08634	0.8
129.06593	0.9
129.10193	3.1
130.04970	0.6
130.06488	4.2
131.06847	0.8
132.08046	5.4
132.68318	0.4
133.08360	0.6
136.07527	1.9
145.02855	0.6
145.06116	1.0
147.04387	100.0
148.04735	2.2
155.08156	1.6
159.09140	10.4
160.07582	0.6
160.09467	2.0
165.10286	0.5
166.08636	1.0
169.07602	0.5
170.05960	1.5
175.03902	0.6
177.05424	0.5
181.04912	0.7
184.57565	0.4
187.08655	0.7
189.01753	0.7
207.02806	0.8
212.10310	0.7
221.04407	0.9
268.08081	0.6
270.23358	0.4
281.08029	0.5
283.06082	1.9
291.08630	0.8
294.05103	1.9
295.05850	4.0
307.06100	3.7
307.09143	0.4
308.06595	0.7
309.10010	4.1
309.18375	0.4
313.07062	0.8
319.73843	0.4
321.07446	3.7
325.06967	3.4
333.07425	2.2
335.09027	0.8
337.07053	4.8
345.07483	2.1
349.07047	2.9
351.08536	1.6
361.06955	1.6
363.08429	1.6
367.07971	0.8
373.06885	0.8
375.08676	0.6
379.08041	3.2
385.09329	0.6
391.08044	4.4
392.07755	0.5
403.07898	0.7
409.09268	0.8
415.07697	0.7
427.10193	0.7
433.08832	0.6
463.10403	0.6
525.11493	0.6
555.12567	2.4
573.13776	0.8
591.15179	3.3
621.15894	1.9
645.16077	4.8
675.16296	3.2
693.18115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	14.9
56.04968	7.1
57.07007	5.9
58.02886	3.1
60.04452	3.0
60.08069	2.4
60.34568	1.3
64.30815	1.3
65.03862	1.9
67.05424	22.7
68.04945	2.3
69.06975	12.9
70.03352	1.3
79.05400	17.4
80.04929	2.9
81.06977	22.6
82.06496	11.9
83.08542	7.1
86.05975	1.9
86.09605	12.7
86.48494	1.6
91.05403	10.9
93.06960	9.8
94.06473	3.2
95.08549	16.6
97.10120	3.0
98.30077	1.3
104.10672	26.6
105.06970	6.6
107.08542	7.0
109.10114	5.5
119.08520	8.8
121.10121	2.4
124.99982	2.4
141.11064	1.5
184.07349	8.1
197.33537	1.8
250.25314	6.8
262.25253	3.3
280.26270	100.0
281.26611	7.0
298.27353	20.1
351.33356	1.5
545.59625	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	714.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53251	0.7
53.03874	1.6
55.05451	12.2
56.04988	6.5
57.03392	0.9
57.06999	5.9
57.93026	0.9
60.04442	1.7
65.03857	1.3
67.05425	20.5
69.03358	1.2
69.06982	14.2
69.97070	0.7
70.06497	1.2
71.08559	1.6
79.05405	16.2
80.04923	4.6
81.05697	1.9
81.06979	16.4
82.06508	12.8
83.08538	8.2
84.12122	0.9
85.02821	1.9
85.71823	0.9
91.05408	12.2
93.06980	14.5
94.06506	30.8
95.04862	1.6
95.06815	1.1
95.07284	15.8
95.07888	1.1
95.07996	1.0
95.08532	15.3
96.08047	8.1
97.10068	4.0
105.06969	9.9
107.08521	7.8
108.08040	6.2
109.10122	6.7
116.08263	0.8
119.08532	8.3
121.10091	6.0
122.09605	5.1
123.11614	1.4
124.11209	1.1
129.27943	1.0
133.10059	4.3
135.10458	1.3
135.11603	1.9
141.39452	0.8
147.11688	1.6
151.18088	0.9
175.78529	1.0
179.43015	1.2
233.22623	1.6
245.22581	4.4
250.25333	7.0
262.25244	100.0
263.25583	4.3
267.07806	1.0
272.25656	2.1
280.26199	8.9
301.72556	1.0
304.26224	5.1
504.47574	4.0
516.47662	27.8
517.48010	2.0
518.48840	2.2
534.48724	17.0
535.48853	1.4
608.98334	1.1
696.53229	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	714.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	0.9
53.17020	0.4
55.05196	0.4
55.05449	10.8
56.04981	5.5
57.06768	0.5
57.07003	4.0
58.47861	0.4
60.04444	2.3
60.05550	0.4
66.06706	0.5
67.05080	0.8
67.05428	18.5
68.04944	0.6
69.03336	1.7
69.06644	0.7
69.06989	11.8
70.06497	2.8
71.08530	2.1
79.05403	15.5
80.04929	4.3
81.03320	1.7
81.05705	2.3
81.06976	15.4
82.06494	9.2
83.08533	6.5
84.08057	0.6
85.02827	3.4
85.10104	0.9
91.05400	13.1
93.06974	13.3
94.06492	29.1
95.04902	3.2
95.06730	0.8
95.07281	14.2
95.08528	11.0
96.08060	7.9
97.02760	0.5
97.06436	0.8
97.10093	2.7
105.04442	0.5
105.06967	10.3
106.78271	0.4
107.08531	6.8
108.08065	4.1
109.10103	5.6
111.11663	0.9
119.08527	6.7
121.08823	0.5
121.10101	6.7
122.09614	3.7
123.11601	1.0
133.10095	4.7
135.10626	0.5
135.11670	4.3
136.11171	0.8
137.13255	0.7
147.11655	2.0
149.13298	0.7
158.73586	0.5
161.13232	0.6
175.14822	0.5
233.22664	2.2
234.22206	0.9
245.22591	3.3
250.25238	10.1
251.25603	0.6
254.24678	0.9
260.23529	0.6
262.25238	100.0
262.58319	0.5
263.25696	5.7
272.25696	3.4
277.29730	0.5
280.26294	7.1
307.14676	0.5
504.47687	5.6
516.47675	28.9
516.55414	1.0
517.47845	2.7
518.49365	5.5
534.48688	19.0
535.48938	2.2
552.82098	0.6
696.53876	8.6
697.53516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	0.2
55.01797	0.9
56.04982	0.1
57.03354	0.2
57.41516	0.1
59.27155	0.1
60.04460	0.2
61.02859	0.2
65.03862	1.4
67.05425	1.6
69.03366	0.2
70.06512	3.0
70.61827	0.1
71.01279	0.3
71.06791	0.1
71.99508	0.1
72.08066	0.2
74.05971	0.2
77.03819	0.1
77.84625	0.1
81.03314	0.2
83.06017	0.1
84.04435	0.7
84.08080	0.8
85.02824	0.9
86.09634	0.3
95.04884	1.5
97.02840	0.2
106.02869	0.2
108.02026	2.9
109.02824	1.0
110.07095	0.7
111.04411	1.2
112.01521	0.3
115.08669	0.2
119.04897	0.9
120.07972	0.2
121.02818	2.7
121.03783	0.2
121.03967	0.2
123.04356	0.2
124.03915	0.3
127.03851	0.5
129.10205	0.2
131.04878	0.2
133.06410	0.2
135.04327	0.2
136.01541	0.2
136.28719	0.1
141.05449	4.8
145.02859	0.6
147.04356	0.2
151.03885	100.0
151.04962	6.9
152.04204	2.0
159.09210	0.2
175.07475	0.2
181.04990	0.2
187.03864	0.2
189.01836	0.6
191.03383	0.6
195.02853	0.3
203.03436	0.7
205.05017	0.3
207.02826	0.7
207.06503	0.2
217.04913	0.3
219.02808	0.3
219.06505	0.2
221.04414	0.3
229.04819	0.3
231.02936	0.2
231.06381	0.2
268.07553	0.2
279.06241	0.2
281.07950	0.1
283.05856	1.0
291.06406	0.2
293.07898	0.2
294.05090	1.4
295.05637	2.8
295.08725	0.3
296.06686	0.3
297.07523	0.5
305.08163	0.2
307.05951	4.3
308.06674	1.3
309.07349	1.0
313.09305	5.6
314.09366	0.2
319.06094	0.6
320.06741	0.3
321.07498	2.9
322.08261	0.7
323.05566	0.2
323.09128	0.3
325.07016	3.9
329.07898	0.3
333.07559	1.6
334.08063	0.2
335.08997	1.6
336.06082	0.2
337.07022	4.1
338.07291	0.2
345.07507	1.7
347.09360	0.2
349.06964	2.6
349.10886	0.3
351.08398	1.6
352.08875	0.2
355.07986	0.2
361.06921	1.7
363.08624	1.4
367.08102	1.0
373.06979	1.0
375.08606	0.7
379.07999	4.2
380.08517	0.2
385.08972	0.2
387.08521	0.2
391.08023	3.9
392.08896	0.2
395.13373	0.2
401.10056	0.2
403.08005	0.8
409.09271	1.1
415.07849	0.3
427.10056	0.9
457.10178	0.3
470.80258	0.2
475.10492	0.3
481.11328	0.9
487.10294	0.5
505.11313	0.3
511.12482	0.6
529.11224	1.3
559.12042	1.9
577.13312	1.9
595.14148	2.3
607.14343	0.3
625.15448	1.6
649.15350	5.0
661.15253	0.5
679.16687	2.8
693.12341	0.2
697.17706	1.7
715.17786	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02325	0.1
53.03878	0.2
55.01812	0.9
56.04967	0.5
57.03363	0.2
58.31255	0.1
60.04444	0.2
61.02853	0.1
64.33703	0.1
65.03869	1.3
67.05431	1.8
68.99667	0.1
69.03354	0.5
70.06513	3.7
72.08071	0.2
72.94481	0.1
74.05986	0.2
77.03875	0.1
81.03331	0.5
83.06010	0.2
84.04437	0.8
84.08055	1.1
84.33958	0.1
85.02835	1.0
86.09639	0.7
91.05401	0.6
93.03358	0.2
93.04436	0.1
93.06961	0.1
95.04901	1.8
96.04385	0.2
97.02825	0.6
101.07092	0.2
102.05486	0.2
105.06979	0.2
106.02866	0.5
107.04906	0.2
108.02045	2.3
109.02855	1.0
110.07128	1.6
111.04381	1.3
112.01564	0.1
112.42639	0.1
115.08621	0.1
119.04888	0.6
120.08096	0.2
121.02814	2.9
121.03761	0.2
123.04379	0.2
124.03909	1.0
127.03883	0.4
129.10193	0.6
131.08469	0.2
133.10112	0.5
135.04385	0.2
136.01497	0.2
136.07576	0.2
137.06001	0.1
141.05450	4.5
142.05745	0.2
145.02869	0.4
147.04395	0.2
149.05960	0.1
151.03891	100.0
151.04968	7.0
152.04236	1.5
152.05347	0.1
154.99992	0.1
159.04399	0.1
159.09177	0.5
175.11087	0.1
177.05484	0.2
181.04970	0.1
189.01811	0.5
191.03415	0.5
193.12302	0.2
195.02820	0.5
199.03996	0.1
203.03366	0.7
203.06903	0.1
205.04886	0.2
207.02884	0.9
210.48816	0.1
215.03377	0.4
217.04890	0.4
219.02986	0.4
221.04485	0.5
229.05008	0.2
231.06468	0.1
233.04469	0.4
235.05885	0.1
245.04411	0.2
268.07745	0.2
273.03876	0.2
279.06540	0.2
281.08066	0.5
283.06039	0.7
292.07410	0.1
293.08014	0.2
294.05246	1.4
295.05679	3.0
295.08646	0.2
296.06531	0.4
305.08261	0.1
307.05969	4.5
307.09445	0.3
308.06686	1.4
309.07501	1.3
313.09305	5.5
319.05975	0.8
320.06720	0.6
321.07471	2.5
322.08109	0.5
323.05472	0.1
323.08975	0.2
325.06985	3.8
329.07944	0.2
333.07422	1.4
334.08231	0.2
335.09058	1.1
336.06314	0.2
337.07031	4.3
337.15781	0.1
338.07147	0.2
345.07443	1.2
347.09119	0.6
349.07028	2.4
351.08749	1.6
355.08112	0.7
361.07013	2.1
362.07745	0.2
363.08578	1.3
367.08069	0.7
373.06903	1.0
375.08707	0.6
379.08051	2.9
385.08994	0.2
391.08093	4.4
392.08206	0.2
403.08130	0.9
409.09009	1.2
415.08237	0.2
421.08698	0.2
427.10437	0.8
433.08951	0.2
439.10126	0.2
457.10733	0.5
463.09781	0.2
475.10498	0.7
481.10898	0.2
487.09979	0.2
505.11026	0.5
511.12000	0.8
529.11334	1.2
541.11218	0.2
559.12329	2.1
573.44733	0.1
577.13330	1.3
595.14355	1.5
607.14026	0.4
625.15234	1.5
649.15350	3.1
650.15436	0.2
661.15289	0.5
673.88403	0.1
679.16541	2.4
686.61884	0.1
697.18201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.4
54.81947	0.3
55.01812	0.4
55.05257	0.3
55.05448	3.8
57.03373	0.7
57.06994	1.2
57.75993	0.3
61.09390	0.3
63.84745	0.2
65.03859	0.3
67.05191	0.3
67.05423	3.9
69.03065	0.3
69.03356	4.5
69.06976	1.8
77.00497	0.3
79.05396	2.0
81.03323	1.6
81.06965	4.0
83.04890	4.0
83.08516	0.6
85.02834	2.5
87.04411	0.4
89.05945	0.7
91.05403	8.4
93.06973	0.6
95.01547	3.9
95.04890	2.3
95.08521	1.6
97.10081	0.5
98.05978	3.4
103.05379	0.7
104.06190	0.7
105.06969	1.4
107.08510	1.9
109.10133	0.5
111.04395	3.1
112.07538	0.3
117.06972	2.5
119.08530	100.0
120.08858	1.7
129.05432	1.4
133.03197	0.5
133.06450	7.1
133.07394	0.5
133.08539	0.4
133.10060	0.4
135.08046	0.6
143.08498	0.4
145.03120	0.5
145.10179	0.5
155.01869	3.1
157.10092	0.4
171.01350	15.1
172.99358	0.6
185.02924	0.4
197.02953	0.8
199.11043	0.6
217.85657	0.3
237.09668	2.7
251.11263	0.8
263.11090	0.5
271.13467	0.7
275.72931	0.4
280.26315	0.7
281.26520	0.6
282.27798	0.7
299.85281	0.4
303.18042	2.2
304.26379	0.8
305.26776	0.6
306.27838	24.0
307.28281	1.4
313.27350	0.7
347.10312	0.3
385.77982	0.4
417.22598	1.3
431.22601	0.8
497.20129	0.4
563.28387	1.6
699.37152	1.8
738.93964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	0.4
54.81318	0.2
55.01803	0.4
55.05453	8.3
57.03362	1.1
57.06740	0.2
57.07013	5.1
59.88137	0.2
60.04453	0.5
62.06003	0.4
67.05430	9.6
69.06988	9.4
70.06483	0.2
71.08548	3.0
73.73946	0.2
79.05398	2.4
81.06974	9.2
83.08537	3.8
84.08075	0.2
85.05219	1.5
85.06423	0.2
85.10090	1.2
85.31389	0.2
86.05990	0.5
89.05944	1.6
91.05409	1.1
93.06969	1.9
95.08533	6.8
96.08054	0.3
97.10088	1.2
98.05368	0.5
98.05988	13.4
99.06829	0.3
105.06956	1.0
107.08548	1.2
109.10107	2.6
110.09647	0.3
112.07549	1.5
119.08489	0.4
121.10075	1.0
123.11651	0.9
124.11143	0.4
126.09076	0.2
133.08603	0.2
138.12679	0.2
140.10670	0.5
154.12238	0.5
166.12346	0.3
168.13783	0.5
182.15341	0.3
183.87939	0.2
196.16933	0.5
205.79909	0.2
208.16837	0.8
210.18645	0.3
222.18465	0.5
236.19995	0.4
255.52406	0.3
264.22946	0.3
282.27893	4.2
306.27856	100.0
307.28156	5.9
307.31436	0.3
313.27347	6.5
313.30893	0.3
367.35779	2.2
536.50024	1.4
554.50958	0.4
573.48676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	1.3
57.40220	0.5
64.09103	0.6
67.05441	1.2
69.06979	2.2
69.79002	0.5
71.08533	0.7
71.33132	0.5
79.05401	0.8
81.06971	2.5
92.27231	0.5
95.08572	0.9
98.06001	1.3
122.07599	0.5
144.94910	0.6
158.97173	0.6
219.28458	0.6
282.73856	0.7
292.39572	0.7
306.27869	10.8
307.28314	3.4
337.20242	0.7
356.79391	0.6
466.92786	0.6
524.00989	0.6
536.50348	0.6
629.17645	0.6
717.34418	100.0
718.34698	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	721.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52254	1.6
67.05443	2.2
69.06987	1.7
72.14393	1.5
74.09633	1.7
87.97549	1.6
104.26340	1.7
119.08566	8.7
120.08907	2.8
305.26605	2.4
306.27960	1.8
721.35535	100.0
722.36011	18.5
723.54779	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	723.195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06532	0.6
82.75491	0.4
110.58936	0.4
112.90914	0.5
118.08604	12.8
176.07590	0.7
200.07684	1.1
215.02318	0.5
218.08794	2.0
223.87941	0.6
230.08670	0.7
299.41373	0.5
302.10699	0.7
319.34314	0.5
381.07861	100.0
382.08432	3.6
395.26382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	3.2
55.05455	26.7
56.22070	2.7
57.03371	4.6
57.07001	6.5
57.12651	2.4
58.94951	2.9
61.02855	46.5
67.05431	88.2
67.99039	2.5
69.03329	5.2
69.06989	39.2
71.08553	3.9
73.02821	7.0
79.05400	17.5
81.06973	100.0
83.08537	27.6
85.02832	35.3
86.09630	5.7
91.03864	26.3
91.05399	15.7
93.06969	27.8
95.08533	95.9
97.02831	15.4
97.10103	13.0
105.06956	11.2
107.08531	15.8
109.10101	43.4
119.08564	6.0
121.10125	26.9
123.11656	15.5
127.03876	4.8
133.10106	16.3
135.11676	13.7
137.13203	6.3
145.04935	6.7
147.11688	4.7
151.14815	6.0
161.13235	12.2
163.05997	7.3
175.14818	5.2
177.16347	3.8
184.07262	13.6
211.59462	3.3
261.31360	3.3
272.23834	3.0
273.25708	33.7
291.26782	63.7
308.29239	3.7
365.30441	48.1
383.31161	5.7
723.50055	9.1
724.50153	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	726.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	3.6
55.05210	4.1
55.05452	56.4
56.23289	2.8
57.03378	7.4
57.07017	28.3
60.89914	2.8
61.02859	30.2
67.05430	100.0
69.03344	5.7
69.06989	71.6
69.19732	2.8
71.08540	14.1
73.02845	11.5
79.05416	52.4
81.06976	91.0
83.08532	49.1
85.02829	33.8
85.10095	5.0
91.03880	23.4
91.05388	23.5
93.06973	54.8
95.04895	3.8
95.08536	72.8
97.02812	12.4
97.06448	4.7
97.10107	33.5
105.06971	17.0
107.08557	23.3
109.10107	37.3
111.08044	4.1
111.11668	6.8
112.99986	15.8
119.08530	6.6
121.10109	44.1
123.11658	18.1
127.03895	3.5
133.10130	3.7
135.11653	37.7
145.04889	5.8
147.11572	3.9
149.13174	7.3
163.05997	6.1
163.14793	3.9
177.16412	3.4
275.27216	22.1
277.49747	3.0
293.28299	51.9
311.29587	4.7
358.71906	3.3
367.31998	68.3
385.33044	40.9
545.50195	4.3
597.48645	88.8
598.48895	4.3
705.93500	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	726.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36615	0.8
55.01813	1.8
55.05445	12.4
57.03365	1.6
57.07016	6.9
58.59010	0.9
60.08092	11.8
67.05420	12.9
69.06979	5.4
71.07275	4.9
71.08540	3.9
74.09614	1.1
76.06703	0.9
79.05405	14.2
81.03323	1.0
81.06976	12.8
83.04898	2.0
83.08555	10.9
85.10110	2.2
86.09624	57.8
91.05396	2.0
93.06973	15.6
95.04871	2.4
95.08542	17.9
95.77516	0.9
97.10094	11.2
98.98370	5.3
99.04395	1.2
100.42638	0.9
105.06972	4.2
107.04913	2.3
107.08524	12.3
107.09839	0.9
109.10080	3.9
117.06967	2.3
119.08511	5.6
121.06424	1.2
121.10084	4.8
123.11634	1.0
124.99960	35.5
125.09643	7.8
128.31787	1.0
133.10107	1.1
135.08023	1.9
135.11665	16.9
145.10095	9.2
163.11137	20.2
181.12163	2.4
184.07295	100.0
189.11224	4.9
198.25951	1.0
227.12708	28.6
283.15540	1.2
320.65863	1.1
339.50598	1.3
365.11743	1.2
429.48911	1.1
435.23767	1.9
453.24881	14.5
483.36710	10.8
501.92398	1.2
521.38257	9.3
597.48578	1.4
691.47736	8.2
718.91248	1.2
726.50092	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	727.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	4.8
54.28986	2.4
55.01809	9.8
57.03366	8.3
58.43020	1.9
61.02861	8.5
67.51705	2.5
69.03349	26.1
70.06525	18.5
73.02843	3.4
81.03327	12.9
84.04419	4.9
84.08100	4.0
85.02339	3.4
85.02832	55.4
86.09593	3.6
97.02814	15.2
97.65606	2.5
99.04401	2.9
107.04835	3.1
109.02805	14.7
110.07108	16.0
119.04874	12.4
121.02827	52.9
127.03876	4.4
136.07533	4.3
145.02811	4.6
147.04510	2.6
149.02229	3.0
161.29062	2.4
163.03935	2.8
166.49263	2.5
189.01817	3.9
191.03281	4.0
194.93159	2.9
195.02844	5.2
199.03914	3.0
203.03319	17.8
207.02824	16.3
215.03412	3.5
217.04922	5.1
219.02844	4.9
221.04448	12.8
229.04822	3.8
231.02875	3.6
233.04404	3.3
237.02739	3.8
273.04010	3.5
279.06610	5.5
281.08005	5.5
283.05939	10.3
293.07861	2.6
294.05219	27.9
294.08279	3.6
295.05984	91.0
295.09375	4.0
296.06552	13.0
297.07477	10.2
305.08081	3.2
307.05960	74.7
307.09393	3.3
308.06573	25.9
309.07483	26.5
313.07101	3.9
317.08090	4.2
319.06149	8.2
319.09421	2.7
320.06769	11.0
321.07523	64.5
321.10925	2.6
322.08301	22.7
323.05411	3.1
323.08981	9.5
325.07016	90.7
333.07492	28.5
335.09106	22.0
336.06213	8.2
337.06995	78.4
345.07196	2.8
347.09094	18.5
349.06998	63.7
349.10767	5.0
350.07568	3.0
351.08646	30.1
355.07971	10.0
361.07080	24.1
363.08572	21.9
365.10184	11.2
367.07968	13.6
373.07162	5.0
375.08447	18.1
377.10175	4.2
379.08075	100.0
380.08408	3.5
387.08139	4.5
391.08069	34.4
393.09808	3.2
397.09222	22.2
403.07861	23.3
405.09485	11.0
409.08997	29.2
415.09351	11.2
419.11563	5.0
421.09021	15.5
427.10107	27.7
429.09256	2.7
433.09039	37.8
439.09952	5.4
445.11200	39.8
451.10257	34.5
457.11325	32.7
469.11185	53.9
475.10165	4.5
481.11029	15.3
493.11176	17.9
499.12189	34.6
511.12286	35.0
529.13361	40.2
547.06586	3.9
547.14404	86.4
548.14569	3.5
565.15326	14.3
691.18671	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	727.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	2.6
55.01817	9.5
57.03359	9.1
60.38529	1.3
61.02853	15.0
61.63556	1.5
68.99710	1.9
69.03345	33.1
70.06512	15.0
71.04898	2.2
72.08057	2.0
73.02814	7.6
81.03329	12.2
83.01245	2.3
83.05991	1.5
83.54981	1.3
84.04408	2.9
84.08069	2.6
85.02821	59.9
86.09617	2.2
87.04367	2.3
91.03876	2.5
91.05398	1.5
92.10310	2.5
95.04824	1.4
97.02811	21.2
99.04384	2.4
103.03865	1.8
107.04856	2.6
109.02816	8.4
110.07104	9.9
119.04893	12.2
121.02814	60.8
127.03864	12.1
132.08032	1.6
135.04367	2.0
145.02783	9.4
145.04994	1.7
147.04410	2.8
149.05922	1.4
159.04364	1.6
159.09114	2.4
171.04298	1.5
173.05888	1.6
175.03880	1.6
177.05310	1.8
179.03329	3.1
187.03813	5.6
189.01782	5.5
189.05478	1.8
191.03308	6.7
195.02859	9.7
201.05350	1.7
203.03352	20.2
205.04947	2.7
207.02864	13.2
209.04291	1.8
215.03322	5.6
217.04967	7.9
219.02916	9.6
221.04393	9.0
229.05008	2.2
231.02855	1.8
233.04385	8.1
243.02942	1.8
245.04459	6.5
255.06265	1.6
267.06442	2.3
268.07291	3.1
271.06058	1.9
273.03928	5.4
279.06436	8.4
280.07178	6.2
281.07935	6.7
283.05902	9.6
284.06583	2.5
287.05276	1.6
292.07098	1.6
293.04550	1.4
293.08005	3.1
294.05212	28.6
295.05951	100.0
296.06421	9.7
297.07336	15.8
305.07959	2.7
306.08722	5.7
307.05975	69.5
307.09393	5.8
308.06650	26.6
309.07437	26.7
310.07962	1.9
313.07068	7.6
317.07883	2.4
319.05981	9.6
319.09296	1.7
320.06641	13.4
321.07483	71.9
322.08069	11.5
323.05527	1.9
323.08957	9.2
325.06985	88.8
326.07455	2.2
329.08060	5.9
331.05811	1.9
333.07538	28.1
334.08319	7.7
335.05548	2.8
335.09058	31.3
336.06082	6.6
337.06973	75.8
338.07263	2.1
339.08450	5.4
343.08987	1.4
345.07617	17.1
347.09097	10.4
349.06973	74.8
350.07458	2.2
351.08548	29.8
355.07962	15.4
359.09076	5.8
361.02609	2.0
361.06934	35.2
361.10837	2.0
363.04401	2.2
363.08594	37.4
367.07993	13.2
373.06866	17.3
375.08688	15.0
379.07990	71.4
380.08490	2.2
381.09552	2.2
385.09006	2.6
387.08578	12.6
389.10159	1.9
391.07974	72.4
392.07986	1.9
393.09445	2.7
399.08282	1.8
401.09863	6.2
403.07935	25.4
405.09451	7.2
409.09061	62.0
415.08066	14.4
417.09357	5.3
421.08936	11.3
427.10138	94.1
428.10419	2.5
429.09314	2.3
433.09055	18.6
439.10001	8.0
445.10992	13.4
451.09772	3.2
457.11191	18.6
463.10095	12.7
469.11432	1.8
475.12006	22.7
481.11081	28.8
493.11020	8.3
499.12308	23.9
511.12256	76.1
512.12347	3.0
529.13312	59.9
530.13397	1.7
547.14331	73.9
548.15247	4.1
565.15424	10.4
589.15173	3.2
691.18207	2.8
709.19263	3.1
727.20062	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	727.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	2.2
55.01802	9.6
57.03357	6.1
57.07011	2.0
61.02848	6.9
63.78622	1.4
69.03351	16.8
70.06504	12.5
73.02819	3.5
75.36900	1.2
80.75243	1.6
81.03323	8.3
84.04431	2.9
84.08066	2.6
85.02343	1.9
85.02824	39.1
91.05376	1.5
97.02817	15.1
99.04381	1.7
99.85241	1.3
101.48345	1.5
107.04916	1.4
109.02814	6.3
110.07093	6.2
119.01843	1.4
119.04887	7.2
121.01994	2.5
121.02811	40.4
123.01357	2.3
124.03876	1.5
127.03873	5.5
131.32510	1.5
145.02808	7.8
147.01340	2.2
147.04390	2.2
157.03447	2.0
175.04448	6.5
177.05482	6.5
185.02910	2.3
189.02036	2.6
191.03371	3.4
195.02824	7.5
199.09386	9.1
203.03342	13.3
203.07619	1.7
205.04800	2.0
207.02808	8.8
213.05374	2.0
215.03372	3.2
217.04982	6.1
219.02861	6.7
221.04436	6.0
231.02795	2.1
233.04474	2.6
241.04840	2.1
245.04150	1.6
261.03998	1.7
267.06497	2.0
273.03729	1.6
279.06354	6.1
280.07330	1.9
281.07971	6.1
283.05981	9.9
287.09723	20.8
292.07410	2.1
293.07806	2.7
294.05228	17.5
295.02905	2.4
295.05930	68.7
296.06561	10.0
297.07315	7.4
307.05948	45.9
308.06607	17.2
309.07462	16.8
313.06918	5.7
317.08029	1.8
319.05948	6.7
320.06702	8.4
321.07477	40.2
322.08188	9.1
323.05423	2.9
323.09003	8.0
325.07013	55.7
326.07224	2.2
329.10852	6.6
333.07529	22.6
334.08078	5.6
335.05414	2.1
335.09088	18.7
337.06915	47.7
338.07483	1.9
339.08139	4.8
345.07608	9.9
347.05316	1.8
347.09100	7.3
348.06168	2.7
349.07007	42.9
350.07468	2.7
351.08469	17.9
355.07907	7.3
359.09198	1.9
361.06982	20.1
362.07410	2.0
363.08554	23.8
364.08768	1.9
367.07965	10.4
373.06824	13.5
375.08597	9.2
375.12552	100.0
379.08047	59.7
380.08102	2.0
387.08420	5.2
391.08051	46.3
397.08871	6.0
403.08179	13.7
405.09485	2.7
409.09094	31.1
415.08124	6.6
421.08978	3.0
427.10104	39.2
428.10205	2.3
433.09067	16.0
439.09976	5.8
445.11230	11.6
451.10062	6.0
457.11041	13.7
463.10086	5.4
469.11188	11.3
475.11368	8.5
481.10986	14.2
493.11093	6.9
499.11844	11.5
511.12186	31.7
529.13458	25.7
547.14398	39.8
565.15009	6.2
571.13934	3.5
589.15039	12.5
643.16412	2.7
661.17566	3.5
673.17358	10.9
691.18134	9.6
709.19720	2.3
727.20398	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	728.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62724	0.1
53.00253	0.1
53.03894	0.2
54.81916	0.2
55.01804	0.3
57.03366	1.2
61.02853	2.0
69.03345	4.0
69.06998	0.2
71.04904	0.3
73.02826	0.8
74.02345	0.2
77.31847	0.1
78.01080	0.1
78.12985	0.2
81.03344	1.2
85.02824	23.6
86.09623	100.0
87.04400	0.6
87.09948	1.5
91.03881	1.0
91.26929	0.1
93.18849	0.2
97.02821	6.7
99.04369	1.3
103.03876	0.3
109.02818	1.8
115.03894	0.2
118.73087	0.1
127.03873	6.2
132.10164	33.1
133.06125	0.2
133.10513	0.3
138.19794	0.2
145.04935	10.4
152.05621	1.0
163.05977	5.1
178.87260	0.2
195.75217	0.2
219.06653	0.2
289.09256	0.3
303.50003	0.2
312.86993	0.2
325.11240	3.8
538.27258	0.2
609.40076	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00244	1.2
53.03886	1.1
54.04358	0.6
54.20819	0.5
55.01797	0.7
55.05451	13.1
57.03365	1.8
57.06993	1.5
57.94042	0.6
60.08094	9.2
65.03854	0.6
65.20938	0.8
67.05430	48.4
68.05732	0.6
69.06989	15.2
69.98566	0.6
71.07286	5.8
71.08546	1.1
79.05412	16.5
81.06975	47.2
83.08533	4.6
86.09626	46.5
91.05411	11.2
92.10990	1.3
93.06969	13.3
95.04882	1.5
95.08533	33.3
97.10081	1.4
98.98392	3.5
99.08041	1.6
100.65968	0.7
104.10686	2.8
105.06994	6.6
107.08536	7.5
109.06451	0.9
109.10093	10.7
111.08036	1.1
112.99968	11.2
114.37315	0.7
119.08537	4.3
121.10109	5.3
123.11651	3.1
124.99966	36.7
133.10103	2.8
135.11685	1.7
137.13228	1.0
147.11667	1.5
149.13228	0.9
161.13182	1.1
163.14711	1.0
169.02507	5.3
170.10970	0.9
175.14758	0.9
184.07307	100.0
185.07658	1.2
185.95590	0.6
219.79346	0.7
228.15063	0.8
259.75171	0.7
263.23627	1.6
294.27853	0.8
303.66391	0.7
305.03784	0.8
337.27188	1.4
381.14359	0.7
559.23309	0.8
599.50250	70.3
600.50629	8.8
728.51538	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	730.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	7.9
55.05452	4.4
57.06994	3.1
58.26937	1.9
59.36389	1.6
60.08086	2.6
62.41383	1.7
64.44427	2.0
67.05425	11.6
69.06982	8.3
73.88766	1.8
74.00569	13.0
76.02139	9.0
76.03909	21.6
78.77738	2.1
79.05411	4.4
79.83334	1.8
81.06975	26.7
83.06021	4.4
84.04427	21.2
84.79668	2.1
85.03957	43.3
86.09628	32.9
90.59688	2.3
91.05452	2.3
92.01636	12.0
93.06973	9.7
95.08504	15.7
98.98356	2.1
105.07001	2.9
107.08533	8.5
109.10097	3.7
112.03941	9.7
113.03430	16.0
116.41766	1.8
121.10151	2.4
123.46009	1.8
124.99947	24.9
129.06566	2.5
130.04974	46.5
131.04509	30.6
133.10094	3.8
140.89294	2.3
149.03809	2.9
160.00618	9.0
162.02084	3.4
167.06992	8.5
169.06061	4.5
177.03236	100.0
179.04840	2.5
181.06007	7.9
184.07298	56.7
185.03734	23.8
189.09041	12.0
191.07014	2.6
201.93118	2.3
205.08578	3.0
207.10063	14.7
219.10094	3.3
231.04181	16.4
242.05792	2.1
288.06403	15.5
306.07513	15.9
308.09174	3.6
369.23822	2.7
397.22443	2.2
412.52002	2.1
424.34280	2.4
479.09601	2.2
583.31732	11.1
601.52081	4.6
730.37830	2.7
730.53003	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	730.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	4.0
57.03376	0.5
57.07016	0.8
67.05422	4.8
69.03352	4.6
69.06984	2.6
71.22007	0.5
79.05393	3.2
81.03352	2.2
81.06975	3.4
83.04891	3.7
83.08545	1.0
85.02826	3.5
87.03561	0.6
91.05403	8.5
93.06969	2.5
95.01592	4.1
95.04892	3.0
95.08530	2.2
105.06979	0.8
107.08536	3.4
108.08101	0.6
109.03133	0.6
109.10056	0.9
111.04391	3.7
112.99940	0.5
117.06940	1.2
119.08533	100.0
120.08862	2.7
121.10156	0.6
129.05414	2.5
133.06427	6.3
145.10123	1.3
155.01888	2.3
164.29004	0.6
169.03348	0.9
171.01357	17.8
181.10112	1.0
184.07332	0.9
197.02856	0.8
221.10088	0.6
222.06116	0.5
223.82278	0.6
237.09698	3.0
253.12541	0.7
303.17953	2.8
314.93356	0.6
338.80936	0.6
341.34357	0.6
417.22501	1.0
496.85291	0.7
550.48236	1.1
563.28497	2.4
601.51923	2.2
699.36993	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	730.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	5.1
56.04970	4.0
57.03368	0.8
57.06995	3.0
59.87760	0.5
60.04456	100.0
67.05423	10.3
68.04945	0.6
69.06986	6.3
70.06493	1.1
72.04413	2.2
74.05974	3.2
79.05401	4.9
79.99301	0.5
80.04916	0.7
81.06976	9.4
82.06482	0.8
82.64330	0.6
83.08540	4.3
83.75074	0.6
84.30579	0.5
86.05973	1.1
86.56587	0.5
91.05383	3.3
93.06976	4.1
94.06530	0.7
95.08532	9.1
96.07992	0.6
97.06396	0.7
97.10085	1.1
97.54819	0.5
98.06039	0.6
105.06985	1.2
107.08516	2.7
109.10095	2.6
116.07043	0.6
116.75909	0.5
119.08528	3.6
121.10098	1.3
123.11661	0.7
126.93793	0.5
133.10153	0.8
135.11684	1.0
136.11172	0.7
143.41660	0.6
160.55800	0.6
236.23717	0.6
250.25179	1.0
262.25253	0.8
280.26273	9.1
298.27283	8.8
316.28378	74.5
317.28647	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06691	0.3
53.00254	0.3
55.01804	0.5
55.05457	5.1
56.04974	4.6
57.03363	0.6
57.07009	1.7
58.02892	0.4
60.04454	100.0
66.86819	0.3
67.05428	9.6
68.04939	0.3
68.93246	0.3
69.06983	6.3
69.38606	0.3
70.06510	0.7
71.04923	0.4
71.08558	0.5
72.04437	1.9
74.05991	2.3
79.05412	4.7
80.04928	1.5
81.06974	9.3
82.06496	1.9
83.08545	3.1
84.04441	0.4
90.05467	0.7
91.05396	2.9
93.06956	4.2
94.06483	0.5
95.08526	8.1
96.08013	0.5
97.06489	0.6
97.10114	1.8
101.40539	0.3
104.10287	0.3
105.06986	1.4
107.08551	2.3
108.08077	0.4
109.10104	3.8
109.10751	0.4
116.07037	0.4
119.08543	3.2
121.10109	2.1
123.11672	1.6
125.50044	0.3
133.10106	0.5
135.11684	1.7
187.28070	0.4
250.25304	2.2
262.25262	1.7
280.26297	9.5
298.27304	7.1
316.28387	78.4
317.28638	4.0
510.68018	0.4
518.82751	0.5
721.05829	0.4
722.34998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44963	1.5
53.00229	2.0
54.82641	1.8
54.85822	1.5
55.01807	1.4
55.05449	25.9
57.06742	3.0
57.07012	58.7
64.34441	1.7
67.05428	42.5
69.06985	27.6
71.08189	1.9
71.08545	51.0
73.06455	9.8
79.05397	17.0
81.06973	41.9
83.08544	20.3
85.10104	24.9
86.09637	2.6
87.04378	9.9
89.05952	100.0
91.05406	10.1
93.06977	18.4
95.04882	3.6
95.08538	32.4
96.00935	1.7
97.06461	2.8
97.10085	11.4
98.05974	9.0
105.06960	8.2
107.07018	6.9
107.08517	10.8
109.10093	12.2
111.11655	1.9
112.99954	7.8
117.09091	4.4
119.08521	7.2
121.10105	7.4
123.11671	2.4
133.08578	42.5
133.10143	5.9
135.11615	2.9
145.10083	2.0
147.11746	2.8
149.13181	2.2
156.96387	2.5
169.02582	3.0
176.30513	1.8
177.11179	20.9
184.07260	3.8
205.71516	1.9
222.18555	3.3
253.03401	2.6
282.27924	7.5
296.25833	12.7
299.29391	3.8
306.27884	32.7
307.28067	2.7
313.27322	3.5
320.25848	31.9
322.26956	1.8
343.32129	2.4
345.15259	1.8
345.20306	1.7
472.40759	2.1
503.02863	2.5
600.50421	3.6
601.51630	48.3
602.51831	3.3
619.46173	3.1
713.53107	9.4
730.44092	3.2
730.55438	9.4
731.46106	18.1
745.65021	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	731.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	1.3
60.08085	1.7
65.11821	1.2
67.05418	5.2
69.06969	1.4
71.07281	1.3
71.08562	1.0
79.05405	1.6
80.90121	1.0
81.06966	7.9
83.08509	1.2
86.09631	21.8
93.06989	1.4
95.08530	2.7
98.98438	1.6
109.10062	1.3
124.99978	15.2
143.04012	1.3
184.07312	37.1
185.07700	2.2
208.84389	1.4
377.26538	100.0
377.95340	1.3
378.26724	6.6
407.19055	1.2
589.62195	1.6
601.52124	2.4
602.52258	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	732.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80346	0.1
54.81519	0.1
56.68129	0.1
56.96762	0.1
57.03362	0.2
64.95879	0.1
66.53442	0.1
71.77382	0.1
89.89990	0.1
94.03963	0.2
119.03509	0.2
131.00471	0.1
136.06165	100.0
137.04532	0.4
137.06583	1.2
182.78906	0.1
200.52338	0.1
222.46628	0.1
268.10352	14.1
269.10690	0.4
364.33002	0.1
411.09079	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	732.388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00244	1.9
53.03880	1.3
54.48207	1.0
54.82127	1.3
55.05440	9.2
57.07004	2.6
58.99516	1.8
60.08078	1.5
64.85151	1.1
67.05420	18.6
69.06989	40.6
70.02843	1.3
74.00565	2.5
76.02122	6.4
79.05413	17.3
81.06977	100.0
82.07296	1.5
83.06010	5.7
83.08535	2.0
84.04429	11.2
85.03942	2.2
86.09628	11.8
91.05385	6.7
92.10283	2.5
93.06966	20.3
95.04878	1.8
95.08527	39.7
99.05496	2.7
104.10681	12.3
105.06974	6.5
107.06009	3.0
107.08553	17.9
109.07564	5.0
109.10104	15.2
116.01637	1.6
119.08525	7.1
121.10117	13.0
123.11662	2.9
124.99949	5.8
129.06552	6.4
130.04955	5.5
131.08527	1.8
133.10080	3.2
135.08000	5.5
135.11632	8.9
137.13226	1.5
143.08498	1.4
145.06090	6.6
145.10117	2.5
147.11693	2.1
149.05916	1.8
149.13182	3.0
150.65880	1.3
151.07512	5.9
153.06561	8.1
155.08118	6.2
159.07939	1.6
160.07594	1.8
160.08784	1.7
161.09537	2.0
161.13322	1.3
162.02158	2.0
164.07007	1.7
166.08580	2.3
174.06624	1.8
175.07489	6.2
175.11188	2.1
176.07021	13.5
177.03372	6.4
178.06783	2.9
178.08430	1.3
179.05144	7.6
181.06021	6.8
182.06325	1.9
183.04680	16.0
184.07323	23.6
189.09114	8.3
190.08585	8.8
193.03169	2.7
193.06815	2.9
194.06343	1.6
195.04730	4.8
199.07118	6.8
201.09050	1.6
202.09940	1.9
203.10683	1.7
206.06322	30.2
207.04910	11.8
208.07854	3.3
210.05751	1.7
211.07146	1.6
212.10628	6.1
214.09940	1.7
215.94243	1.3
218.06290	8.1
219.04671	2.2
220.07912	2.3
221.06242	11.9
222.05806	15.9
224.07350	3.1
231.04303	2.2
232.07869	7.2
233.06165	5.7
235.07800	10.1
244.07707	4.5
244.13272	1.8
247.07710	5.0
252.06813	7.1
260.10950	11.9
263.10696	1.4
264.10388	1.8
308.09058	2.0
309.08963	36.5
314.70663	1.3
325.08401	5.5
327.10202	1.5
328.17166	9.8
347.10614	2.4
347.39124	1.4
362.12631	5.8
381.14554	1.7
406.28323	1.6
407.28931	1.8
408.30057	7.4
431.19522	2.6
439.26663	17.6
464.29358	5.3
465.28217	1.9
466.31061	1.7
482.30847	14.9
567.32458	14.1
585.33386	19.2
639.34460	21.2
714.37469	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	732.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82021	0.7
55.05439	5.8
56.04975	7.8
57.07009	4.1
60.04456	100.0
67.05428	7.0
68.45710	0.6
69.06990	6.0
70.06507	1.0
71.08553	2.7
72.04415	0.9
72.81208	0.5
73.51479	0.5
74.05995	0.9
79.05392	2.6
80.19201	0.6
81.06978	5.8
82.06503	1.1
83.04897	0.8
83.08536	3.7
85.10090	0.8
87.96682	0.6
90.05498	0.8
91.05449	0.6
93.06978	1.6
95.08517	6.0
97.06480	0.7
97.10106	1.6
107.08508	0.8
109.10065	1.2
119.08551	0.8
119.64131	0.6
121.10129	0.7
152.59470	0.8
162.01714	0.6
177.61819	0.6
252.26891	1.4
254.28481	1.1
264.26736	2.5
265.25507	0.8
270.27832	4.1
282.27829	13.0
300.28970	11.8
318.29950	72.7
319.30273	3.0
426.14163	0.7
459.48993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09544	1.2
54.82430	0.9
55.05441	6.3
56.04976	8.5
56.37868	1.1
57.07004	4.9
60.04455	100.0
67.05420	2.8
69.06982	7.2
71.08554	2.3
72.04423	1.5
74.05988	1.8
76.56844	1.2
79.05373	2.2
81.06969	5.2
83.08537	2.9
93.06964	1.6
95.08541	6.1
97.10106	2.1
99.36183	1.1
104.10697	1.7
107.08519	1.6
109.10099	1.5
120.08065	1.1
147.00658	1.3
252.26921	2.2
253.37396	1.3
264.26797	1.5
270.27853	2.6
282.27875	14.4
300.28882	13.3
318.29947	76.7
319.30063	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	738.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	13.5
57.07018	25.0
64.77975	1.9
67.05433	26.8
69.06982	14.9
71.08539	14.1
79.05414	3.9
81.06975	24.9
83.08523	5.1
85.10111	4.1
91.05409	2.8
93.06971	9.7
95.08556	19.0
98.05993	14.5
105.06979	3.9
107.08521	3.1
108.54350	1.9
109.10126	5.1
117.06995	2.4
120.96590	15.6
121.10109	3.4
121.87284	2.4
195.00288	14.2
304.26236	24.6
305.26599	3.8
306.27863	50.4
313.27280	30.3
426.23599	5.2
433.23181	100.0
457.23111	4.1
543.00952	2.6
738.49463	32.2
738.96930	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	738.506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03865	0.4
55.01814	0.5
55.05452	11.4
57.03365	0.7
57.07011	3.7
60.03171	0.3
62.06006	0.8
67.05427	24.0
69.06988	12.8
71.08536	2.2
72.04397	0.3
79.05409	7.9
81.06974	21.9
82.06493	0.5
83.08543	4.7
85.05206	4.0
85.10101	0.6
86.05972	1.9
91.05418	3.4
93.06971	8.4
95.04849	0.4
95.07964	0.7
95.08535	15.6
97.10083	1.9
98.05982	21.8
98.06620	0.9
99.19048	0.4
100.89054	0.4
105.07005	1.9
107.08546	4.9
109.10111	5.7
110.09607	0.5
112.07562	3.0
119.08552	1.7
120.96599	2.5
121.10104	3.3
123.11658	1.6
124.07516	1.5
124.11152	0.5
126.09098	0.9
131.08534	0.7
133.10069	0.9
135.11674	1.9
137.13200	0.4
138.09088	0.9
140.10677	1.5
147.11653	0.4
149.13243	0.4
152.10657	0.7
154.12222	1.6
168.13780	0.5
189.16417	0.4
194.15439	0.5
195.00237	1.6
196.16872	0.7
201.75414	0.4
208.16925	0.7
222.18497	0.8
234.18599	0.5
236.19942	0.5
262.21371	0.4
304.26291	40.7
305.26569	0.8
306.27853	100.0
307.28104	3.1
313.27304	3.6
335.25729	2.7
337.27359	3.7
353.26376	0.5
392.27808	0.4
426.23657	0.7
433.23169	12.5
461.18744	0.4
497.11713	0.4
563.95691	0.5
571.35077	0.4
705.47064	0.4
738.52997	3.5
764.68518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19075	0.9
54.82108	1.1
55.05457	20.9
57.03357	1.8
57.07016	2.3
61.02958	0.9
62.06019	1.5
63.71561	1.0
65.00625	0.9
66.07056	1.0
67.05428	45.5
69.06989	18.9
70.06545	1.1
79.05406	15.5
81.06974	34.5
81.56431	1.2
83.08531	7.4
83.82584	1.1
85.05213	6.4
90.51724	1.0
91.05383	9.7
92.10204	4.0
93.06972	13.8
95.04873	1.4
95.08537	25.7
98.05982	30.6
105.06979	6.0
107.08546	7.4
109.10107	9.3
112.07536	4.6
115.67897	1.0
119.08510	2.2
121.10066	4.0
123.11656	2.0
131.08614	2.1
133.10110	2.7
140.10686	1.3
145.10185	1.6
147.11694	1.5
151.50793	1.2
152.10728	2.0
154.12247	1.9
159.11705	1.4
236.05704	1.3
236.14922	2.5
301.61356	1.2
301.64804	1.2
304.26288	100.0
305.26666	4.6
306.27850	90.7
307.28214	2.7
335.25854	7.0
337.27380	10.7
433.23154	5.9
567.83124	1.4
597.48492	11.8
653.98578	1.2
697.74774	1.2
723.58197	1.2
739.48248	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	738.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83325	0.5
53.00234	0.9
55.05445	4.6
56.53411	0.6
57.03362	3.9
57.06733	0.7
57.07012	16.8
67.05431	7.7
69.06980	6.1
71.08544	10.4
74.09631	12.0
75.09941	1.2
79.05414	1.1
81.06986	7.4
83.08530	3.4
83.31750	0.7
84.99722	0.7
85.10113	7.1
87.32902	0.6
89.05924	1.3
91.05382	0.7
92.10905	1.0
93.06983	1.3
95.08523	11.7
97.10075	1.2
98.05967	2.7
105.06979	0.7
109.10117	3.9
120.96584	23.1
175.14464	0.8
176.88451	0.6
176.99203	2.8
195.00252	12.3
203.09900	0.8
241.35742	0.8
257.24637	1.2
274.73941	0.7
304.26300	4.1
306.27859	15.0
313.27286	28.4
314.27771	0.8
328.25970	1.0
353.26447	2.9
402.23398	0.8
415.21927	3.9
426.23727	14.3
433.23178	100.0
434.23438	2.8
457.22968	3.6
694.09009	0.9
738.50854	24.0
739.50800	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03867	0.6
54.81881	0.4
55.01797	1.9
55.05450	14.9
56.04960	0.5
57.03362	1.7
57.07002	2.8
59.10584	0.4
62.06009	1.9
67.05426	36.5
69.06986	12.8
71.08539	0.9
72.04428	0.9
79.05401	10.2
81.06976	29.8
82.06502	0.6
83.08533	5.8
85.05206	4.7
86.05967	2.6
91.05402	6.4
92.10215	1.9
93.06973	10.4
95.04888	1.8
95.08530	23.2
97.10077	1.9
98.05983	31.2
105.06956	2.8
107.08533	6.2
109.06458	0.6
109.10090	7.7
110.09623	1.1
112.07536	3.2
119.08519	2.8
120.96606	0.8
121.10087	3.8
123.11631	1.0
124.07563	1.8
124.11169	1.9
126.09073	1.8
131.08546	1.7
133.10091	1.8
133.70229	0.4
135.11656	2.0
137.13164	0.6
138.09103	0.9
140.10652	2.2
145.10051	0.8
147.11668	0.9
149.13237	1.8
152.10661	0.8
154.12256	1.0
159.11671	0.6
161.13284	0.7
166.12227	1.0
168.13806	2.0
173.13248	0.5
182.15359	0.6
192.49348	0.5
194.15413	0.5
195.00346	0.8
206.15356	0.6
208.16830	1.7
210.18599	0.6
222.18460	0.9
236.20126	0.5
238.06400	0.5
238.21835	0.5
238.24838	0.4
302.30856	0.4
304.26288	89.3
305.26581	4.9
306.27847	100.0
307.28210	4.8
308.29340	1.9
313.27429	1.9
322.27505	0.5
335.25751	2.7
337.27216	4.9
426.24356	0.5
433.23193	7.4
461.91211	0.5
480.80978	0.6
615.89789	0.5
738.50110	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.7
54.35575	0.4
55.01815	1.2
55.05222	0.7
55.05454	12.8
57.03368	1.0
57.07003	3.1
57.61327	0.4
58.06541	0.5
60.05579	0.5
62.06013	0.9
62.90116	0.4
63.50904	0.5
65.03857	0.7
67.05081	0.9
67.05429	26.2
69.06992	13.7
71.08567	0.7
72.04433	0.5
79.05405	9.3
81.06973	23.3
81.54105	0.4
83.08526	4.3
85.05238	4.0
86.05986	0.8
91.05404	4.4
93.06969	10.3
95.04872	0.8
95.08530	16.1
95.09870	0.5
96.08797	0.5
97.10101	2.2
98.05367	1.1
98.05983	27.5
98.09592	0.6
99.06814	0.6
102.06586	0.7
105.06979	3.4
107.08540	5.3
109.10087	6.0
110.09626	0.7
112.07545	4.0
119.08520	2.3
121.10085	3.0
123.11649	1.0
124.11220	0.6
126.09069	0.6
133.10126	1.1
135.11674	2.4
136.14287	0.5
136.17758	0.5
138.12758	0.6
140.10730	0.8
149.13202	0.6
152.10654	0.6
154.12286	0.7
180.13724	0.6
181.61552	0.5
182.15314	0.9
183.27046	0.5
196.16898	1.0
196.49223	0.5
208.16939	1.9
211.73653	0.6
222.18477	1.0
236.14835	1.1
236.20073	0.8
248.19966	0.6
271.27682	0.5
304.26300	100.0
305.26590	3.7
306.27847	71.4
307.28143	2.4
313.27289	0.9
314.34094	0.7
335.25638	2.2
337.27286	3.0
405.57675	0.6
433.23114	2.9
597.48688	2.1
738.49908	0.8
738.62103	0.7
763.02234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.5223
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
53.00239	0.3
53.03875	0.1
55.01816	0.8
55.05455	8.1
56.04970	0.2
56.05756	0.1
57.03378	0.7
57.07011	1.5
58.06540	0.1
59.63369	0.1
62.06023	0.7
62.81654	0.1
64.70862	0.1
65.03853	0.2
67.05429	10.9
68.04948	0.1
68.05753	0.1
69.03333	0.1
69.06989	8.7
70.02860	0.1
70.06513	0.1
70.07308	0.1
71.08544	0.6
72.04436	0.3
72.08038	0.1
79.05413	2.5
80.04900	0.1
81.06977	9.4
82.06490	0.2
82.07283	0.1
83.04901	0.3
83.08089	0.1
83.08543	2.6
84.04411	0.1
84.08061	0.1
85.05206	2.4
85.10096	0.1
86.05991	1.0
86.09631	0.1
91.05408	1.1
93.06974	2.4
94.06490	0.1
95.04880	0.2
95.08531	6.7
96.08058	0.3
96.08869	0.1
97.06459	0.3
97.10098	1.1
98.05987	13.9
98.09617	0.1
99.06780	0.3
105.06964	0.9
107.08552	1.1
108.08072	0.2
109.06468	0.1
109.10119	2.4
110.09682	0.6
111.07994	0.1
111.11628	0.1
112.07564	1.7
119.08523	0.9
120.96587	0.6
121.10100	0.6
122.09595	0.4
123.11672	0.5
124.07552	0.3
124.11200	0.4
125.08318	0.1
126.09129	0.7
133.10059	0.6
134.09636	0.1
135.11638	0.3
137.13217	0.1
138.09129	0.5
138.12737	0.1
138.60121	0.1
140.10648	0.7
147.11668	0.4
149.13313	0.1
152.10664	0.3
154.12276	0.8
158.82037	0.1
161.13205	0.1
166.12207	0.2
168.13795	0.5
172.97449	0.1
176.99553	0.1
177.16444	0.1
180.13832	0.2
182.15422	0.5
186.15135	0.1
194.15353	0.5
195.00301	0.3
196.16925	0.8
208.16953	0.9
210.18422	0.1
222.18483	0.8
224.20055	0.1
236.20030	0.6
238.21582	0.3
250.21605	0.3
252.23161	0.1
264.23178	0.1
281.57617	0.1
304.26328	0.7
305.26712	0.3
306.27859	100.0
307.28189	6.2
308.29443	1.1
313.27307	0.4
314.27667	0.4
315.27960	0.1
324.28903	0.6
337.27301	4.0
338.27710	0.1
357.99149	0.1
416.22461	0.1
428.24597	0.1
433.23096	1.6
434.23569	0.9
435.23453	0.3
473.31375	0.1
533.77972	0.1
579.52777	0.1
618.20245	0.1
650.29895	0.1
739.50665	0.1
740.51404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00253	0.2
53.03880	0.2
54.81897	0.2
55.01807	0.4
55.05186	0.3
55.05450	8.3
57.03369	0.4
57.07002	1.0
62.06011	0.8
64.84003	0.2
65.03841	0.2
67.05425	10.3
69.06985	8.2
70.06509	0.1
71.08538	0.2
72.04427	0.3
79.05420	2.5
81.06976	9.3
82.06486	0.3
82.08079	0.2
83.08537	2.8
85.05205	2.2
86.05971	0.8
91.05402	1.1
93.06965	2.0
95.08529	5.9
96.08096	0.2
97.06441	0.2
97.10105	1.1
98.05981	13.1
99.06801	0.2
105.06976	1.0
107.08533	1.0
108.08039	0.2
109.10099	2.4
110.09641	0.4
112.07549	1.9
119.08537	0.8
121.10094	0.8
123.11639	0.8
124.07530	0.2
125.08349	0.2
125.90478	0.2
126.09131	0.3
133.10101	0.3
135.11696	0.2
138.09131	0.4
140.10690	0.8
147.11661	0.4
147.60954	0.2
154.12221	0.4
166.12331	0.2
168.13904	0.3
182.15410	0.3
187.60918	0.2
194.15509	0.2
196.16966	0.2
208.16982	0.9
210.18300	0.2
222.18521	0.9
236.19991	0.4
306.27850	100.0
307.28165	7.0
308.29315	0.2
324.28943	0.4
337.27274	5.7
338.27350	0.3
577.99854	0.2
590.87390	0.2
683.74854	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81411	0.2
55.01818	0.4
55.55181	0.2
58.31932	0.1
61.02848	0.2
63.02293	0.4
67.05404	0.2
70.06508	2.3
70.80894	0.2
75.65582	0.2
78.04630	0.3
79.05412	0.2
81.03349	0.3
83.03699	0.2
83.97446	0.2
84.04428	0.4
84.08060	0.2
85.02829	0.8
86.09637	0.3
89.03838	10.8
90.02341	0.2
91.05399	1.1
92.10528	0.7
95.04916	0.3
97.02818	0.2
103.05408	0.9
106.02860	0.2
106.04121	0.4
107.04900	0.7
110.07127	1.0
111.04379	0.2
115.05465	0.2
117.03329	36.0
118.03674	0.7
119.04913	1.3
121.02816	6.0
122.03215	0.2
124.05173	0.3
129.10191	0.2
131.04874	1.1
134.03584	1.9
135.04398	3.0
137.05965	0.8
143.04907	0.3
145.02827	91.1
146.03140	2.1
149.05968	12.8
151.03925	0.4
159.04347	1.1
160.05174	0.7
161.02197	0.2
162.03017	0.3
163.03897	1.3
173.05978	0.2
175.03844	0.8
175.07503	0.8
177.05435	100.0
178.05769	3.1
183.02884	0.3
186.05444	1.1
187.03883	0.4
187.07605	0.4
189.01796	1.0
189.05377	0.9
191.03336	0.4
191.06979	0.3
195.02887	0.7
199.07513	0.2
201.05406	1.0
203.03317	1.3
205.04916	1.2
207.02858	1.1
213.01720	0.2
215.03294	0.7
215.06937	0.4
217.04936	0.4
219.02876	0.4
219.06445	1.1
221.04442	0.7
227.03424	0.3
229.04745	0.3
231.02812	0.3
231.06514	0.2
233.04358	0.7
233.08026	0.7
243.06364	0.2
245.04547	0.2
261.07605	0.3
265.04861	0.2
267.06451	0.4
271.05984	1.9
279.06464	0.3
281.07910	0.7
283.05975	3.6
293.07980	0.4
294.05173	2.2
295.05954	5.2
296.06393	0.3
297.07458	0.4
301.07077	0.2
307.05960	5.3
308.06622	2.1
309.04282	0.3
309.07471	2.4
313.07040	2.9
319.05936	1.0
320.06592	0.8
321.07336	4.3
322.08115	0.4
323.05298	0.3
323.09024	0.4
325.07071	3.6
329.07910	0.3
331.05920	0.3
333.07486	2.6
334.08017	0.4
335.05524	0.2
335.09079	1.9
336.06155	0.3
337.06995	6.3
339.06998	0.3
339.10760	7.0
340.10660	0.3
345.07480	1.6
347.05252	0.3
347.09100	0.3
349.07004	3.9
350.07278	0.3
351.08578	2.2
355.08127	0.4
361.06982	2.5
362.07217	0.4
363.08569	2.0
367.08130	2.3
373.06888	1.3
375.08417	1.1
379.08063	4.4
385.09210	1.9
391.08051	4.5
403.07858	1.2
408.90125	0.3
409.09250	1.5
415.08118	0.3
421.09009	0.4
427.10068	2.1
433.08899	0.2
455.10736	0.9
457.11316	0.3
475.11200	0.2
481.11121	1.1
483.10223	0.3
493.11563	0.3
501.11374	0.9
511.12195	0.8
513.11603	0.3
529.13080	0.8
531.12476	0.8
537.11938	0.3
547.13562	0.9
555.12683	1.7
567.11945	0.7
585.13983	3.4
599.58728	0.2
603.14575	2.0
604.14905	0.3
609.15521	0.2
621.07178	0.3
621.15955	5.2
622.15961	0.7
623.32593	0.3
633.15601	0.7
651.16852	2.7
657.15540	0.3
675.17090	7.5
676.16705	0.8
687.16595	0.8
705.17932	4.4
706.17932	0.3
723.19525	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	741.5497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03900	1.4
55.01818	1.8
55.05447	19.7
56.04971	9.2
59.49290	1.4
60.04457	2.6
67.05426	1.7
69.03352	1.9
69.06985	2.2
70.06509	100.0
71.06853	6.1
72.08063	10.9
73.02830	1.4
74.05981	3.2
81.03325	1.8
82.06521	2.2
83.04904	2.1
83.06033	8.0
83.08540	13.2
84.04431	31.2
84.08067	21.3
84.15099	1.3
85.02827	6.2
85.04787	1.4
86.05962	1.9
86.09630	12.5
89.03833	8.6
91.05386	3.1
93.04453	1.5
95.06018	1.5
97.02801	2.5
98.09573	1.4
100.07552	6.4
100.11187	74.4
101.07093	8.2
102.05469	2.1
106.02864	2.9
110.07111	32.2
111.04399	7.9
112.07536	3.2
112.08685	2.2
115.08650	6.7
115.88956	1.3
116.07050	3.2
117.03313	25.3
118.03644	2.4
118.08637	1.9
119.04925	2.8
119.08565	1.8
120.08057	7.0
121.02838	5.4
122.07140	2.1
124.03911	9.5
126.09207	2.1
126.53363	1.4
127.08675	1.8
127.13175	1.4
128.07042	2.5
129.06631	2.2
129.10213	8.4
134.03583	1.5
135.04437	1.8
136.07588	6.3
137.06024	1.4
139.08664	2.2
140.07080	2.6
145.01707	3.2
145.02831	65.8
145.03963	2.6
145.63831	1.3
146.03169	2.5
149.05991	10.3
155.07022	7.5
155.08148	2.0
159.33817	1.5
164.07645	1.6
175.03937	2.6
177.05432	66.6
177.06880	3.0
178.05823	3.7
182.15359	25.0
182.16693	1.7
203.10388	1.4
207.06554	1.8
209.16409	18.5
210.14850	31.8
210.16661	1.4
226.19173	3.6
227.17590	2.1
228.15976	1.5
254.17670	1.9
268.08206	2.9
271.06006	7.6
289.21185	1.6
295.05981	3.0
307.06039	2.8
308.06735	1.6
321.07529	1.8
326.28036	2.7
337.07071	2.2
339.10742	5.9
343.30707	2.2
345.07535	2.0
379.08295	2.2
453.33997	2.0
556.64105	1.7
604.53589	1.8
651.17694	2.0
686.60022	2.1
705.17468	2.3
741.54700	78.0
742.54797	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	742.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00258	0.6
53.03874	0.4
53.61221	0.3
55.01810	0.8
55.05453	15.0
56.04967	0.4
56.87957	0.3
57.03364	2.0
57.07013	4.0
58.80569	0.3
60.08096	3.0
62.06023	0.4
64.18620	0.3
65.03861	0.3
67.05431	16.1
69.06991	16.0
71.07287	0.7
71.08538	1.3
71.35204	0.4
72.04424	0.6
79.05414	4.8
81.06972	16.4
82.06493	0.4
82.07290	0.6
83.04880	0.4
83.08534	6.2
84.08070	0.3
85.05204	2.4
86.05968	1.5
86.09141	0.6
86.09631	11.7
91.05399	1.7
93.06981	4.9
95.08535	11.7
96.08862	0.5
97.06439	0.4
97.10088	2.8
98.05988	19.2
98.98356	0.7
99.05668	0.4
99.06316	1.4
104.10661	0.5
105.06969	1.5
107.08544	2.4
109.10107	4.0
110.09648	0.8
112.07533	2.9
112.99977	2.6
114.36438	0.4
119.08514	1.4
121.10112	1.9
123.11688	0.7
124.99970	8.7
125.08282	0.4
126.09136	0.7
133.10106	0.8
135.11671	1.5
138.09106	0.4
138.19679	0.4
149.13260	0.5
154.12181	0.7
157.44806	0.3
168.13779	0.5
169.02606	0.5
184.07307	22.6
208.17049	0.4
256.09286	0.4
306.27863	65.0
307.28192	13.8
308.29419	100.0
309.29816	6.4
324.28900	0.4
333.98517	0.4
337.27316	6.1
339.28638	2.8
410.18973	0.4
599.50183	8.5
600.50226	1.7
742.52692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82129	1.2
56.96504	30.1
57.03359	2.2
57.06999	7.5
61.96633	1.2
63.00559	1.2
70.06508	11.8
70.06840	1.4
74.54561	1.4
84.04422	2.1
84.08044	2.5
84.95941	15.0
85.06427	2.7
92.10335	1.3
95.04786	1.3
97.02782	1.8
98.97535	12.0
99.09134	1.4
101.07097	1.2
102.97009	1.9
109.66021	1.3
110.07092	6.2
112.99065	9.4
115.97798	1.3
116.98586	14.9
124.03866	1.2
127.03834	1.5
128.98549	6.5
131.00130	21.1
134.99574	10.0
143.00154	5.5
144.98019	2.3
146.99657	6.3
149.01193	37.9
153.00731	1.5
158.99663	5.5
159.03177	5.4
159.10074	2.2
161.01189	6.6
162.99095	9.4
167.02197	9.9
168.98065	9.3
170.99609	6.0
173.01213	13.3
177.00815	9.7
177.04311	83.1
181.00137	1.7
186.99112	49.9
189.00674	8.3
191.02277	14.3
191.05855	2.7
195.05380	100.0
201.00684	2.8
203.05914	1.6
205.00166	28.6
214.98648	2.4
219.01720	13.1
219.05394	6.5
227.02130	2.7
233.06900	8.9
237.02698	6.6
237.06161	1.7
243.01732	8.3
245.03224	2.8
251.07947	2.6
261.02771	1.8
268.63306	1.4
285.06192	1.6
289.02417	1.7
289.05801	1.9
292.22855	1.5
303.07449	44.8
311.07947	5.7
321.08551	8.2
327.07413	7.5
345.08563	2.5
355.06863	1.7
373.07950	11.3
373.12000	1.5
391.08853	12.9
392.17404	1.4
409.10052	7.4
417.42657	1.5
481.79410	1.4
503.10522	2.4
689.17932	1.7
707.20074	6.0
725.21832	21.1
735.71008	1.4
743.22296	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00480	0.5
55.05441	4.4
57.03394	0.6
57.06999	1.3
60.05581	0.8
60.08094	9.4
65.03825	0.8
67.05428	11.1
69.06998	4.8
69.07289	0.6
71.07301	4.6
76.35480	0.6
79.05408	5.2
81.06980	10.0
82.07273	0.6
83.08528	1.3
86.09629	48.7
90.14771	0.6
91.05408	3.1
93.06970	6.1
93.83521	0.6
95.04938	0.6
95.08542	6.2
97.10086	1.1
98.05969	1.2
98.98380	4.7
104.10681	3.8
105.06965	1.4
107.08548	4.0
109.06416	0.7
109.10104	2.9
112.99948	1.5
114.63112	0.6
115.84547	0.6
119.08584	1.2
121.10104	1.5
124.99964	33.6
133.10060	1.2
165.03371	0.6
169.02640	1.0
184.07310	100.0
185.07515	1.1
288.31775	0.6
296.24158	0.7
306.27795	3.4
307.28198	3.9
308.29086	5.8
309.29526	2.7
337.27411	0.8
597.48822	6.7
600.50714	1.2
601.50934	1.5
744.55170	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	745.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01815	0.5
55.05434	0.3
56.00340	0.2
56.04966	1.4
58.24686	0.3
60.04428	0.3
65.03867	5.5
67.05407	2.0
69.03337	1.7
70.06506	8.5
72.08057	1.6
72.08478	0.3
79.05379	0.3
81.03280	0.3
82.04108	2.5
83.06010	0.4
84.04440	2.8
84.08073	2.5
85.02828	4.6
86.09613	0.7
91.05409	0.5
93.03316	0.5
93.06986	0.3
95.04874	1.5
97.02810	1.3
97.06464	1.9
99.04332	0.4
101.07060	0.6
102.05515	0.4
106.02855	0.6
108.02031	1.2
109.02770	0.5
110.03588	3.3
110.07108	4.4
111.04412	2.5
119.04887	1.3
120.08078	0.5
121.02836	4.1
123.00745	0.3
124.03899	2.3
125.05959	1.6
127.03823	0.3
129.10211	0.6
136.07521	0.5
138.03076	1.9
142.02580	1.8
145.02820	1.6
145.06505	0.4
147.04419	0.4
151.03900	0.4
157.67523	0.3
157.68843	0.4
167.06940	0.3
171.06458	8.5
173.05991	0.3
177.05463	1.6
181.04915	100.0
182.05241	2.0
191.03307	0.3
203.03429	0.7
207.02888	0.5
265.06882	0.3
268.08054	0.3
271.83020	0.3
281.07947	0.5
283.05942	0.5
294.05161	1.7
295.05991	3.8
307.05844	4.2
308.06525	0.7
309.07639	0.4
313.06985	1.4
319.05878	0.5
320.06482	0.5
321.07520	2.1
325.06738	2.8
333.07523	1.8
335.09058	1.6
337.06998	4.0
343.10205	6.3
345.07401	1.4
349.07144	2.7
351.08612	0.5
361.06964	0.7
363.08432	1.2
367.08078	0.6
373.06918	0.7
379.07993	2.7
391.08185	2.7
403.08020	0.5
409.08871	0.7
427.10150	0.6
433.09216	0.5
493.11148	0.3
517.10461	0.4
535.11377	0.4
559.11792	1.7
589.13379	2.3
607.14087	1.6
625.15521	2.7
637.15112	0.4
655.16010	1.4
679.16290	3.6
691.16681	0.4
709.17340	3.1
727.18048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	0.4
55.01814	0.6
56.04974	1.8
56.14896	0.3
57.03380	0.3
60.04453	0.8
64.43041	0.4
65.03870	5.0
67.05421	1.7
69.03361	0.9
69.85851	0.3
70.06140	0.6
70.06516	16.5
71.06859	0.4
72.08070	1.7
74.05999	0.7
79.05385	0.7
81.03343	0.7
82.04119	1.8
83.06025	1.5
84.04426	5.4
84.08076	5.7
85.02821	5.2
86.09619	1.8
86.44024	0.3
91.05405	1.5
93.03332	0.7
93.04470	0.4
95.04885	1.7
97.02821	1.4
97.06454	2.3
98.05968	0.5
101.07086	0.8
102.05443	0.6
106.02841	0.5
106.14920	0.3
108.02040	0.7
110.03633	2.5
110.07135	7.0
111.04429	1.3
111.07464	0.6
112.08657	0.4
113.14212	0.4
115.08659	0.8
119.04910	0.6
120.08115	3.4
121.02806	2.8
124.03893	1.3
125.06000	2.5
127.03857	0.3
129.06593	0.7
129.10194	1.6
136.07585	0.7
138.03134	0.9
142.02620	1.7
145.02802	0.8
145.06549	0.6
147.04427	0.5
153.05478	0.5
159.04306	0.4
159.09172	0.5
171.06497	9.8
173.21857	0.3
175.03839	0.5
177.05458	1.5
181.04933	100.0
182.05261	2.0
188.64511	0.3
203.03413	0.5
204.76036	0.4
205.04808	0.4
207.02765	0.8
221.04520	0.5
223.06018	0.4
223.97725	0.5
233.08138	0.8
261.07639	0.4
268.07883	0.5
283.06009	0.8
294.05197	2.0
295.05899	2.8
297.07483	0.4
307.05899	3.4
308.06808	1.3
309.07541	1.4
321.07498	2.7
322.08286	0.6
325.06790	2.4
333.07654	1.4
335.09152	1.6
337.06995	4.1
343.10190	6.7
345.07452	1.7
349.06961	2.1
351.08774	0.7
355.07367	0.5
361.06848	1.9
363.08615	0.8
367.08203	0.7
373.06866	0.7
375.08374	0.6
379.08063	3.4
385.09241	0.5
391.08188	3.2
403.07895	0.5
409.09070	0.8
427.10422	1.4
433.09171	0.7
511.12326	0.4
540.93951	0.4
559.12347	0.5
589.13123	1.6
607.14435	0.8
625.15088	3.7
655.16260	1.7
679.16644	4.8
691.16522	0.5
709.18140	3.2
727.18060	1.7
732.71014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81614	1.0
55.05436	1.2
57.03370	2.0
57.54403	0.9
67.05359	1.1
69.03345	9.3
83.04893	5.4
83.80331	1.3
85.02806	3.1
87.04425	2.2
91.05402	6.7
105.06986	4.8
107.08535	32.5
111.04424	2.2
117.06928	1.3
119.08530	100.0
120.08826	1.2
129.05428	1.2
133.06465	1.6
135.08014	28.5
151.02026	1.1
160.53690	1.2
164.38013	1.1
178.48129	1.1
219.30051	1.2
281.13684	5.2
332.31525	1.4
415.21085	23.3
416.21310	1.4
437.18933	3.0
473.35120	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	748.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01800	3.6
55.05440	10.7
57.07002	2.3
58.99515	9.8
67.05421	21.5
69.06977	36.9
70.72888	1.7
74.00563	12.5
76.02131	21.7
76.03905	10.4
78.34898	1.9
79.05405	19.5
81.06973	100.0
83.01270	4.1
83.06002	4.3
83.08536	4.3
84.04437	25.4
85.03944	35.8
86.98952	2.9
89.76303	2.0
91.05415	4.7
92.01617	10.5
93.06961	23.4
95.08534	39.2
97.06451	3.5
99.05510	2.7
104.10654	3.0
105.06965	10.1
107.08541	22.9
109.10104	16.9
112.03821	1.9
113.03419	8.3
114.03720	3.0
116.01625	17.4
119.08525	11.8
121.10079	16.7
123.11662	10.6
127.04951	2.4
129.06552	3.0
130.04959	25.3
131.04495	15.3
131.08565	2.8
133.10088	4.0
135.11687	7.9
137.13235	3.5
139.03174	3.0
142.03194	12.1
144.01122	4.7
145.06067	3.5
145.10101	3.2
149.13242	10.3
153.06572	2.4
155.08151	8.2
159.11673	4.0
160.00507	2.9
162.02162	11.2
167.06978	12.3
170.02571	2.0
177.03246	36.5
179.04814	7.6
180.04695	4.1
181.06055	2.2
185.03754	18.7
187.05289	7.1
198.05855	3.4
199.07185	3.7
203.04810	4.6
231.04285	27.0
233.05702	4.1
283.07407	3.7
297.08936	2.3
300.17166	2.1
306.07376	2.4
359.99109	2.1
508.28391	8.3
583.31317	12.0
601.33276	24.6
619.33569	10.0
673.35345	18.0
748.38251	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	748.512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03373	2.2
57.07015	25.8
62.06020	16.6
67.05423	3.0
69.06989	3.3
71.08529	18.7
81.06972	4.6
83.08533	2.6
85.10109	10.3
86.09628	5.5
88.45030	2.1
92.10928	8.2
95.08511	4.4
97.10114	2.7
98.45237	2.2
98.98371	4.5
104.10678	5.3
109.10057	3.5
124.01501	2.5
124.99960	3.9
155.01004	5.5
184.07288	15.0
200.01671	3.2
282.27872	13.4
313.27310	100.0
314.27631	3.0
393.23737	3.6
436.28107	28.3
451.40768	2.4
454.29221	31.6
625.52368	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	750.5634
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06524	1.3
60.08088	10.9
67.05441	1.1
71.07281	4.9
81.06956	1.6
84.85603	1.1
86.09624	51.4
98.98404	4.2
104.10650	4.8
124.99947	30.7
130.86241	1.1
146.98175	1.4
184.07294	100.0
185.07703	1.6
195.18430	1.0
236.14819	4.3
444.09213	1.3
732.57263	1.7
750.56866	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	751.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70704	0.1
65.94900	0.1
69.76937	0.1
70.57961	0.1
82.39589	0.1
91.57505	0.1
92.10194	0.3
108.09138	0.1
119.08495	0.1
152.41978	0.2
157.06256	0.2
225.13805	0.2
239.02766	0.2
243.14409	0.8
247.66179	0.2
261.15482	0.3
303.11868	1.5
337.23389	3.9
355.23209	0.8
437.19275	100.0
438.19580	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	751.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82114	0.3
65.26865	0.3
68.94865	0.4
75.64151	0.4
92.10944	1.4
110.17900	0.4
111.45392	0.4
243.10794	2.3
273.51443	0.4
301.64771	0.4
303.11859	3.1
304.84821	0.5
337.23465	5.2
355.23322	1.5
390.87338	0.5
437.19272	100.0
438.19540	7.9
438.24927	0.6
439.19748	0.5
448.18613	0.4
509.07800	0.5
612.26715	0.4
751.42755	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81998	3.0
55.05441	13.4
67.05418	3.1
67.64857	3.0
69.03343	3.0
69.06988	19.8
70.20621	2.7
74.40408	2.5
79.05379	4.1
81.06973	17.5
83.04926	3.3
83.08545	4.9
85.06477	3.5
86.59732	2.6
91.05397	15.3
93.06969	100.0
95.04902	4.9
95.08555	11.0
97.06468	4.8
105.06947	5.3
107.08547	12.7
109.10113	4.8
111.08029	17.3
119.08553	4.5
121.10094	3.5
123.11648	6.0
135.11694	5.7
149.13234	4.2
203.59863	2.8
209.18997	17.6
289.25180	31.2
303.70044	3.1
307.26288	18.1
419.10321	3.6
541.70190	3.4
665.01459	3.6
763.98584	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	754.499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20523	1.0
53.57634	1.3
55.05444	7.1
57.03365	2.1
57.07014	15.3
59.06104	1.4
65.97228	1.2
67.05427	13.6
69.06981	6.3
71.08556	9.7
71.30162	1.3
73.60855	1.5
79.05400	5.8
81.06980	14.5
83.08532	6.4
83.93285	1.4
85.10078	2.9
88.05003	5.8
91.45454	1.4
93.06963	2.4
95.08527	12.2
97.10113	2.1
98.05943	1.5
105.06991	1.8
107.08520	2.8
109.10101	7.8
117.06995	1.8
120.96584	18.0
138.53172	1.4
142.64471	1.3
160.10773	1.4
176.99213	2.0
180.00659	1.7
195.00252	16.4
234.47183	1.4
239.23540	1.7
276.83817	1.4
304.26196	6.5
306.27783	3.3
313.27313	28.8
314.27570	1.9
320.25833	5.6
344.25330	1.9
353.26547	5.6
385.53574	1.4
415.22098	5.5
419.91846	1.8
424.22009	3.2
433.23175	100.0
434.23560	6.7
449.21790	1.7
452.35376	1.6
595.46875	5.5
736.48724	36.7
737.48657	6.4
753.47485	2.0
754.48828	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	754.538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29357	0.7
55.96047	0.6
55.96332	0.7
58.04997	0.7
60.08101	9.1
60.91579	0.7
67.05437	1.0
69.06959	0.7
71.07289	5.8
74.32878	0.9
86.09628	51.3
92.10913	1.1
98.98395	3.9
104.10682	3.1
124.99963	37.6
144.86603	0.8
145.42166	0.8
184.07306	100.0
289.44022	0.8
390.19223	0.9
552.30109	1.0
555.45856	1.0
563.37592	0.9
601.99762	1.0
754.53021	4.3
755.45734	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	756.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	2.1
56.04966	0.4
57.07012	1.1
57.26645	0.2
58.06520	0.3
60.05600	0.2
60.08099	9.4
67.05430	2.8
69.03335	0.2
69.07000	2.1
70.06522	0.2
71.07294	4.9
71.08545	0.5
72.79378	0.2
79.05415	1.4
81.06968	2.9
83.08551	1.2
85.05138	0.3
85.10114	0.2
86.09630	48.3
87.09949	0.4
90.05497	0.3
91.05383	0.3
92.10948	0.7
93.06991	1.4
95.04860	0.2
95.08541	1.9
97.06461	0.2
97.10119	0.3
97.40558	0.2
98.05979	1.9
98.98401	4.4
104.10677	3.3
105.07007	0.5
107.08532	0.4
109.10117	0.9
119.08546	0.3
120.96514	0.3
121.10124	0.3
123.11665	0.3
124.99969	34.6
143.00995	0.5
145.10104	0.3
168.78693	0.2
184.07312	100.0
185.07649	1.2
195.00250	0.3
208.16777	0.2
221.61304	0.2
304.26108	1.5
306.27884	8.0
307.28360	0.5
307.92319	0.3
308.29388	5.2
320.25748	1.2
322.27335	5.1
337.27338	0.4
433.22995	0.4
434.23273	0.8
613.31909	0.3
629.47351	0.2
686.51593	0.3
738.49005	1.0
756.55621	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	757.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	0.7
55.05453	0.8
56.04973	6.3
60.04457	3.6
61.01053	1.0
65.03866	0.9
67.05402	0.9
67.18027	0.7
69.03329	2.9
69.06985	1.0
70.06136	1.8
70.06509	42.2
70.49020	0.7
71.06837	1.4
71.68111	0.8
72.08076	3.6
74.05993	3.8
77.03827	0.8
78.38821	0.7
79.05416	0.8
81.03331	3.2
81.40391	0.8
83.06013	3.3
84.04417	13.1
84.08068	14.5
85.02830	5.0
86.09632	7.7
87.09914	0.9
91.05406	11.3
95.04880	1.1
97.02803	1.2
98.05987	1.3
99.04385	0.9
101.07074	4.3
101.79173	0.7
102.05453	0.7
104.05177	0.8
105.03328	10.2
105.06954	1.2
106.02872	1.9
107.04926	0.9
109.02832	3.5
110.07117	19.4
112.08694	1.1
113.07070	1.0
114.36595	1.0
115.05419	0.8
115.08661	3.6
119.04891	9.9
119.08520	1.3
120.02008	1.0
120.08067	10.7
121.02837	10.5
121.03671	1.0
121.03945	0.8
122.03642	1.4
124.03919	7.8
129.10217	5.7
130.06491	1.6
132.08089	3.0
133.02820	100.0
134.03195	1.8
135.04419	1.1
136.07536	8.2
140.08203	0.8
145.02818	1.9
147.04382	9.3
150.03127	3.5
151.03880	30.7
156.57108	0.8
159.09164	2.0
160.01596	1.3
161.02309	72.5
161.05930	1.5
163.03847	1.2
165.05446	9.2
167.06900	0.9
175.03844	5.1
178.06114	0.9
181.04890	1.4
191.03395	1.0
193.04933	89.6
194.05307	1.1
195.02907	1.4
203.03308	3.4
205.04965	0.9
207.02872	1.7
217.04968	1.6
221.04434	1.7
234.12111	0.9
268.07782	1.5
271.05850	2.6
281.07993	1.0
283.05887	8.8
284.06622	1.1
287.05414	8.4
294.05197	4.0
295.05997	10.1
297.07480	0.9
307.05981	9.8
308.06610	4.2
309.07605	5.4
313.06876	7.0
319.05795	1.1
321.07516	7.7
322.08075	1.2
325.06937	7.5
333.07507	3.7
335.08969	4.5
337.06873	12.5
345.07315	0.9
347.09167	1.1
349.06998	7.8
351.08502	4.3
355.10333	7.6
360.90311	1.0
361.06937	4.5
363.08560	4.7
367.08029	5.3
373.06763	1.3
379.08035	8.3
385.08896	1.9
386.07983	0.8
391.08047	9.3
409.09164	4.6
427.10144	1.5
475.11292	1.0
481.11267	1.6
499.11722	1.0
529.12286	1.4
547.13849	1.3
571.11975	1.5
601.12769	3.5
619.13885	3.8
637.15582	8.4
658.80011	1.0
667.16150	4.4
691.15973	10.5
703.16638	0.9
721.17517	6.8
739.17902	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	760.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01811	2.7
55.05455	17.1
57.03374	3.7
57.07000	3.6
57.18433	1.9
58.06527	3.8
60.08093	3.0
62.01539	1.9
67.05427	36.4
69.06979	15.2
72.33559	2.1
79.05410	18.2
81.06979	38.4
83.08547	4.4
86.09634	26.1
91.05383	3.7
93.06963	16.2
94.27757	2.1
95.08538	26.0
97.06460	3.4
98.06002	2.4
105.06949	8.7
107.08528	3.7
109.10099	9.4
112.99933	2.4
119.08511	7.0
120.96603	35.3
121.10110	4.5
123.11655	2.8
124.99949	11.9
131.08571	2.9
133.10049	2.2
135.11714	3.0
137.55563	2.7
175.14789	2.1
176.99132	3.1
184.07291	50.0
195.00278	10.5
236.14856	8.1
306.27902	4.5
308.29269	3.0
309.29645	2.5
335.25653	4.6
337.27194	12.0
378.74948	2.4
399.78922	2.7
424.22339	18.3
426.23581	10.6
439.21820	3.3
455.21582	62.2
456.21677	3.2
457.23184	100.0
458.23212	5.4
474.38239	2.9
491.37183	2.5
511.76038	2.5
531.39240	2.9
613.47638	3.4
625.71814	2.7
707.45673	2.9
760.47943	25.7
760.60492	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	760.488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14014	2.3
55.05453	7.0
57.07003	3.6
58.06546	2.6
60.08095	2.6
67.05428	36.4
69.06985	14.7
72.71854	2.5
79.05409	14.1
81.06978	38.5
81.58453	2.8
83.08537	4.6
86.09628	12.9
91.05375	5.1
92.10949	6.5
93.06976	15.1
95.08526	30.3
98.05969	5.6
105.06976	2.9
107.08533	13.8
109.10161	5.2
119.08548	3.8
120.96613	38.7
121.10069	3.4
124.99944	12.0
133.10138	3.0
134.29631	2.6
176.99287	4.0
184.07306	23.7
195.00246	26.0
205.37619	3.0
236.14969	6.2
304.26358	3.5
306.27823	4.7
335.25845	3.6
337.27216	13.2
424.21902	5.8
426.23587	5.7
437.20227	4.0
455.21664	62.0
456.21936	3.3
457.23209	100.0
496.80695	3.5
752.02423	3.3
760.48303	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	0.8
56.04964	4.5
60.04452	1.3
60.61035	0.6
65.03862	1.5
68.04932	1.0
69.03346	3.2
69.06966	0.9
70.06510	41.4
71.06828	1.0
71.55984	0.6
72.08067	4.8
73.02795	0.7
74.05963	1.1
81.03339	5.3
81.24965	0.8
83.06010	4.3
84.04436	17.6
84.08072	12.8
85.02805	4.1
85.04723	0.9
86.05963	0.9
86.09624	8.4
88.03902	0.7
91.05405	35.0
95.04900	0.9
96.04370	1.0
98.06007	1.0
101.07057	3.7
102.05424	0.7
106.02852	1.0
109.02832	1.2
110.07134	15.8
112.08649	1.1
115.08628	4.0
118.30428	0.9
119.04901	43.8
120.08052	8.9
124.03907	4.7
129.06566	1.7
129.10184	5.6
130.04982	1.0
136.07541	4.7
139.95566	0.7
145.02843	1.4
147.03224	1.2
147.04395	33.7
149.02283	1.1
157.03983	1.7
166.07150	0.9
175.03877	54.0
177.05396	1.1
179.07004	2.9
181.04858	1.2
204.08820	6.5
207.04536	1.3
207.06500	46.6
216.08777	100.0
217.09225	1.6
218.10283	4.3
225.06369	8.9
226.07196	2.9
226.11795	0.9
230.10294	10.8
234.19310	0.8
240.08739	66.8
241.09251	4.1
246.09770	4.2
249.11475	0.8
258.09592	1.1
268.08234	7.8
270.28116	0.7
272.11371	4.4
300.10880	45.0
301.10974	1.0
307.35004	0.9
311.08640	1.2
333.12750	1.7
343.11340	0.9
351.10773	3.0
361.12350	4.0
369.11743	3.1
375.14044	3.7
393.15094	59.8
394.15302	1.3
432.18561	0.8
515.89899	0.8
750.05383	0.8
760.52332	1.3
761.25690	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	762.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00205	0.4
53.03835	0.4
54.81694	0.3
55.01756	0.3
55.05372	6.6
55.05665	1.2
57.03295	2.3
57.06928	3.2
59.06009	0.6
60.05513	0.5
60.92841	0.3
64.93984	0.3
67.05344	14.3
67.05750	1.7
69.06902	8.3
71.08472	1.6
71.08812	0.4
71.69846	0.3
79.05317	5.4
81.06886	16.6
81.07396	1.2
81.07648	0.5
83.04817	0.5
83.08445	5.1
85.10017	0.6
86.09561	0.5
90.15662	0.3
91.05410	3.0
93.06873	6.3
94.07178	0.3
95.04819	0.5
95.08537	13.4
95.09083	0.8
97.06376	0.5
97.10005	2.1
98.05987	4.5
105.06976	2.4
107.08553	4.1
109.10102	4.6
111.07938	0.6
113.99087	0.4
119.08448	1.7
120.96593	18.6
121.10007	2.2
123.11578	0.8
124.93724	3.7
133.09967	1.7
135.11545	1.6
137.13087	0.5
142.94762	0.7
147.11566	0.5
149.13127	0.5
161.13152	0.7
176.99181	2.5
184.07176	0.5
194.98611	0.5
195.00259	11.4
196.16974	0.4
267.84314	0.4
282.27802	0.5
306.27856	29.5
307.28149	11.1
308.29016	0.4
309.29575	0.6
310.03812	0.4
313.27237	2.3
324.45892	0.3
337.27304	14.1
338.27808	1.4
359.25494	2.3
377.26501	2.6
426.23703	9.9
437.20459	1.8
438.20676	2.5
439.21884	5.1
457.23181	100.0
458.23560	5.3
573.48761	4.7
761.48718	2.9
762.50171	20.1
763.50708	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	765.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	10.0
57.07005	3.6
62.33992	1.9
63.14682	2.0
65.03847	2.5
67.05422	34.9
69.06960	9.8
71.08510	3.3
79.05399	12.9
81.06970	27.2
83.08533	4.6
91.01356	2.2
91.05366	9.8
93.06972	9.4
95.04864	2.8
95.08531	19.2
95.13755	2.1
96.69315	2.4
105.06943	5.0
109.10114	5.4
119.08542	2.8
120.96619	2.7
127.66004	2.2
134.98140	20.8
187.46661	2.4
187.61761	2.3
236.14964	4.5
281.42664	2.6
457.23132	10.6
459.24533	5.2
497.96393	2.8
635.46179	24.5
636.46869	2.9
653.37079	3.8
653.47382	100.0
654.47278	12.2
747.45471	18.9
765.46344	66.3
766.46777	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	765.467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82392	2.7
55.05441	10.9
58.06542	2.5
67.05431	19.7
69.06975	5.5
71.08556	4.2
73.13197	2.7
74.06548	2.3
79.05398	13.7
81.06968	19.1
83.08541	4.5
85.41741	2.3
91.05380	5.5
92.65391	2.7
93.06963	5.8
95.08530	13.5
105.06982	5.0
107.08510	2.9
109.10101	5.1
115.63644	2.5
119.08463	3.0
133.10114	3.4
134.98117	21.3
262.08231	2.5
514.28247	2.9
635.46387	20.6
653.36945	4.4
653.47363	100.0
654.47797	5.9
702.68121	3.8
747.45160	17.1
765.46063	57.1
766.45758	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	767.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96241	1.4
56.96503	28.8
60.03499	0.9
63.68909	0.8
71.95177	1.1
72.95944	1.4
92.10934	1.3
119.08468	1.1
141.02032	0.8
146.99536	1.0
147.85010	0.9
161.01184	6.2
190.07597	1.0
205.07451	5.3
223.08278	2.0
223.10127	3.9
231.08972	1.7
236.48555	1.0
239.09476	1.2
241.11069	46.0
242.11295	1.1
257.10547	4.6
259.12134	100.0
260.12473	4.7
264.12595	1.3
270.40451	1.1
282.13678	3.5
335.18759	5.4
353.19897	35.6
354.20062	1.7
371.21011	44.3
372.21207	1.5
378.13437	1.1
389.21964	3.6
394.22388	4.3
400.89294	1.1
437.19925	0.9
453.16739	15.0
745.68927	1.1
753.47406	1.0
767.40350	39.3
768.39697	4.4
772.21991	1.1
780.45184	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01806	2.0
55.05438	2.5
55.19993	1.1
67.05406	2.0
69.06980	5.2
72.08068	1.1
79.05380	9.5
81.06497	1.7
81.06969	28.7
83.08525	2.1
85.02824	2.0
93.06975	2.8
95.04891	31.2
95.08536	6.2
97.10055	1.6
105.06969	2.5
107.08549	2.1
109.02797	1.5
109.06461	100.0
109.10091	7.1
111.04428	2.0
111.08033	14.4
121.06499	1.2
121.10058	6.0
123.11626	1.8
127.03910	2.5
137.09564	1.3
152.12852	1.1
165.08975	1.4
173.97725	1.2
175.11148	1.5
190.76373	1.2
209.18884	2.5
287.23401	1.2
305.24680	34.9
323.25684	5.8
340.30020	1.5
365.26593	5.5
397.89450	1.3
449.28915	5.3
467.30023	5.4
485.30750	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	771.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	1.1
57.03357	0.2
65.03854	2.3
67.05464	0.2
69.03359	0.3
70.06506	1.1
71.60754	0.2
74.19625	0.2
76.03087	0.3
77.03828	0.8
81.03352	0.3
84.04453	0.3
84.88457	0.2
85.02808	0.6
89.03844	1.1
91.05402	44.2
92.05720	0.5
93.03337	0.4
95.04884	0.6
97.02840	0.3
103.05404	2.3
105.03300	0.5
105.06958	0.4
107.04889	1.3
109.02860	0.3
115.05382	1.2
117.06981	2.0
118.04054	0.9
119.04890	70.5
120.05201	1.3
121.02816	8.6
122.03660	0.4
129.03316	1.2
131.04889	0.9
132.02007	2.3
133.02849	1.2
133.06476	1.3
135.04373	1.2
136.05199	0.5
143.04898	0.4
145.02783	2.5
145.06477	4.1
147.04381	62.4
148.04785	1.1
149.02328	1.5
149.05983	0.3
155.06000	0.3
157.02737	0.4
157.03929	4.8
159.04408	0.9
160.01579	0.3
161.05971	1.7
162.03069	0.4
163.03870	0.4
164.04602	1.5
165.01822	1.2
167.07007	1.1
173.05927	1.4
174.03065	0.4
175.03864	96.9
176.04207	2.9
179.06961	4.8
181.04918	1.0
183.02959	0.5
185.05954	0.3
187.03885	0.6
189.01828	1.3
189.05391	2.4
191.03366	1.3
191.07060	0.4
192.04115	1.1
193.08522	0.3
195.02858	1.3
197.06001	0.3
199.03917	0.3
199.07507	0.3
201.05443	0.3
203.03401	2.5
205.04912	1.3
207.06483	100.0
208.06775	4.0
215.03355	0.5
217.04871	2.9
219.02824	0.4
219.06535	1.6
219.98801	0.2
221.04289	0.6
227.03337	0.4
229.04839	0.3
231.06438	1.4
233.04433	0.5
235.05971	1.7
245.04501	0.3
245.07864	0.3
249.07526	3.4
257.04376	0.4
258.05307	1.0
267.06485	0.5
271.05945	0.3
273.07608	0.3
279.06406	0.6
281.07977	1.1
283.05936	10.0
284.06683	0.6
286.04596	4.4
291.08722	0.4
293.07935	0.5
294.05273	2.0
295.05927	8.9
297.07544	0.5
300.61554	0.3
301.06982	10.4
302.07431	0.3
307.02524	0.6
307.05908	8.9
307.09451	0.4
308.06506	2.4
309.07465	3.9
313.07004	5.8
315.08429	0.4
317.07993	0.4
319.05884	1.3
320.06686	0.6
321.03940	0.5
321.07489	7.5
322.08063	1.3
323.08960	0.5
325.07062	4.4
329.08093	0.6
333.07193	3.1
334.08157	0.5
335.09042	2.6
336.06079	0.4
337.06989	10.3
338.07486	0.4
339.08484	0.5
345.07660	1.9
347.08957	0.6
349.06985	7.4
350.07358	0.6
351.08594	1.9
355.08139	0.4
359.09109	0.3
361.07065	3.6
363.08563	2.5
367.08041	4.8
369.11710	8.9
370.12140	0.6
373.06866	2.0
375.08447	0.6
379.08060	5.6
385.08987	2.8
391.07950	5.9
403.07971	1.7
405.09863	0.4
409.09152	1.7
415.07974	0.5
427.10132	2.7
433.09048	1.1
445.09113	0.4
457.10965	0.5
463.12347	1.9
475.11853	0.5
481.10941	1.3
499.12430	0.4
511.12241	1.4
513.11755	0.4
529.13135	1.7
531.12451	1.4
543.12604	1.2
547.14014	0.4
561.13153	0.9
571.74567	0.3
585.13824	2.2
615.14990	3.3
633.15875	2.8
634.15936	0.4
639.16382	0.5
651.17010	7.9
652.16858	1.1
663.16467	0.6
681.18005	4.3
682.17926	0.3
705.06403	0.4
705.17987	11.0
706.18329	1.8
717.17236	1.2
735.18933	5.2
736.19061	1.0
753.20044	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81861	2.2
55.05445	2.8
56.04971	4.8
57.44981	1.7
60.04455	2.0
65.03854	2.5
69.03343	2.5
70.06504	52.4
70.39335	1.9
71.06813	2.1
72.08076	4.7
73.28339	2.1
81.03323	2.6
81.06966	2.8
83.06007	2.8
84.04432	22.7
84.04864	2.0
84.08064	16.6
85.02843	2.7
86.08054	2.2
86.09630	9.4
91.05396	55.8
98.52297	2.3
103.05418	3.1
106.02821	2.2
110.07097	11.1
119.04887	86.9
120.08037	10.8
121.02850	5.2
124.03914	9.6
129.10185	5.2
136.07570	4.0
145.02872	3.0
147.04387	77.2
157.03960	4.4
160.32994	2.4
163.03857	2.6
175.03873	100.0
179.06981	4.9
203.03430	3.5
207.04547	4.1
207.06488	98.2
217.04726	2.5
249.07375	3.8
283.05960	10.3
295.05936	13.7
307.05893	14.5
309.07709	3.7
313.07056	4.2
321.07495	4.9
325.07010	11.1
333.07294	8.8
337.07080	21.4
349.07016	4.0
351.08658	2.8
361.06998	2.7
369.11945	4.2
379.08133	4.3
569.52173	2.7
651.16516	10.6
681.18481	4.3
705.17822	10.0
735.18591	3.2
753.19537	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	771.5648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	0.5
55.05453	9.4
57.03377	1.0
57.07002	1.3
59.06042	0.2
60.05576	1.3
60.08112	0.7
61.71488	0.2
62.05998	0.3
64.33439	0.3
65.03873	0.3
66.68954	0.2
67.05433	11.5
69.06991	10.4
79.05402	2.3
81.06978	11.5
83.08543	3.4
85.05211	2.3
86.05981	1.1
86.09630	4.5
91.05408	1.3
92.10230	0.5
93.06978	2.9
95.04898	0.4
95.08543	7.5
97.06477	0.4
97.10110	1.6
98.05989	14.6
104.10676	0.3
105.06969	1.4
107.08562	1.8
109.10115	3.1
110.09625	0.4
112.07550	1.9
119.08517	1.0
121.10088	0.5
123.11676	0.3
124.99971	2.7
126.09112	0.4
135.11642	0.3
137.78493	0.3
138.09065	0.4
140.10710	0.5
154.12244	1.2
157.79163	0.3
168.13766	0.8
184.07314	8.2
185.07681	0.3
194.15427	0.4
196.17003	1.3
208.16962	1.0
222.18448	0.5
224.19926	0.3
236.20021	0.3
250.21547	0.4
276.54446	0.3
306.27869	100.0
307.28168	5.3
308.29208	0.4
337.27362	6.1
338.27698	0.4
355.09952	0.3
771.53217	0.4
772.54486	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.6454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01810	2.7
55.05452	37.5
57.03380	2.0
57.07006	8.4
59.03673	9.7
64.33590	1.4
67.05431	72.6
69.06988	28.7
71.04893	5.2
71.08559	2.2
72.04111	1.3
72.04437	20.7
72.08047	1.1
74.03345	1.2
79.05407	34.0
81.06976	100.0
83.04897	3.0
83.08543	26.7
85.06468	2.6
86.05991	6.6
91.05405	21.2
93.06973	41.6
95.04874	5.7
95.08536	87.4
97.06466	13.1
97.10085	10.7
98.07249	5.7
100.07536	1.7
105.06960	17.5
107.08537	30.2
109.06469	2.1
109.10105	24.0
111.08025	7.5
114.09132	6.7
117.06979	7.3
119.07787	1.4
119.08559	10.6
121.10101	15.3
123.11652	6.7
128.10666	10.3
131.08534	28.5
133.10118	8.4
135.08011	2.6
135.11690	3.0
145.10091	8.9
147.11667	7.6
149.09549	2.2
149.13237	9.8
151.14780	1.7
156.13849	4.6
157.14272	1.3
163.14783	10.3
173.13229	17.8
175.14803	8.1
180.17459	1.9
181.15883	1.6
184.07381	2.6
191.14265	2.0
193.15825	5.0
209.15442	2.1
209.17705	4.8
211.17062	1.2
226.17990	2.6
228.19534	11.7
306.27881	6.7
308.29486	1.5
320.25793	2.6
336.25351	1.4
613.47937	6.0
618.62347	1.6
716.45178	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	771.6452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30054	0.6
54.81815	0.7
55.01807	4.4
55.05450	66.0
57.03368	1.5
57.07013	12.1
59.03671	4.3
64.43639	0.7
67.05427	72.7
69.03329	1.2
69.06989	40.6
70.06504	0.8
71.04907	3.8
71.08542	6.0
72.04430	9.5
73.78764	0.8
79.05410	28.3
81.06973	92.1
82.07291	1.4
82.88639	0.6
83.04901	4.6
83.08537	51.2
85.06459	6.0
85.10091	0.8
86.05978	3.8
86.09631	3.4
91.05406	17.7
92.11037	0.8
93.06969	36.8
95.04894	4.4
95.08530	100.0
96.08851	1.1
97.06467	12.9
97.10103	26.8
98.07255	1.4
98.10445	0.9
99.08015	3.0
100.07570	1.3
105.06981	10.4
107.08530	25.7
108.08121	0.8
108.23204	0.7
109.06444	1.5
109.10100	37.9
111.08022	10.0
111.11685	1.8
114.09106	4.4
117.06978	3.4
119.08534	11.8
121.10090	17.9
123.08012	3.1
123.11638	6.6
124.99946	1.0
125.09538	1.9
128.10681	4.9
129.09076	1.1
131.08522	14.7
133.10097	11.8
135.11665	4.0
137.09608	1.5
138.17752	0.9
145.10089	3.3
147.11687	7.9
149.13222	5.3
151.14822	2.9
156.13794	1.4
163.14790	13.3
166.62939	0.7
173.13228	11.4
175.14787	15.5
180.17363	1.1
181.15791	7.5
184.07230	6.3
191.14256	1.8
193.15846	10.7
198.18521	1.1
209.15462	1.2
209.17659	1.8
211.16864	2.6
226.17973	1.7
228.19511	9.8
229.17873	1.3
244.18983	1.2
245.17384	4.3
254.49907	0.7
306.27890	3.6
320.25763	1.9
321.92343	0.9
446.60883	0.9
491.37158	1.0
583.11914	0.9
599.49719	1.0
613.47955	3.2
749.00336	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	3.6
55.13757	0.9
57.03364	1.0
57.69458	0.9
59.06021	1.0
60.05571	0.9
60.08099	10.3
67.05428	7.3
69.06990	4.2
71.07279	6.1
79.05404	1.0
79.87424	0.9
81.06971	5.0
81.90392	1.0
83.08535	1.2
86.09626	45.8
93.06962	1.9
95.08515	3.5
97.21063	0.9
98.06002	5.6
98.98378	4.0
104.10668	4.1
105.07008	1.2
110.03011	0.9
122.08078	1.2
124.99957	32.8
164.52792	1.0
184.07300	100.0
192.18611	1.0
306.27826	45.4
307.28174	21.3
337.27469	1.7
338.27667	1.1
657.06799	1.3
772.54968	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	772.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	0.3
58.02666	0.3
60.08097	9.6
64.46777	0.3
64.75642	0.3
67.05424	0.3
71.07294	4.7
76.86777	0.3
79.15557	0.2
81.06926	0.4
85.76093	0.3
86.09628	49.2
87.09970	0.4
91.74322	0.3
93.06965	0.4
93.58907	0.3
98.98394	4.1
104.10691	3.0
106.09863	0.3
124.99963	35.4
143.00987	0.4
146.35791	0.3
163.81184	0.3
166.27731	0.3
184.07309	100.0
185.07579	0.7
260.91992	0.4
380.95355	0.3
381.09393	0.3
532.45740	0.3
740.18115	0.3
754.55212	0.3
772.54602	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	774.564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81535	0.1
55.05461	0.2
56.04971	0.7
58.06533	0.2
60.08095	9.0
63.58506	0.1
67.05428	0.3
69.07003	0.2
71.07289	4.4
71.07662	0.2
81.06979	0.2
85.10052	0.2
86.09628	47.3
87.09959	0.8
92.10938	0.3
95.08547	0.2
98.98397	3.9
104.10682	3.1
105.06970	0.1
121.90838	0.1
124.99961	34.7
126.00268	0.2
143.01035	0.8
184.07309	100.0
185.07616	1.4
756.55255	7.2
757.54999	1.1
774.56628	1.5
775.55933	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04972	0.4
57.07014	0.2
60.08097	10.8
67.05430	0.3
71.07289	4.9
81.06956	0.4
86.09627	50.7
87.10004	0.3
91.05397	0.3
98.98386	3.8
104.10683	4.1
122.09614	1.6
124.99960	37.8
143.01024	1.0
176.44768	0.2
184.07306	100.0
185.07608	1.3
205.95740	0.3
299.11746	0.2
306.27847	0.3
468.10342	0.3
522.96973	0.3
756.54279	1.1
774.56256	10.3
775.56238	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04967	0.8
58.06544	0.3
59.86021	0.1
60.08097	8.8
64.33529	0.2
67.05420	0.2
71.06931	0.3
71.07288	4.7
83.08560	0.2
86.09628	47.5
87.09953	1.0
98.98402	4.3
104.10675	2.6
113.48993	0.2
124.99966	32.4
129.57582	0.2
134.03172	0.2
143.01025	0.4
160.21516	0.2
184.07310	100.0
185.07761	1.3
233.01418	0.2
566.81506	0.2
774.42798	0.3
774.56268	7.8
775.55664	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	4.9
57.07014	63.6
67.05424	9.7
69.06979	9.6
71.08549	40.9
73.02821	2.0
73.06496	7.3
78.28526	1.9
79.05406	3.9
81.06985	10.5
83.08539	9.5
85.02777	1.9
85.10118	18.9
86.09631	9.1
87.04410	9.2
89.05959	100.0
90.06285	2.8
91.05363	2.1
93.06974	3.5
95.04874	2.0
95.08554	10.6
97.10078	3.3
98.05993	2.2
101.80904	2.1
105.06969	3.5
107.07049	3.9
107.08636	2.7
117.09116	3.4
119.08508	3.1
120.01117	2.3
121.04390	2.0
124.66874	2.1
130.08656	2.8
133.08574	32.4
152.39986	2.4
161.11708	2.2
166.85486	2.1
177.11186	13.1
184.07321	18.7
221.13762	3.2
245.16057	2.3
283.17441	2.2
298.40848	2.1
299.29480	8.4
306.27869	4.6
308.29395	2.6
343.32025	4.0
379.77100	2.3
383.80954	2.3
652.44690	2.5
757.56519	4.4
774.58514	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	775.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45792	4.9
56.04943	4.9
56.96498	51.1
66.58865	3.3
67.05396	4.5
79.05416	4.7
81.06967	4.5
84.95954	5.5
86.09644	6.5
92.15388	4.5
98.97501	61.5
104.10665	27.4
110.97523	5.4
112.99052	8.7
116.98557	74.1
128.98550	28.1
129.10139	5.6
131.00137	47.8
134.99649	52.9
143.00156	17.1
146.99599	48.7
149.01181	100.0
153.00734	5.5
158.99629	47.8
161.01173	42.4
165.00621	9.1
167.02208	32.6
170.99600	40.1
172.02751	5.5
173.01143	6.8
177.00661	85.3
185.01147	5.0
189.00687	94.5
191.02260	16.3
193.79684	4.6
195.01695	9.8
199.02838	6.4
201.00719	9.3
203.02182	14.7
207.01843	8.0
212.48091	3.8
213.00769	5.4
217.03809	6.3
219.01691	31.5
227.02292	4.4
230.99484	4.9
231.01668	7.1
233.03288	6.9
237.02719	19.6
261.02756	23.6
275.04044	5.4
279.03760	43.4
280.26218	24.7
293.05341	56.6
297.04883	19.6
306.27679	13.8
309.04834	6.2
311.06311	21.9
317.17783	36.2
321.04889	68.4
335.18851	24.5
339.06354	5.9
437.09454	21.0
437.19162	9.1
455.10577	50.6
481.36215	4.4
553.27484	4.7
700.76837	4.7
715.32031	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96506	21.6
65.06030	12.0
70.06527	14.5
71.49495	8.8
84.08045	16.4
86.09658	12.6
86.15596	11.9
92.10841	11.3
98.97514	64.0
116.98581	63.8
120.67823	10.5
128.98523	25.3
131.00137	63.3
134.99597	48.9
140.18370	10.3
143.00229	11.4
146.99646	56.4
149.01199	100.0
158.99588	34.3
161.01225	19.4
167.02292	59.6
170.99658	49.3
177.00682	79.4
189.00642	73.9
195.01814	13.8
198.49019	11.2
203.04918	11.8
237.02901	13.1
256.86926	10.3
261.02673	17.6
279.03662	18.6
287.81509	11.6
288.60800	14.5
293.05359	50.7
311.06268	14.7
317.17865	55.6
321.04947	87.3
335.18796	16.3
420.06506	13.4
437.09457	14.1
455.10504	23.5
597.85767	13.3
635.77997	12.0
715.32080	76.7
738.57794	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	775.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81987	2.3
55.05454	16.2
57.03373	3.4
57.07030	3.0
61.02844	10.6
67.05428	23.2
69.03349	9.7
69.06983	14.0
71.04914	2.5
73.02843	3.2
79.05396	17.3
81.03299	3.4
81.06978	24.9
83.08524	5.6
85.02825	11.2
85.81476	2.0
86.09631	4.6
88.01069	2.1
91.03856	3.5
91.05397	19.0
93.06963	17.4
95.08520	18.0
97.02821	12.1
98.05967	2.3
105.06974	14.7
106.59460	2.1
107.08528	8.7
109.10078	5.1
117.06970	4.8
119.08498	15.6
121.10099	8.6
129.06956	5.1
131.08553	12.2
133.10097	5.0
135.11679	3.1
143.08490	4.2
145.10106	14.2
147.11678	3.5
155.08513	3.5
157.10027	4.2
159.11652	5.0
161.13251	4.1
184.07312	8.1
187.14815	8.5
212.37439	2.4
215.17749	2.4
227.17874	2.1
308.29428	17.7
309.29593	10.1
319.90527	2.6
352.52658	2.9
463.75302	2.3
521.43439	2.7
539.43610	2.4
595.47021	3.5
613.48151	100.0
614.48584	5.3
775.53687	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	775.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05459	16.4
56.88195	1.9
57.03369	3.6
57.07005	3.1
57.91254	2.2
61.02856	17.0
63.66530	2.0
67.05429	26.8
69.03345	8.9
69.06975	12.5
73.02829	5.3
77.93861	1.8
79.05416	19.7
81.06991	21.6
83.04900	3.0
83.08539	10.9
83.20898	2.3
84.88206	1.9
85.02828	10.2
85.62727	2.2
86.09610	4.1
91.03878	3.0
91.05408	14.8
93.06973	19.1
95.08524	16.6
97.02825	16.6
101.02278	2.1
101.65833	2.3
105.06978	19.2
107.08544	10.3
109.10114	3.2
117.06950	3.1
119.08544	25.3
121.10078	9.0
123.11699	2.6
124.99937	2.1
129.06978	8.6
131.08519	15.0
132.61850	2.3
132.99796	2.3
133.10107	8.4
135.11620	2.3
143.08488	13.4
145.10104	13.3
146.10422	2.0
147.11699	4.1
152.42458	2.3
157.10136	4.3
159.11690	9.5
161.13185	4.1
169.10063	3.4
175.14717	3.4
182.63203	2.1
184.07310	10.9
187.14735	3.8
199.14847	2.5
201.16377	4.2
213.16284	3.3
215.17946	3.9
227.17938	2.7
234.77092	2.1
308.29443	14.4
311.39725	2.1
326.94318	2.7
488.22607	2.5
505.59503	2.6
521.42950	4.0
595.47546	4.1
613.48218	100.0
614.48523	4.7
764.94659	2.4
775.54004	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	776.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03372	0.4
61.02851	0.5
69.03347	5.2
70.06506	6.1
70.68092	0.4
71.04898	0.5
72.08074	0.5
78.03362	2.5
80.04928	1.7
81.03337	6.6
84.04428	0.8
84.08050	1.5
85.02828	8.3
95.93072	0.3
96.04437	3.4
97.02834	3.6
99.04384	0.9
106.02859	22.7
109.02823	4.5
110.03604	2.1
110.07104	1.4
111.04370	0.5
124.03912	100.0
125.04248	1.4
125.05949	7.9
127.03902	3.3
139.03899	1.4
144.68423	0.4
153.05450	13.4
154.06221	5.2
161.72847	0.4
170.05684	0.6
185.08047	9.9
207.42848	0.4
232.05936	0.7
250.07065	4.9
268.08105	40.4
269.08405	1.3
286.09134	2.8
430.13464	11.1
431.13492	0.6
592.18549	0.8
614.20575	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	776.5791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05434	0.2
55.57560	0.1
56.04957	0.7
57.04320	0.1
57.07002	0.2
58.06524	0.3
60.05584	0.2
60.08096	8.7
67.05433	0.6
68.75478	0.1
69.06966	0.3
71.06925	0.3
71.07288	4.4
71.55003	0.1
77.80636	0.2
79.05388	0.2
81.06989	0.3
82.64793	0.2
83.08548	0.2
86.09628	46.9
87.09940	0.6
93.06974	0.3
95.08539	0.4
98.98398	4.0
104.10683	2.4
104.78113	0.2
124.99963	31.9
126.00310	0.2
143.01016	0.6
146.98204	0.4
158.01129	0.2
182.64165	0.2
184.07307	100.0
185.07695	1.4
249.15977	0.2
256.69406	0.2
349.87408	0.2
438.17218	0.2
447.61020	0.2
449.23376	0.2
553.96924	0.2
593.45160	0.4
643.45483	0.2
717.44073	0.3
758.57697	0.2
776.57996	8.5
777.58246	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96500	44.9
61.47472	1.6
72.51800	1.8
73.19138	1.8
74.12420	1.7
81.06957	2.1
84.95964	9.0
86.09608	11.1
92.10233	4.1
95.56512	2.2
98.97514	91.6
99.05558	2.7
100.29084	2.0
110.97514	8.8
112.99078	10.9
116.98573	99.2
124.99932	3.0
128.98566	33.0
131.00146	44.1
134.99631	63.4
135.00606	3.4
140.98506	2.7
143.00125	20.8
146.99637	55.5
149.01207	100.0
152.08868	2.0
153.00697	9.0
158.99631	44.2
161.01205	41.2
162.99136	2.4
165.00682	12.7
167.02266	43.5
170.01338	2.6
170.99629	45.0
172.02783	4.4
173.01207	12.0
177.00681	97.8
179.02257	12.5
184.07310	12.5
185.01192	11.3
187.02809	2.6
189.00685	97.8
189.02345	4.4
191.02284	22.1
195.01741	18.6
199.02766	11.6
200.02301	9.0
201.00748	18.4
203.02254	17.5
207.01839	18.3
212.02347	9.2
213.00662	8.3
215.02260	3.9
217.03799	12.9
219.01752	38.7
221.03340	2.5
227.02272	3.8
231.01691	12.0
233.03336	10.7
237.02814	27.9
242.03429	2.2
261.02771	32.4
272.57532	1.9
275.04480	8.1
279.03845	43.0
291.03894	2.3
293.05362	58.0
297.04874	25.9
309.04797	7.8
311.06445	31.1
319.19394	21.2
321.04892	93.6
337.20438	55.7
339.05872	10.6
381.06894	5.0
437.09464	17.5
455.10617	42.1
541.26581	9.9
555.28369	14.9
594.98230	2.7
717.33563	95.2
718.33569	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	777.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81860	1.9
55.05425	2.4
56.96236	2.2
56.96503	43.4
61.30988	2.0
63.20443	1.8
70.06495	1.9
70.74638	2.0
71.95208	2.2
84.95937	8.6
98.97505	87.7
110.33600	2.7
110.97511	9.7
112.99087	9.3
116.98566	92.1
128.98587	27.4
131.00119	39.4
134.99625	54.6
143.00134	13.8
146.99632	48.9
149.01193	100.0
149.02261	4.3
153.00696	8.8
158.01184	3.1
158.99614	34.9
161.01184	41.6
165.00684	11.9
167.02232	31.2
170.99590	33.1
173.01173	9.6
175.02847	3.1
177.00685	72.5
179.02238	3.4
179.22247	2.3
185.01193	9.7
188.98987	3.4
189.00677	88.7
191.02235	22.2
195.01723	15.2
195.74162	2.6
199.02759	10.3
200.02306	3.8
201.00697	15.7
203.02245	18.7
207.01712	12.3
209.03391	3.4
212.02354	2.9
213.00623	2.8
215.02237	2.7
217.03783	15.9
219.01707	33.7
227.02176	3.5
231.01691	9.8
233.03302	4.9
237.02802	23.9
261.02765	26.9
275.04324	5.1
279.03867	32.6
291.03659	3.0
293.05359	60.3
297.04971	21.9
309.04779	8.8
311.06387	22.6
316.71970	2.4
319.19281	13.1
321.01160	4.8
321.04855	96.3
337.20444	46.4
339.05826	9.0
381.07153	7.1
437.09659	22.6
455.10501	41.3
541.26813	5.2
555.27850	8.7
661.30939	2.6
717.33484	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20897	0.3
55.05456	0.4
56.96505	0.9
60.38953	0.3
60.95292	0.4
64.33360	0.4
70.06509	4.1
84.04433	2.4
84.08053	0.5
86.09667	0.5
87.24522	0.4
88.86981	0.4
104.69808	0.5
110.07188	0.4
159.03226	1.2
184.02756	4.6
187.02835	1.6
197.05980	0.9
199.07436	0.7
202.03867	3.9
215.06969	0.7
215.10678	0.5
217.08655	2.5
227.07103	0.5
235.09680	2.0
238.11261	0.5
248.09596	0.9
263.10718	0.7
264.14026	0.8
265.12186	7.8
266.10571	7.4
267.13794	0.7
279.10132	1.7
281.11823	1.9
282.14859	0.9
283.13211	37.8
284.11472	7.1
291.10104	2.0
295.18268	0.6
297.11298	0.5
297.19391	0.6
301.14297	12.2
302.12653	0.8
307.13531	0.5
308.12799	0.8
309.11160	17.6
309.14648	0.9
311.12701	0.9
326.13736	1.5
327.12155	5.0
331.16974	0.9
341.18646	2.5
349.18097	2.8
356.16345	0.6
357.14682	0.9
360.19888	0.6
363.24374	0.7
364.22644	0.6
375.15872	0.6
377.22308	0.7
381.25290	12.9
389.22177	4.1
393.17062	2.0
401.62982	0.5
407.23148	8.4
408.21869	1.7
415.19904	0.6
425.24265	11.5
429.29388	0.5
447.30109	1.9
451.22247	4.4
455.27219	0.9
473.27753	4.8
491.28906	16.8
492.29449	0.5
499.25586	0.6
517.26801	10.0
518.27081	0.6
543.00446	0.4
607.41534	0.5
615.38892	0.8
633.39880	17.6
634.40491	0.7
699.44690	2.6
717.45721	100.0
718.45953	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	777.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	15.4
57.03376	5.8
57.06984	2.7
60.08102	14.3
61.02852	7.8
65.58329	1.3
67.05428	30.7
69.06981	15.9
71.07276	3.7
73.02823	1.6
79.05418	15.8
81.06971	27.2
83.04877	1.5
83.08525	6.7
85.02814	3.5
86.09148	2.8
86.09629	59.7
87.09962	14.5
91.05397	14.0
93.06951	19.2
95.04858	2.1
95.08530	22.8
97.02798	2.3
98.98412	2.8
103.57690	1.4
104.10666	2.5
105.06982	14.4
107.08544	13.0
109.10110	7.7
114.38605	1.5
117.06994	2.9
119.08539	11.6
121.10089	9.7
121.87588	1.8
124.99967	45.9
126.00284	3.2
126.05219	1.5
127.00379	6.6
131.08516	8.3
133.10068	7.6
135.11714	2.7
143.08476	2.0
145.10086	11.0
147.11659	1.7
149.13225	2.0
161.13257	2.9
163.14781	2.8
169.10112	2.4
173.13103	1.7
175.15002	1.5
184.07310	100.0
185.07640	30.1
186.07776	13.4
261.22076	2.2
274.96063	1.7
335.25510	3.0
337.27347	3.7
360.86481	1.9
384.74826	1.8
473.20490	7.0
491.09598	1.8
544.81470	1.7
597.48462	2.0
615.49725	54.3
616.50134	5.8
621.45770	1.9
758.55804	11.5
759.54865	6.9
778.46436	2.3
793.97302	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	778.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01810	0.6
55.05452	10.9
55.58131	0.6
57.03374	3.2
57.07009	1.5
59.04937	0.6
65.03873	0.8
67.05430	29.3
69.06988	10.4
71.04874	0.6
71.07285	3.1
75.68102	0.6
77.90488	0.5
78.23697	0.6
79.05413	13.5
81.06978	26.0
83.08533	3.5
85.10112	0.8
86.09624	10.2
89.07932	0.6
91.05415	8.9
93.06976	14.8
95.08530	20.5
97.10114	1.4
98.05974	1.4
105.06980	5.5
107.08534	8.4
109.06447	0.6
109.10098	6.7
117.06947	1.3
119.08557	4.2
120.96592	32.1
121.10107	5.9
123.11677	3.5
125.00041	0.7
131.08531	3.7
133.10107	3.4
135.11674	3.9
138.97728	0.8
139.11142	0.6
145.10086	1.3
145.99763	0.7
146.98166	11.1
147.11679	2.9
149.13251	1.4
159.11707	1.0
161.13274	1.3
163.14809	0.8
173.13118	0.9
175.14781	1.3
176.99174	6.3
177.12767	0.6
184.07266	2.4
195.00246	20.9
208.97890	0.6
247.05025	0.7
273.95126	0.6
277.87518	0.7
304.26401	1.5
306.27771	5.5
308.29547	0.7
309.29688	1.3
322.52203	0.6
326.24570	1.2
335.25665	4.9
337.27228	8.3
344.25464	0.9
357.24023	4.8
359.25464	0.8
375.24890	5.2
376.55707	0.8
377.26563	1.3
424.22110	8.8
426.23611	7.5
437.20456	3.9
439.21997	2.9
442.23251	0.7
455.21628	100.0
456.21970	4.9
457.23212	57.9
457.28329	0.7
458.23340	2.8
471.21237	0.8
473.22748	4.3
595.47076	7.1
719.46185	8.3
740.86060	0.8
760.48621	38.6
761.48645	3.5
778.53485	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	778.5367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65059	0.1
56.04978	0.8
58.06538	0.3
60.08091	9.4
63.88660	0.1
67.05426	0.4
70.43872	0.2
71.07286	5.0
79.05401	0.4
81.06990	0.4
86.09621	50.2
87.09964	0.4
89.19726	0.2
93.06979	0.2
93.80515	0.2
95.08542	0.2
98.98389	4.6
104.10677	3.5
112.91203	0.2
124.99955	36.4
126.00384	0.2
143.01021	0.9
150.26285	0.2
164.54903	0.2
183.58632	0.2
184.07294	100.0
185.07626	1.5
259.81479	0.2
470.31937	0.2
473.20316	1.8
707.62494	0.2
708.54797	0.2
778.53766	4.3
779.53839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04969	0.4
58.06531	0.3
60.08092	10.5
61.68172	0.2
67.05437	0.4
71.07288	5.3
79.05398	0.3
81.06969	0.3
81.93826	0.2
86.09624	52.1
87.09942	0.9
92.10918	0.2
93.06986	0.2
98.98392	5.2
104.10668	3.4
110.99644	0.1
123.35435	0.2
124.99960	38.7
143.01004	0.9
146.98199	0.3
150.31662	0.2
166.66049	0.2
175.99753	0.2
184.07301	100.0
185.07629	1.8
228.97372	0.2
384.85632	0.2
533.76617	0.2
780.55164	5.4
781.54785	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5693
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04965	0.6
56.50158	0.2
57.07013	0.4
58.06541	0.5
58.07817	0.2
60.05564	0.3
60.08099	9.6
67.05415	1.3
69.06989	0.5
71.07286	4.8
78.06261	0.3
79.05412	0.4
79.31809	0.2
81.06972	1.9
86.09629	50.2
87.09977	0.3
93.06950	0.5
95.04871	0.3
95.08524	1.0
96.04389	0.3
98.98402	4.7
104.10673	3.5
107.08492	0.3
109.10111	0.3
124.99966	37.7
136.06149	0.3
143.01031	1.0
145.10152	0.4
169.68219	0.3
175.77676	0.3
184.07312	100.0
185.07634	1.7
266.55154	0.3
321.09894	0.3
400.36499	0.3
631.68243	0.4
782.57074	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	784.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	23.5
55.05443	18.7
57.03365	9.0
57.07027	4.1
67.05429	68.2
69.03348	56.4
69.06975	20.1
69.16033	4.5
70.06502	5.3
71.04890	4.3
73.02837	6.9
79.05405	21.3
81.03337	52.6
81.06975	65.8
83.08539	20.0
85.02822	63.0
86.09616	6.8
91.05406	17.3
93.06956	27.6
94.80732	4.2
95.08537	64.2
97.02838	53.9
99.04384	81.9
101.02336	5.1
105.06983	6.2
107.08542	8.7
107.52651	3.8
109.02837	43.8
109.10102	25.3
119.08521	7.8
121.10082	19.4
123.11689	5.7
127.03874	100.0
131.08556	4.9
133.10190	4.8
135.11617	5.2
138.48193	4.0
145.04955	9.8
145.87650	4.5
147.11676	5.9
161.13158	4.9
184.07263	5.7
263.23682	5.3
359.25433	6.9
363.95032	5.3
407.27856	6.8
425.28900	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01810	16.0
55.05450	27.9
57.03376	14.6
57.07005	11.1
59.04930	1.4
61.02852	3.0
67.05070	3.3
67.05431	99.4
69.03351	50.1
69.03687	1.6
69.06986	30.0
71.01254	2.3
71.04917	9.5
71.08538	3.9
73.02809	6.9
73.86047	1.4
79.05407	45.4
81.03336	34.3
81.06974	100.0
83.04906	9.0
83.08537	17.1
85.02827	54.5
85.03340	1.7
85.06452	3.4
85.08801	1.6
85.87792	1.5
86.09640	3.2
87.04401	2.8
87.24109	1.7
91.05403	39.0
93.06980	48.1
95.04889	14.5
95.08537	74.2
97.02823	29.3
97.06464	3.8
97.10104	9.4
99.04382	13.2
99.08006	5.7
101.02317	2.2
103.03853	2.0
104.10688	8.3
105.06979	33.4
107.04924	8.2
107.08535	37.0
109.02838	8.9
109.06505	3.4
109.10107	33.7
111.04397	3.2
111.08022	3.5
115.03873	2.9
117.06974	16.5
119.08530	27.5
121.06473	9.0
121.10101	23.8
123.08022	7.4
123.11659	11.6
125.09586	3.4
127.03876	34.2
128.06064	1.7
129.06981	8.2
131.08554	24.4
132.94907	1.7
133.06461	2.8
133.10057	17.5
135.07991	2.6
135.11646	11.8
137.13266	3.5
141.06993	2.4
143.08542	9.1
145.04968	7.0
145.06500	1.8
145.10100	12.6
147.08034	3.6
147.11676	14.2
149.13242	8.3
151.14780	2.2
155.08612	3.3
157.10123	7.4
159.08014	2.7
159.11723	7.8
161.05943	1.7
161.13266	9.4
163.14828	7.6
166.99561	1.6
169.10039	2.4
171.08031	2.2
171.11612	3.4
173.09608	2.1
173.13173	2.9
175.14790	6.8
177.16348	2.8
177.17871	1.6
181.10147	2.2
181.12306	2.2
187.14774	3.1
189.16338	3.1
191.14342	2.2
195.13789	2.2
199.14799	2.2
201.12773	1.8
201.16277	1.8
219.13823	2.1
243.21123	1.9
257.22903	1.7
263.23660	8.2
273.21713	1.8
275.23563	2.8
277.14368	2.0
279.23380	1.8
291.22961	3.5
293.24695	3.9
303.23276	1.8
305.24649	6.2
317.24893	2.4
329.24789	2.3
343.26373	2.5
353.24637	8.2
371.25726	32.0
389.26752	26.2
407.27808	45.2
425.28842	16.2
432.58969	2.1
489.72601	1.7
551.31897	3.2
569.33148	3.8
702.44427	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	786.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86304	0.3
60.35154	0.3
65.03862	7.9
65.04156	0.4
67.05453	0.6
68.49355	0.3
69.03368	0.3
69.76569	0.3
81.06977	0.3
86.09669	0.4
89.12171	0.4
93.06980	0.4
95.08491	0.3
98.49487	0.3
104.10704	0.4
105.03317	0.4
121.02814	3.0
121.10070	0.4
122.32784	0.3
131.04980	0.3
133.02878	0.4
139.03899	4.3
147.04405	1.9
149.02324	100.0
149.03398	7.0
150.02676	1.6
159.03311	0.3
175.03871	1.4
177.05466	0.4
184.07323	0.5
184.85860	0.4
186.16043	0.3
191.06969	1.3
193.04926	69.5
194.05252	1.4
217.58647	0.3
219.06512	1.5
237.07631	0.7
252.50568	0.3
259.94098	0.4
269.04291	0.5
297.03952	0.4
313.06985	0.7
341.06525	3.5
359.07266	1.5
385.09106	4.1
577.12067	0.5
769.17444	17.9
770.16699	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	788.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03359	0.2
60.53069	0.1
69.03317	0.1
76.56441	0.1
85.02822	0.4
97.02795	0.2
109.05076	0.2
110.03473	0.9
127.03841	0.1
128.04538	0.8
128.05321	0.1
135.02985	0.5
152.05640	100.0
153.04054	5.7
153.06047	1.1
154.02383	0.1
157.87183	0.1
161.10956	0.1
256.53448	0.1
284.09818	5.1
307.35645	0.1
513.63110	0.1
520.54773	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	788.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81597	1.5
55.74587	1.3
57.03363	2.2
61.02844	3.2
69.03352	12.8
71.04913	3.3
73.02828	2.8
73.91887	1.3
81.03346	20.0
85.02831	77.4
92.63893	1.3
97.02831	43.2
99.04385	47.4
103.03887	78.6
109.02831	28.6
127.03879	100.0
145.04944	30.7
163.03854	2.7
163.05966	28.3
187.05942	2.4
201.57732	1.4
205.07104	1.7
215.53627	1.4
223.15712	1.5
231.75497	1.4
236.24631	1.5
271.08112	11.0
279.52213	1.4
289.09079	7.2
307.10208	23.7
410.70728	1.5
696.78656	1.6
788.38702	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	788.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05419	0.9
57.07013	3.7
60.08096	10.6
63.45279	1.1
67.05415	1.7
67.13716	0.7
71.07281	4.8
71.08551	4.4
81.06981	2.1
85.10128	1.5
86.09628	53.0
89.05976	7.6
94.59653	1.0
95.08526	1.0
98.98392	5.2
104.10706	1.7
107.07027	1.0
124.99959	34.9
133.08575	2.1
184.07300	100.0
212.28223	1.0
243.86040	1.1
251.16760	0.8
262.52737	1.3
487.26480	1.0
596.20599	1.1
659.02386	0.9
788.54181	9.8
789.55762	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	790.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04952	0.8
60.08094	9.6
66.87018	0.2
67.05432	0.4
67.48801	0.2
71.07291	4.9
71.08504	0.2
71.63155	0.2
72.08040	0.2
81.06963	0.3
86.09628	46.7
87.09968	1.2
98.98394	4.2
104.10688	3.4
107.05203	0.2
115.96352	0.2
116.99433	0.2
124.99963	33.2
143.01028	1.3
160.38109	0.2
184.07307	100.0
185.07637	2.9
186.07782	0.4
350.88632	0.2
447.97321	0.3
612.68182	0.2
650.43707	2.1
651.43481	0.2
690.46082	0.5
754.53247	0.4
772.54022	1.7
790.55853	5.9
791.55511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	0.2
56.04973	1.0
57.07001	0.2
58.06542	0.6
58.65027	0.1
60.08093	10.1
68.02267	0.2
71.07291	5.6
75.30319	0.1
76.56191	0.1
79.05412	0.2
81.06966	0.2
86.09625	50.0
87.09959	0.8
91.05371	0.2
93.06957	0.2
98.98394	4.4
104.10677	4.6
105.06969	0.2
115.89749	0.2
116.99429	0.2
124.99961	37.6
126.00310	0.2
143.01013	0.7
166.02692	0.2
184.07301	100.0
185.07680	1.5
275.59186	0.2
309.79596	0.2
424.30298	0.2
496.33661	0.2
524.89886	0.2
680.77667	0.2
747.35608	0.2
772.54779	4.3
773.53571	0.2
790.55914	3.1
791.54712	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04979	0.9
57.07021	0.2
58.06533	0.3
60.08096	9.8
67.05437	0.3
70.06496	0.3
71.07288	4.9
84.10810	0.2
86.09627	52.3
87.09956	0.8
95.08554	0.3
98.98388	4.4
98.99000	0.2
104.10691	3.9
108.30067	0.2
111.97213	0.2
124.99963	35.8
126.00315	0.3
131.70308	0.2
143.01054	1.1
168.47462	0.2
184.07304	100.0
185.07750	1.3
225.20973	0.2
225.23404	0.2
236.16241	0.2
531.17273	0.3
650.43427	0.9
772.54840	3.0
773.54022	0.8
790.56006	4.6
791.55304	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03363	3.2
57.07005	0.5
58.06517	0.4
58.90162	0.4
60.08097	10.8
61.02822	0.4
67.05072	0.6
67.05430	15.5
69.06979	4.9
71.07303	4.5
71.94704	0.4
78.72532	0.5
79.05415	7.3
81.06511	0.7
81.06976	13.5
83.08553	3.9
85.06475	0.6
86.09631	49.4
87.09967	0.8
89.23727	0.4
91.05393	4.6
93.06982	8.8
95.04876	0.8
95.07967	0.5
95.08535	11.5
97.06420	0.6
97.10062	0.8
98.98392	4.3
99.08012	0.5
104.10664	2.5
105.06976	3.9
105.43633	0.4
107.08533	4.1
109.10132	4.8
117.06959	0.8
119.08553	3.1
121.10116	3.7
123.11637	0.9
124.99967	36.1
131.08521	0.9
133.10100	2.9
135.11635	2.5
143.01015	0.7
145.10077	0.8
147.11662	0.8
149.13235	1.0
159.11703	0.7
161.13220	0.8
175.14760	0.5
184.07315	100.0
185.07733	1.1
187.14870	0.7
227.08449	0.4
235.54750	0.5
261.22058	1.0
335.25815	6.2
337.27261	7.4
354.22455	0.5
464.97836	0.5
471.19064	2.7
473.20251	1.0
534.54169	0.5
597.48969	3.6
615.49628	3.2
776.52539	6.3
794.49042	0.6
795.52203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03100	1.1
57.03370	20.9
57.07003	6.8
60.08089	2.2
61.02857	7.1
63.12114	0.9
65.03866	2.2
67.05425	99.2
67.40673	0.9
68.05748	1.3
69.03352	1.9
69.06984	33.1
70.38607	0.8
71.04903	1.6
71.07285	1.6
71.08544	4.4
78.56531	0.9
79.04951	1.9
79.05406	48.9
81.06973	100.0
82.07301	1.5
83.04878	1.6
83.08536	16.7
83.23187	0.9
84.25526	0.8
85.02809	4.3
85.06477	2.1
86.09628	22.4
91.03881	1.2
91.05404	56.7
93.06970	54.7
94.07242	1.2
95.04881	5.5
95.08530	77.4
96.08813	1.0
97.02819	2.2
97.06447	2.0
97.10083	6.6
99.08048	1.6
105.06970	18.7
106.14625	1.0
107.08536	27.6
108.08057	1.8
109.06482	3.9
109.10106	27.1
117.06919	7.3
119.08527	18.8
121.10094	25.4
123.11648	10.1
124.99957	17.4
131.08524	9.5
133.10088	12.7
135.11664	12.7
137.09666	1.2
137.13225	3.8
143.08528	1.1
145.10091	7.1
146.98216	1.3
147.11676	9.3
149.13248	6.9
159.11655	4.7
161.13202	5.9
163.14790	2.5
171.11742	1.1
173.13226	4.5
175.14819	2.1
182.20190	1.0
184.07301	39.8
187.14789	1.1
201.16342	0.9
243.20984	1.6
259.20563	2.0
261.22110	11.8
263.23581	1.2
283.81711	1.2
291.23099	1.2
307.09698	1.1
317.24750	2.0
319.26285	1.3
335.25729	43.2
336.26041	1.8
337.27283	48.8
338.27682	1.9
339.28699	2.2
397.29080	7.1
398.30438	8.2
471.18744	1.6
597.48792	18.1
598.48822	2.1
615.49487	20.6
616.49512	2.0
776.51605	1.7
794.48370	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04958	0.4
58.06526	0.2
58.56145	0.2
60.08092	9.0
67.05412	0.7
70.06490	0.2
71.07285	4.9
71.22937	0.2
72.50883	0.1
75.46149	0.1
86.09622	49.6
87.09951	0.7
92.10237	0.3
95.08526	0.2
98.98391	4.4
104.10661	3.5
124.99956	34.9
126.00244	0.2
141.05345	0.2
143.01028	0.9
184.07295	100.0
185.07680	1.8
194.72461	0.1
209.49577	0.2
246.02611	0.2
298.08038	0.2
325.57370	0.2
373.19495	0.2
401.35562	0.2
409.71457	0.2
778.52509	0.2
796.54596	10.7
797.55115	1.3
814.29541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04979	0.4
58.06514	0.5
60.08095	13.5
67.05407	0.7
69.06975	0.5
71.07290	5.9
81.06978	1.6
86.09626	56.5
87.09965	0.9
88.14883	0.4
95.08546	0.5
98.98395	5.3
104.10688	4.4
109.10107	0.5
119.08543	0.5
124.99964	43.9
142.03885	0.4
143.01048	0.7
184.07306	100.0
185.07643	1.8
186.74463	0.5
260.53128	0.4
291.83380	0.6
531.28870	0.6
796.54657	13.6
797.54370	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	796.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04974	1.0
58.06266	0.1
58.06530	0.3
60.08093	8.9
66.98443	0.1
67.05418	0.2
70.06481	0.1
71.07288	4.9
77.55132	0.1
79.05415	0.2
81.06950	0.3
86.09625	48.4
87.09956	0.7
91.05408	0.2
95.08525	0.3
98.98397	4.6
104.10671	3.0
105.06955	0.2
116.99438	0.2
124.99961	34.3
126.00305	0.2
143.01051	0.6
151.95233	0.1
184.07307	100.0
185.07719	1.6
424.45642	0.2
437.70319	0.1
643.55560	0.2
778.53656	6.9
779.53796	0.9
796.52673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03375	20.3
57.07012	11.1
57.21590	0.7
61.02837	5.2
65.03855	1.9
67.05428	100.0
69.03333	1.2
69.06989	45.4
70.39848	0.7
71.04919	1.9
71.08548	3.2
73.02827	0.8
79.05412	30.7
81.06977	97.9
83.04897	1.8
83.08086	1.4
83.08536	23.3
85.02822	4.9
85.06453	3.2
85.10073	0.7
91.05408	17.1
92.10275	3.0
93.06971	34.2
95.04871	3.6
95.08532	73.6
96.08866	3.1
97.02798	1.0
97.06469	6.9
97.10100	13.1
99.07999	3.1
99.46565	0.7
105.06983	15.0
107.08546	17.9
109.06468	0.8
109.09393	1.6
109.10105	27.0
111.08019	4.6
111.11676	1.3
113.09596	1.3
117.06941	1.2
119.08534	11.5
121.10082	14.1
123.08052	1.2
123.11654	11.0
131.08521	5.0
133.10118	8.8
135.11649	9.8
137.13216	4.1
140.61349	0.8
145.10135	3.8
147.11649	6.5
149.13232	4.7
151.14778	1.5
159.11696	0.9
161.13263	6.5
163.14784	4.1
173.13235	1.6
175.14777	3.1
177.16339	1.0
243.21074	1.6
245.22604	3.5
245.75235	0.7
261.22113	3.5
263.23621	6.0
335.25659	4.9
337.27304	98.2
338.27740	7.4
339.28906	8.1
401.89816	0.9
525.46112	1.4
599.50244	36.4
600.50385	5.1
617.41766	1.1
617.51239	28.3
618.52039	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	798.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03373	10.1
57.11797	0.4
61.02850	8.0
69.03351	35.4
69.06984	2.7
71.01263	0.5
71.04913	1.8
71.11815	0.4
73.02824	6.8
79.20715	0.4
81.03329	5.8
83.01243	0.7
85.02828	100.0
86.09627	77.8
87.04392	0.9
89.06711	0.4
91.03887	6.3
95.04901	0.5
97.02823	36.0
99.04388	10.1
101.02330	7.7
103.03860	0.8
109.02818	8.4
111.04362	0.6
115.03893	4.6
123.04407	0.6
126.40643	0.5
127.03875	77.2
128.04266	1.7
132.09361	0.7
132.10165	29.4
145.04939	54.6
146.05263	0.5
151.03888	0.8
159.57433	0.5
163.05977	20.8
193.04997	0.5
223.05975	0.9
230.13783	1.0
235.05965	0.5
241.07184	0.7
247.08217	0.9
253.07045	2.1
259.08148	3.4
271.08029	3.5
276.14349	2.1
289.09088	10.2
294.15378	1.0
325.11209	21.3
587.56635	0.5
678.57806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04973	0.9
57.98842	0.2
58.06526	0.2
60.08096	11.2
62.85856	0.2
68.98213	0.2
71.07290	6.5
72.66809	0.2
85.29153	0.2
85.39968	0.2
86.09630	51.1
87.09959	0.5
91.84388	0.2
92.10954	0.5
97.49242	0.2
98.98402	4.2
104.10690	3.2
113.41216	0.3
124.99967	37.3
143.01045	0.8
184.07312	100.0
185.07635	1.6
211.19556	0.2
227.74120	0.3
554.30731	0.3
599.34534	0.3
752.95819	0.3
771.86865	0.3
772.00885	0.4
780.55194	8.1
781.55389	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	798.5639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04977	0.5
58.06532	0.2
59.38596	0.2
60.08096	8.9
67.05434	0.4
68.07295	0.2
71.06922	0.4
71.07289	5.1
79.05425	0.4
81.07004	0.4
86.09628	48.1
87.09975	1.0
93.06965	0.3
95.04935	0.2
95.08567	0.3
98.98405	3.5
104.10680	2.7
116.99432	0.3
124.99966	34.6
135.25160	0.2
143.01039	1.2
144.75197	0.2
184.07309	100.0
185.07593	1.7
195.00116	0.2
302.94772	0.2
445.25806	0.2
568.43378	0.3
724.23383	0.3
780.55048	5.9
781.55878	0.7
798.55090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76859	0.2
56.04965	0.5
56.92030	0.2
58.06537	0.3
59.06048	0.3
59.06523	0.2
60.07782	0.3
60.08093	10.3
64.90862	0.2
67.05421	1.0
69.07001	0.2
70.68318	0.2
71.07290	4.7
74.26605	0.2
76.56468	0.2
79.05386	0.2
81.06971	0.9
83.08525	0.2
86.09626	53.4
87.09963	0.5
93.06976	0.3
93.35859	0.2
95.08527	0.5
98.05988	0.3
98.98398	5.5
102.71146	0.2
104.10680	4.0
124.09370	0.2
124.99963	39.0
126.00234	0.3
143.01024	0.9
184.07304	100.0
185.07614	1.7
200.64203	0.2
300.55246	0.2
334.81567	0.2
493.89230	0.2
780.54785	0.4
798.56183	6.8
799.55377	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03372	1.3
57.07003	0.6
61.02855	7.5
67.05428	7.9
69.03349	4.8
69.07001	3.3
71.04855	0.5
73.02827	5.6
79.05389	6.1
81.03355	3.1
81.06966	8.5
83.08557	0.9
85.02826	7.0
86.09624	2.5
91.03905	3.5
91.05431	3.0
93.06981	3.9
95.04877	0.9
95.08522	7.3
97.02831	6.5
101.02323	2.7
103.48235	0.6
105.06982	1.1
107.08546	2.1
109.02854	0.9
109.06472	0.6
109.10110	4.3
118.48556	0.6
119.08529	0.7
121.10120	2.1
123.11653	0.7
124.93722	8.7
124.94488	0.6
124.99977	1.0
126.60644	0.5
127.03896	2.0
133.10139	1.3
135.11713	0.8
142.94795	3.7
168.93198	0.5
184.07278	4.4
185.04234	0.8
188.33820	0.5
195.00246	1.1
203.05373	0.6
243.08374	1.2
248.46307	0.6
394.26404	0.7
459.18982	2.0
461.20157	6.9
475.18237	1.0
477.19736	4.8
479.21509	0.6
491.23486	2.1
519.29175	7.1
521.30762	4.7
614.58344	0.7
656.34296	0.6
799.53192	100.0
800.50397	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	800.579
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04974	0.6
56.58540	0.1
57.68637	0.1
58.06527	0.2
60.05575	0.5
60.08095	9.5
61.08431	0.2
67.05437	0.3
70.06520	0.1
71.07290	4.8
74.09616	0.3
79.05421	0.2
80.29362	0.1
81.06919	0.1
86.09627	48.0
87.09441	0.2
87.09953	1.4
93.06974	0.2
95.08545	0.1
98.97761	0.1
98.98398	4.2
104.10681	3.3
116.99509	0.2
124.28242	0.1
124.99963	35.1
126.00307	0.2
143.01085	0.9
184.07309	100.0
185.07654	3.2
186.07800	0.2
306.27817	0.2
388.44461	0.1
405.67596	0.1
513.96942	0.2
583.63849	0.1
782.56763	7.0
783.57275	1.0
799.56683	0.3
800.56189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5789
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06518	0.4
58.41623	0.3
59.06059	0.3
60.05570	2.3
60.07827	0.6
60.08098	10.8
67.05412	0.8
70.06520	0.3
71.07292	4.3
76.68563	0.4
79.05377	0.5
81.06955	1.5
86.09631	50.3
87.09956	0.8
92.10246	0.9
93.06968	0.6
95.08531	0.6
98.98396	3.8
104.10706	3.3
120.43468	0.3
124.99969	35.4
129.72302	0.3
130.10110	0.3
139.93974	0.4
143.00990	0.7
145.46252	0.4
161.74911	0.4
162.36447	0.3
184.07309	100.0
185.07675	2.9
220.92029	0.3
237.38889	0.4
273.78384	0.4
306.27951	0.7
633.51050	0.4
800.45245	0.4
800.57770	5.8
801.57477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06043	0.4
60.05580	5.1
60.07828	0.6
60.08097	11.0
67.05431	0.5
71.07295	4.5
74.09615	0.9
80.62188	0.4
81.06969	1.0
86.09629	50.9
93.06960	0.5
95.08536	0.7
98.98393	4.0
104.10687	3.1
107.08568	0.5
109.10109	0.4
123.44591	0.4
124.99966	35.3
129.37045	0.4
143.01021	1.1
184.07310	100.0
185.07683	2.1
306.27887	0.8
346.63620	0.4
782.56635	4.8
800.57220	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	801.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04961	0.6
57.03363	0.8
57.52946	0.1
60.04424	0.1
61.02841	0.5
69.03344	1.0
70.06138	0.3
70.06507	7.5
70.06889	0.3
71.04910	3.1
71.06818	0.2
72.08064	0.3
73.02819	0.2
75.04375	0.2
81.03323	0.8
83.04886	1.5
83.06011	0.8
84.04431	3.0
84.08055	1.1
85.02826	6.8
85.03345	0.3
86.09620	0.9
87.04404	0.2
91.05386	1.0
97.02824	1.1
99.04369	0.2
101.07070	0.6
103.05397	0.2
103.90884	0.1
106.02856	0.2
108.65394	0.1
109.02821	0.6
110.07136	1.2
111.04387	0.7
112.08607	0.2
115.08631	0.7
119.04885	0.7
120.08040	1.0
121.01955	0.1
122.07088	0.1
124.03886	1.0
127.03849	0.7
129.05437	0.8
129.06494	0.3
129.10168	0.5
136.07516	0.5
139.03859	0.1
140.69312	0.1
145.04907	0.3
147.04387	0.5
153.00531	0.1
153.01736	1.0
159.09064	0.2
171.02826	0.6
175.03839	0.6
178.02611	0.2
179.06998	0.3
181.04890	0.3
205.04781	0.2
207.06573	0.8
226.11896	0.2
239.11325	0.2
242.05751	0.8
258.05249	0.9
268.07990	0.3
270.05157	8.9
271.05420	0.2
273.03934	0.7
281.52267	0.2
286.04694	0.9
287.05438	3.6
299.05539	0.6
301.03394	2.1
302.04175	2.9
313.03781	0.2
315.04919	32.4
316.05600	5.8
331.08041	100.0
332.08365	4.7
462.59250	0.2
493.13293	21.3
494.13513	1.7
499.80530	0.2
540.79028	0.2
639.19342	1.9
744.49316	0.2
792.01086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03385	2.1
60.05569	0.4
60.08097	1.0
61.02855	7.4
62.24607	0.4
67.05430	6.1
69.03347	4.5
69.06982	2.9
70.27187	0.5
73.02834	5.5
79.05407	2.4
81.03329	0.9
81.06979	9.5
83.08543	1.2
85.02834	6.1
86.09637	7.9
91.03880	3.1
91.05410	2.6
92.10223	0.7
93.06971	3.1
95.08529	6.3
97.02812	5.0
99.04403	1.0
101.02332	2.2
105.07010	1.0
107.08551	2.0
109.02866	0.8
109.10116	2.8
123.11662	0.7
124.99951	5.2
133.10143	0.7
147.11732	0.6
171.62044	0.5
184.07309	16.2
185.04219	0.9
243.08458	2.3
306.27878	0.9
337.27191	1.1
521.30786	12.2
636.42169	0.6
801.54749	100.0
802.55048	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	802.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80911	1.3
58.06526	1.5
59.71581	1.2
61.10646	1.3
62.47368	1.1
67.05441	5.7
68.04944	1.2
69.03378	1.6
69.06997	8.3
70.06510	53.9
72.08080	3.5
79.05421	8.4
79.88719	1.2
81.03361	5.6
81.06985	6.1
82.06494	2.3
83.06036	2.3
84.04416	11.0
84.08060	14.4
85.02835	6.6
86.09625	1.9
91.05419	6.2
93.06979	3.4
94.06511	8.3
96.08049	5.5
97.02827	3.4
97.10134	1.5
101.07076	1.5
105.07024	2.3
107.07301	8.8
107.08552	2.3
108.08090	9.8
109.02881	1.8
110.07146	7.8
110.09663	2.7
119.04896	2.4
120.08106	9.3
121.02847	9.6
122.09621	10.2
124.03947	9.3
124.11203	1.6
127.08892	1.2
127.09969	6.3
129.10254	2.5
134.09575	2.1
136.07565	2.8
140.10733	2.7
145.02792	2.4
148.11150	1.6
159.09230	1.5
166.34460	1.3
175.03925	1.9
177.05461	2.1
181.04945	2.2
194.34459	1.6
207.02841	3.1
218.15506	3.4
219.02873	5.2
220.16931	47.3
220.18945	2.4
222.37816	1.5
238.17963	48.6
238.20256	2.3
239.18480	1.7
256.19022	31.6
268.08084	2.0
283.06055	1.9
294.05334	7.2
295.05997	21.6
296.06769	2.0
297.07547	2.1
307.05917	17.1
308.06860	6.3
309.04477	1.5
309.07669	9.7
313.06943	2.5
321.07510	14.9
323.09140	2.2
325.06979	19.9
325.10297	1.5
327.08563	2.4
333.07690	6.4
335.09265	2.8
337.06934	16.1
339.08548	2.8
345.07785	2.2
349.07272	8.4
351.08765	2.8
361.07062	7.2
363.08759	7.7
367.08466	1.9
373.06921	2.3
379.08170	9.8
391.08096	15.7
393.09436	2.1
409.09338	7.0
501.67749	1.6
650.82355	1.7
784.31952	14.7
802.32629	100.0
803.32825	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	802.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04967	4.6
57.07021	1.2
58.00295	0.8
60.08091	1.2
65.03869	3.5
65.93542	0.8
67.05431	41.6
69.06995	10.9
71.07292	23.4
79.05412	30.4
80.09467	0.9
81.06979	38.1
81.07446	1.5
83.08534	4.0
86.09630	100.0
86.62010	0.9
87.09979	1.5
91.05407	13.6
93.06977	26.6
93.07522	1.5
95.04919	4.6
95.08539	25.6
97.10130	1.1
98.98402	1.1
105.06993	8.2
107.08521	9.5
109.10097	7.4
117.06947	1.2
118.40863	0.8
119.08588	5.4
121.10088	6.7
123.11716	1.1
124.99990	8.9
131.08542	2.0
133.10106	1.8
135.11737	2.1
146.98164	83.1
147.11707	1.7
149.13255	1.4
163.01561	1.4
164.99222	1.9
184.07295	16.7
185.07797	1.4
248.43779	1.0
252.02289	1.0
337.59900	1.0
364.95093	1.0
566.34265	0.9
597.48804	7.8
619.46863	76.5
620.47253	7.4
633.00720	1.1
743.32544	1.9
743.46075	67.3
744.47003	6.5
802.53430	73.9
803.53644	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	804.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04970	3.9
57.03368	0.9
58.06535	8.4
63.82758	0.4
65.03844	0.7
67.05422	14.0
69.03358	1.0
69.06986	5.0
70.06508	51.1
71.04888	0.4
71.06865	0.5
72.08065	0.8
74.15578	0.4
79.05404	7.1
80.04930	0.6
81.03337	2.5
81.06978	16.8
82.06483	6.0
83.06030	0.9
83.08551	0.8
84.04430	8.5
84.08057	4.8
85.02832	2.8
86.05988	0.8
86.09625	3.6
91.05428	3.9
91.30927	0.5
93.06976	7.1
94.06516	1.9
95.04899	1.9
95.08525	15.7
96.08055	9.5
97.02843	1.1
97.06496	0.8
97.08839	3.4
98.09646	2.9
101.07074	1.0
105.06992	3.1
107.08497	4.0
108.08062	0.7
109.02879	1.6
109.10097	3.9
109.21310	0.4
110.07104	4.3
110.09606	6.1
114.09089	3.4
115.08659	1.1
117.06945	0.5
119.04896	2.6
119.08570	2.4
120.08050	3.2
121.02821	12.3
121.10045	3.3
123.11617	0.6
124.03901	2.5
124.11188	1.0
127.03925	0.9
129.06615	0.8
133.10127	0.6
135.11684	0.6
136.07571	0.8
140.10695	0.6
145.02856	3.6
145.10124	1.8
159.09210	0.7
166.16025	0.5
171.04440	0.5
177.05522	0.7
179.03366	0.9
187.03859	1.0
189.01823	2.5
191.03482	0.7
194.19073	2.3
203.03468	2.8
207.02847	4.1
215.03235	0.8
217.04987	1.8
219.02934	1.1
220.16922	4.4
221.04434	2.0
222.18484	84.8
223.18826	3.9
226.11674	0.5
227.03439	0.8
229.04990	1.0
233.04378	1.2
236.16345	0.5
238.17972	5.8
240.19519	61.8
241.19936	2.9
243.02843	0.7
245.04478	1.0
255.02893	0.5
256.19022	3.5
258.20587	14.4
281.08228	2.1
282.20624	2.2
283.05963	3.7
291.10065	0.5
292.07339	0.7
294.05151	9.6
295.05939	21.4
296.06772	2.4
297.07446	6.3
298.07910	0.9
305.07993	0.6
307.05930	22.7
308.06567	6.6
309.07498	11.6
310.07932	0.8
312.21820	0.8
313.07132	2.1
317.07993	1.1
319.06061	2.9
320.06876	3.1
321.07471	14.4
322.08084	2.3
323.05551	2.0
323.08914	1.4
324.21561	0.9
325.07013	19.2
325.10635	0.9
326.07489	0.7
327.08554	7.0
329.08215	1.0
331.06058	0.7
333.07458	8.0
334.08353	1.9
335.05545	0.8
335.09076	5.8
336.06149	1.8
337.07001	17.2
337.10880	0.7
338.07401	0.6
339.08557	3.4
345.07462	3.7
347.09244	2.3
349.06915	11.4
350.07407	1.0
351.08511	5.6
355.07990	0.5
359.09372	0.5
361.07007	9.1
363.08591	8.1
365.10236	1.6
366.22769	0.7
367.08093	3.6
373.06906	4.1
374.08252	0.6
375.08612	3.9
377.10583	0.7
379.08075	10.3
381.09634	0.7
384.23807	4.6
387.08527	0.8
389.10446	0.6
391.07993	14.8
393.09821	2.5
402.24820	2.7
403.08093	2.4
405.09772	0.6
409.09048	6.9
415.08276	0.8
421.09140	2.9
427.10135	1.0
433.09317	2.1
439.10721	0.5
445.09326	1.9
457.08670	0.7
463.10358	0.9
469.11890	0.6
475.10007	1.1
481.11075	0.6
493.11444	1.8
511.12772	0.7
546.25110	2.0
558.24878	1.0
576.26044	2.4
594.27051	0.6
600.25928	2.7
612.25861	2.4
618.26935	1.7
630.27002	3.9
648.27692	1.0
666.29199	0.8
684.29840	1.0
714.30719	4.0
750.31152	0.8
768.31946	4.5
769.32269	0.7
786.33099	22.7
787.33722	2.9
804.34131	100.0
805.34399	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	806.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03370	0.1
58.59119	0.0
61.01080	3.4
62.61308	0.1
68.41756	0.1
68.86643	0.1
69.03337	0.3
69.98764	0.0
70.06503	0.2
70.62735	0.1
75.02621	1.7
77.72273	0.1
85.02845	0.1
88.38915	0.1
94.03978	0.2
97.02815	1.2
103.02105	0.3
112.05013	0.1
119.02702	0.1
119.03483	0.4
122.21137	0.1
124.03915	0.3
125.06017	0.1
136.06161	100.0
137.04547	0.3
137.06624	1.2
145.03185	1.1
153.05489	0.1
163.04218	0.9
178.36343	0.1
182.04990	0.1
185.08057	0.1
268.07928	0.1
298.09631	15.9
299.09979	0.5
371.55243	0.1
565.87122	0.1
628.42346	0.1
806.30219	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	806.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03371	5.5
59.04934	0.3
61.02853	9.6
69.03347	17.3
71.01274	0.4
71.04911	2.3
73.02824	4.2
79.83601	0.3
80.45486	0.3
81.02903	0.5
81.03337	7.9
83.01291	0.4
85.02826	100.0
86.03162	1.4
87.04388	2.2
91.03883	4.8
97.02821	29.4
98.03212	0.6
99.04363	3.8
101.02311	0.3
103.03890	1.5
109.02829	22.4
110.03175	0.4
110.36741	0.3
115.03902	0.7
115.22377	0.3
127.03878	23.3
133.02763	0.7
141.05444	8.7
141.06441	0.5
145.04938	30.1
146.05276	0.6
147.04408	1.4
152.05658	1.6
153.05542	0.4
163.05975	12.1
163.07231	0.5
165.05479	0.5
177.05440	2.5
189.05496	0.6
199.79326	0.3
207.06532	2.6
231.06570	0.4
249.07605	0.6
256.22162	0.4
258.80084	0.3
267.08521	3.1
289.09198	2.2
303.10800	0.7
325.11258	13.3
763.79865	0.4
784.57123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03365	17.9
61.31684	3.6
67.05424	100.0
69.06997	34.6
76.55962	3.7
76.56380	3.9
79.05405	86.2
81.06973	81.2
83.08516	5.9
86.09613	15.2
91.05404	80.8
91.06255	4.3
93.06967	84.7
95.04880	8.4
95.08533	62.5
105.06988	71.0
105.26104	4.2
107.08533	41.7
109.10120	14.6
114.02167	3.5
117.06956	20.7
119.08542	60.6
121.10096	33.8
122.09604	4.9
124.99963	8.6
129.06943	4.5
131.08545	31.0
132.39104	4.5
133.10123	47.4
135.11664	19.1
143.08496	8.5
145.10086	23.6
147.11690	30.9
149.13251	9.6
157.10120	5.1
159.11658	27.8
161.13246	18.6
171.11626	5.8
173.13208	5.7
184.07326	29.8
199.14767	5.0
202.76915	4.1
241.19409	9.6
259.20435	38.4
261.21820	5.8
267.89413	4.2
277.13528	4.3
315.23288	4.5
329.61322	4.4
333.24173	24.0
335.25885	37.2
365.30392	4.2
496.84930	4.5
593.45770	4.6
611.46667	34.6
809.52130	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	808.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08094	9.2
62.60531	0.4
64.59594	0.4
67.05422	0.6
69.07000	0.4
71.07294	5.2
81.06987	0.9
86.09633	52.9
87.09969	0.5
90.36062	0.4
92.10982	0.7
98.98389	4.3
103.17032	0.3
104.10672	3.9
124.99970	37.1
143.00992	0.5
174.37906	0.4
184.07318	100.0
185.07671	0.9
237.66577	0.5
650.43884	3.9
690.47009	1.7
772.53882	2.4
790.55670	3.6
808.57123	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	810.5716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03372	32.6
57.06998	2.6
58.71497	2.3
59.06777	2.2
60.05576	2.3
61.02849	2.8
67.05426	100.0
69.06982	38.8
71.04909	3.4
71.08540	2.8
79.05407	58.0
80.72253	2.5
81.06971	93.7
83.04902	5.5
83.08533	14.1
83.68613	2.5
91.05394	47.4
93.06967	71.1
94.49995	2.6
95.04893	6.4
95.08527	70.1
97.06493	4.6
97.10083	6.1
99.07987	3.3
105.06962	47.8
107.08523	38.4
109.06434	4.6
109.10093	26.4
111.07999	2.9
117.06971	14.4
119.08514	35.5
121.10081	17.7
123.11652	3.1
127.67958	2.8
129.06932	6.1
131.08528	17.2
133.10075	24.4
135.11665	16.0
145.10056	18.7
147.11656	18.0
149.13235	5.0
157.10135	2.9
159.11653	11.9
161.13193	12.4
163.18155	2.4
171.11703	5.7
173.13182	4.1
175.14748	3.6
179.14037	3.5
184.07382	2.9
185.13200	5.2
187.14763	3.9
241.19284	4.5
259.20456	9.9
275.18066	2.7
277.21573	16.1
290.13284	2.8
333.24216	10.5
335.25699	3.1
337.27301	67.8
351.25131	28.7
351.32794	2.9
431.32693	2.7
465.15381	3.0
531.39893	3.0
613.48187	53.3
808.51031	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	810.5721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03363	14.0
57.06994	6.3
65.03821	3.3
67.05430	100.0
69.06993	40.0
76.62426	3.2
79.05420	51.0
81.06983	91.6
83.08527	18.0
85.06419	2.6
91.05408	54.1
93.06982	57.9
95.04904	6.3
95.08533	68.9
96.66229	2.7
97.06473	5.4
97.10103	3.5
99.08004	3.2
105.06984	67.7
107.08534	35.0
107.60574	2.8
109.10106	18.5
117.06951	12.7
119.08541	51.9
121.10078	18.7
123.11637	6.0
129.06912	4.3
131.08554	25.8
133.10106	36.3
135.11659	14.3
140.42172	2.9
143.08559	6.2
145.10118	7.2
147.11703	22.5
149.13234	6.2
154.23680	3.2
157.10051	3.9
159.11642	22.2
161.13214	13.0
171.11687	13.6
173.13144	4.7
174.17953	3.0
175.14742	4.0
185.13182	4.4
241.19389	14.6
259.20490	38.4
271.00406	3.2
333.24170	19.2
337.27325	42.9
373.23044	3.1
595.46490	5.9
613.48248	38.0
694.73889	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	810.6082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03354	7.0
59.04919	7.7
67.05426	58.7
69.06979	15.8
79.05426	11.4
81.06982	52.2
83.08526	7.4
87.97690	6.2
91.05406	7.8
93.06973	15.2
95.08521	33.8
105.06978	6.9
107.08526	8.5
109.10098	16.9
122.09590	10.5
149.13292	10.5
157.64656	6.5
175.01468	7.9
187.97183	7.4
306.13226	7.5
337.27200	100.0
599.49780	29.0
617.51093	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	812.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03378	1.3
57.07006	6.2
60.08097	8.8
61.02868	1.3
67.05431	12.9
69.07006	4.8
71.04927	0.6
71.07292	14.8
71.08548	6.3
78.79222	0.8
79.05410	5.7
81.03362	1.0
81.06975	11.4
81.37242	0.7
83.04903	1.1
83.08521	2.7
84.47335	0.7
85.10139	1.7
86.09628	100.0
87.09956	1.0
91.05435	3.3
93.06979	6.3
95.04912	1.1
95.08531	7.9
97.02816	0.8
97.10107	3.6
98.98410	4.1
104.10706	4.9
105.06990	3.1
107.08562	3.9
109.10141	4.3
119.08575	3.0
121.10149	3.3
124.99956	30.3
125.09627	0.9
131.08540	1.0
133.10155	0.8
143.55692	0.9
146.98151	24.5
163.01518	1.2
184.07306	90.0
295.31952	0.8
300.50427	0.9
315.98773	0.8
519.29407	1.7
609.65479	1.0
629.47382	47.4
630.47784	3.9
753.46649	77.4
754.47229	11.4
812.53992	68.2
813.51740	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03370	14.3
57.07008	4.7
58.80467	3.2
65.03829	3.4
65.75372	3.1
67.05078	3.6
67.05431	95.8
68.05756	3.0
69.06995	32.8
74.09609	13.9
79.05415	60.8
81.06973	100.0
83.08532	21.3
91.05400	35.9
93.06978	64.4
95.08534	78.0
97.02806	3.6
97.10126	4.9
105.06963	28.8
107.08531	36.0
107.34032	2.9
109.10110	23.0
117.06969	7.1
119.08526	28.1
121.10080	30.1
123.11652	5.4
129.07048	3.8
131.08537	22.1
133.10085	14.7
135.11676	13.5
137.13240	3.8
143.08501	3.5
145.10120	14.5
147.11661	13.6
149.13202	5.1
159.11626	5.4
161.13226	7.2
163.14789	3.9
173.13231	5.6
184.07332	5.9
243.20966	7.9
261.22098	13.7
317.42233	4.2
335.25583	25.1
337.27228	30.4
338.27374	3.9
532.85846	3.4
597.48187	14.4
615.49774	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03372	16.1
57.07018	9.9
57.36293	0.6
61.02854	1.4
61.82365	0.6
63.55141	0.7
65.03850	3.1
67.05427	100.0
68.05733	1.4
69.03338	0.8
69.06989	32.3
71.04906	1.8
71.08540	5.6
74.09615	2.7
76.56601	0.8
76.74039	0.6
79.05412	53.4
81.03336	1.0
81.06974	97.8
82.07299	1.0
83.04900	1.7
83.08537	18.7
85.02818	1.5
85.06453	3.2
85.10091	1.1
86.09623	1.3
91.05408	32.1
92.10244	1.6
93.06355	1.5
93.06968	72.7
95.04886	6.3
95.08530	73.5
96.08848	1.5
97.06433	6.1
97.10094	8.0
99.08024	2.8
105.06972	27.7
107.08535	34.1
108.08790	0.9
109.06469	3.4
109.10109	20.9
109.17902	0.8
111.08025	2.9
113.09551	0.8
115.03865	0.7
117.06945	11.4
119.08537	20.6
121.10086	25.2
123.07999	1.2
123.11665	8.7
125.09526	1.0
129.06946	3.2
131.08527	21.8
133.10091	15.8
135.11652	16.8
136.11913	0.9
137.09583	0.9
137.13223	3.1
139.11089	1.0
140.29236	0.7
143.08531	3.8
145.10109	13.4
147.11653	11.1
149.09584	1.1
149.13234	10.3
151.14777	1.6
157.10065	3.0
159.11720	7.2
161.13219	9.1
163.14787	8.5
169.10039	0.8
171.11620	3.4
173.13200	7.2
175.14786	5.0
177.16301	3.2
183.11696	0.7
184.07397	1.2
185.13257	1.5
187.14764	4.5
189.16309	1.5
191.17867	0.8
196.05127	0.6
199.14767	1.2
201.16316	1.0
203.17836	0.9
217.19621	0.9
233.22516	1.7
243.21004	10.1
245.22507	1.0
259.20444	1.6
261.22086	16.8
263.23447	1.2
289.25162	0.7
299.23849	1.0
301.25092	1.1
313.23386	0.7
317.24536	1.6
335.25726	25.3
336.25906	1.4
337.27295	38.3
338.27478	1.5
339.28879	1.6
405.40094	0.8
485.36020	1.0
523.44843	3.8
597.48798	16.2
598.48926	1.6
615.49719	64.8
616.49902	6.8
646.42377	0.9
681.50165	0.9
759.53021	0.9
811.55328	0.8
812.53754	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03364	20.8
66.58733	5.5
67.05431	99.2
69.06993	43.3
71.08535	32.8
74.09637	4.3
77.01119	4.4
79.05421	40.0
81.06982	100.0
82.23563	4.7
83.08540	24.8
86.09628	24.8
91.05405	25.4
93.06976	42.2
95.08530	83.4
99.08025	24.2
105.06974	30.3
107.08540	19.4
109.10084	11.6
119.08516	24.6
121.10101	10.0
123.11626	7.4
125.00033	16.9
131.08525	7.9
133.10066	6.0
135.11702	8.5
140.47536	6.2
145.10110	6.6
147.11662	10.3
149.13361	6.1
175.62602	4.5
184.07327	45.3
239.80911	6.1
242.36833	5.4
243.20747	6.6
246.04083	5.8
247.40948	5.2
279.23099	10.0
308.82861	5.3
337.27353	75.9
338.27588	5.6
353.26889	36.2
436.95450	5.4
477.87598	6.1
544.47363	5.9
615.49731	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03377	1.5
57.07018	1.2
57.13848	0.8
57.99136	0.8
60.08069	2.1
61.02865	4.8
67.05421	7.1
69.03346	4.4
71.07284	4.3
73.02821	4.1
76.94027	1.3
79.05403	5.8
81.06971	8.2
85.02837	6.3
86.09622	31.3
87.09970	1.9
91.03889	1.2
91.05413	4.4
93.06982	7.1
95.08532	4.7
97.02831	2.4
98.38249	1.1
98.98438	1.5
101.02320	1.5
104.10696	1.0
105.06979	5.2
107.08539	4.6
109.10096	2.7
119.08518	1.3
124.99946	10.3
146.98193	8.0
184.07309	28.8
243.08379	2.1
253.67853	1.1
275.21619	1.2
519.29547	6.4
535.28625	4.2
629.47516	8.8
630.47809	9.7
753.46344	10.5
754.47107	11.4
812.54132	9.2
813.51166	100.0
814.51160	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	814.557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03379	7.6
57.07014	31.0
60.08087	0.9
67.05433	6.4
69.06984	4.1
71.07293	9.1
71.08549	22.9
81.06973	8.3
83.08526	5.9
83.67874	0.9
85.10117	11.2
86.09628	50.2
95.08520	10.8
97.10113	2.2
102.35522	0.9
103.07516	1.7
104.10674	10.3
106.78268	0.9
109.10093	6.1
111.11649	1.0
119.56292	1.0
123.11693	1.0
124.99953	4.2
146.98161	68.2
160.87659	1.0
164.99213	4.2
184.07317	12.4
185.07622	1.6
257.24640	4.3
313.27310	34.4
314.27634	1.0
399.62363	0.9
435.22903	1.0
459.24725	28.9
503.26959	1.0
518.32117	100.0
519.32196	7.6
552.32941	1.0
722.30908	1.1
760.41602	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.559
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06538	0.5
60.08095	9.8
62.62714	0.1
62.92611	0.1
67.05418	0.6
69.06976	0.2
70.06496	0.1
71.07288	5.0
78.85573	0.1
79.05398	0.1
81.06975	0.5
84.84305	0.1
86.09628	48.7
87.09959	0.7
92.10307	0.2
93.06967	0.2
95.08524	0.2
98.98394	4.9
104.10680	3.7
109.31853	0.1
112.56405	0.1
114.90194	0.1
118.85682	0.1
124.99963	35.7
126.00341	0.2
143.01033	0.9
184.07307	100.0
185.07663	1.6
233.21259	0.1
339.64792	0.1
358.36371	0.1
446.71597	0.1
674.42847	0.8
714.46210	0.6
736.67694	0.2
778.53625	0.3
796.54633	2.3
814.42267	0.2
814.55817	4.4
815.54865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08095	9.5
60.49366	0.2
67.05415	0.5
68.00544	0.3
70.57584	0.2
71.07275	4.5
79.07555	0.2
81.06980	0.4
86.09626	46.3
87.09949	0.4
95.08534	0.3
95.50169	0.3
98.98409	3.7
103.79116	0.2
104.10691	3.5
109.10076	0.4
124.99961	32.5
126.00274	0.3
143.01019	0.5
177.03922	0.3
184.07304	100.0
185.07634	2.0
329.92850	0.3
376.04831	0.3
401.79068	0.3
778.53503	11.5
779.53467	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	814.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06519	0.5
60.07826	0.4
60.08098	7.7
67.05421	0.7
69.06967	0.3
71.07287	4.3
79.05408	0.3
81.06957	0.3
86.09629	46.5
87.09941	0.5
93.06992	0.5
95.08501	0.6
98.98388	4.0
104.10691	3.4
104.91240	0.3
124.99965	33.3
143.01004	0.5
165.39958	0.3
184.07310	100.0
185.07649	1.4
232.42542	0.3
315.37399	0.3
355.27570	0.4
371.51190	0.3
426.36404	0.4
778.53644	12.1
779.53876	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03377	2.2
57.07018	1.6
60.82023	1.6
61.02849	7.5
66.80083	1.6
67.05431	16.4
69.03352	2.5
69.06983	4.4
73.02836	3.2
74.09623	4.2
76.56226	1.8
78.09864	1.7
79.05412	7.5
81.06975	15.2
85.02817	3.2
86.09643	2.5
87.23304	1.7
91.03922	2.0
91.05407	2.7
93.06973	8.0
95.08521	10.4
97.02835	4.2
98.06009	2.8
107.08502	2.0
109.10141	2.1
121.10078	1.8
127.85184	1.7
150.02756	1.8
184.07352	9.6
304.26483	4.0
306.27896	22.7
307.28296	2.0
317.21152	2.2
321.28757	2.2
363.29953	6.4
399.27859	2.8
449.45026	2.1
521.30304	2.5
535.28754	7.4
544.07904	2.0
815.52539	100.0
816.52667	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	816.5736
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06524	0.4
60.08094	8.9
67.05392	0.3
70.53643	0.3
71.07285	5.0
76.56533	0.3
79.05422	0.4
81.06973	0.3
86.09628	49.6
86.23016	0.2
87.09961	0.6
92.10253	0.8
93.06971	0.4
98.98395	3.5
104.10665	3.3
114.56023	0.3
124.99965	35.8
126.09422	0.3
143.01038	0.6
184.07307	100.0
185.07646	2.1
218.78001	0.3
242.60863	0.3
421.36713	0.3
676.44922	0.7
716.47797	1.2
798.56244	1.2
816.57397	4.6
817.57800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.5746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03369	0.3
57.07017	0.2
58.06521	0.4
60.08096	9.6
61.91131	0.2
66.00953	0.2
67.05422	1.4
69.03371	0.2
69.06984	0.4
70.06525	0.2
71.07290	6.2
76.57536	0.2
79.05410	1.2
81.06958	1.5
86.09627	57.9
87.09959	0.5
91.05408	1.2
92.10941	0.6
93.06963	1.4
95.08540	1.0
98.98391	5.0
104.10667	4.2
105.06923	0.3
107.08551	0.5
124.99963	36.0
135.11696	0.3
138.87538	0.2
143.01003	0.5
145.10100	0.2
146.98137	1.2
150.99580	0.2
156.50461	0.2
184.07309	100.0
185.07657	1.7
313.27426	0.3
319.90829	0.3
633.44806	5.7
634.45087	0.5
757.43909	3.6
758.43970	0.5
798.56134	3.8
815.51740	0.9
816.54889	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	817.522
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14375	3.6
63.20119	2.6
65.87435	2.6
68.91859	2.6
81.06984	5.4
98.05954	4.1
126.77265	2.8
131.36005	3.6
184.07353	4.1
304.26190	4.4
306.27740	14.2
338.33533	3.5
531.31592	3.4
532.27698	3.6
644.30341	3.6
817.52081	100.0
818.52667	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	817.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03371	1.3
61.02860	5.0
65.65138	0.4
67.05424	8.9
67.88639	0.5
69.03354	4.1
69.06989	3.3
69.71992	0.4
71.10434	0.5
73.02840	4.1
77.73621	0.5
79.05405	4.2
79.60033	0.5
81.03362	0.7
81.06976	12.3
83.08524	1.9
85.02833	5.5
86.09628	1.2
91.03887	3.1
91.05407	2.7
91.92082	0.6
93.06968	4.6
95.08530	6.6
97.02805	4.7
99.04440	0.7
100.91608	0.5
101.02340	2.2
105.06992	1.2
107.08557	2.7
109.02856	0.8
109.10134	2.4
119.08572	0.8
121.10146	0.6
123.08007	0.6
125.00009	1.0
133.10094	0.8
135.08023	0.6
139.07506	0.6
145.10184	0.7
164.46602	0.6
184.07323	4.5
185.07712	0.8
219.17522	1.1
243.08469	3.1
253.35938	0.6
287.12323	0.5
306.27875	4.3
337.27240	1.2
521.30835	6.0
524.67200	0.6
537.30341	6.6
566.86969	0.7
817.54169	100.0
818.54327	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	818.6192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03372	4.1
57.07011	53.7
62.16688	4.7
64.33401	4.5
67.05425	31.9
69.06982	22.7
71.07280	7.9
71.08545	46.0
73.06470	10.2
77.88905	4.4
79.05415	19.2
81.03319	5.2
81.06971	23.0
83.08536	11.3
85.10094	23.8
86.09617	69.7
87.04395	9.6
89.05949	100.0
91.05407	19.4
93.06976	25.1
95.08527	11.4
97.10073	7.1
105.06992	9.5
107.08551	5.4
109.10106	5.1
117.09098	5.2
121.10118	9.0
124.99960	25.2
133.08563	37.7
146.98183	25.3
177.11218	9.7
184.07280	46.4
185.43544	4.4
246.19827	4.8
275.89981	4.8
299.29282	5.9
299.36942	4.8
355.13150	5.0
635.46484	52.9
636.46545	8.9
759.46130	47.5
760.45905	8.9
818.51471	29.0
819.53333	7.9
846.23859	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	818.6355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07001	3.1
60.04456	95.9
65.65997	1.3
67.05430	19.4
69.06983	12.4
70.06521	1.7
71.08564	1.8
76.31283	1.4
81.06967	20.8
83.08552	10.8
89.11845	1.3
95.08540	23.7
97.10117	3.3
109.10096	10.0
115.39445	1.6
254.28418	22.6
266.28375	8.0
284.29428	71.5
285.29721	2.9
302.30472	100.0
303.30890	3.0
450.85464	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.6345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07009	7.0
60.04455	100.0
60.48667	0.6
67.05425	18.2
69.06642	1.0
69.06985	15.3
70.06511	4.8
71.04912	2.3
71.08544	4.3
77.71084	0.5
79.05420	1.1
81.06970	22.5
83.08533	12.4
86.09612	1.0
88.16393	0.6
90.51564	0.5
92.10278	1.4
93.06958	1.0
95.08529	22.7
97.10093	6.4
104.10668	2.5
109.10103	8.6
111.11679	0.9
123.11668	1.4
124.99962	0.7
184.07385	0.8
240.26788	3.5
252.96786	0.7
254.28358	24.7
266.28317	9.4
270.74011	0.6
284.29413	70.2
285.29675	4.1
302.30472	98.4
303.30750	4.7
482.75238	0.7
579.06622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02846	4.8
62.18841	1.8
67.05421	4.7
67.39479	2.2
69.06984	3.1
72.54883	2.6
81.06973	9.8
83.08546	3.3
85.02827	4.0
86.09632	5.2
93.06974	3.6
95.08515	4.7
95.64744	1.9
96.37181	1.8
97.02808	4.3
144.96552	2.1
171.33948	2.1
184.07312	9.4
206.72668	2.5
239.04364	2.3
339.28839	2.5
412.98010	2.8
523.32196	4.4
537.29590	4.8
819.55682	100.0
820.55334	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	820.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	0.2
65.03854	0.2
69.03340	2.0
70.06514	2.6
71.04928	0.4
75.54965	0.2
81.03329	3.6
84.04409	0.4
84.08057	1.5
85.02825	3.0
86.09625	0.3
89.03819	4.5
91.05405	1.4
92.25430	0.2
97.02818	1.4
99.04371	0.9
109.02850	2.3
110.07095	1.0
117.03322	19.9
119.04908	0.8
124.03894	0.5
124.05262	0.2
127.03870	1.3
134.03580	1.1
135.04393	1.5
140.22459	0.2
145.02818	65.4
146.03130	1.7
147.04422	1.6
149.05946	8.5
151.03828	0.3
162.03078	0.3
163.03853	1.0
175.03864	2.0
177.05429	100.0
178.05774	2.9
186.05548	0.4
195.06467	1.6
207.06447	3.3
321.09625	4.0
332.20523	0.3
339.10648	6.3
358.75186	0.2
390.52179	0.2
501.16119	0.5
509.71390	0.3
518.03510	0.3
846.56689	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5448
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08086	2.2
67.05141	2.2
67.05433	41.5
69.06986	4.1
71.07301	20.5
79.05405	9.9
81.06975	33.4
83.08517	2.5
86.09625	100.0
91.05394	5.4
93.06973	19.8
94.40846	2.1
94.77072	2.1
95.04945	2.2
95.08528	23.3
105.06969	3.2
107.08549	5.3
109.10066	4.2
117.07029	2.6
119.08573	2.5
121.10073	3.1
124.99950	12.8
131.08511	2.6
146.98158	52.2
179.18938	2.6
184.07310	30.1
185.07764	3.7
293.80911	2.2
501.92245	3.4
637.47943	69.9
638.48505	5.3
668.38641	2.8
761.47058	93.6
762.46729	12.9
820.40338	3.6
820.54431	76.6
821.54333	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	820.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03394	1.3
57.07004	1.7
63.60195	1.2
65.03873	1.9
67.05430	34.6
69.06989	5.6
71.07288	17.6
72.38909	1.2
72.85808	1.2
74.48129	1.3
79.05412	14.6
81.06975	32.5
83.08523	1.9
86.09631	79.3
91.05420	11.8
93.06983	13.5
95.08536	20.0
105.06976	5.4
107.08546	9.3
109.10103	6.8
119.08586	2.3
121.10123	2.4
123.11573	1.7
124.99930	2.6
131.08580	2.1
133.10120	1.9
135.11684	1.8
145.10083	2.8
146.82718	1.5
146.98169	42.3
147.11655	1.5
164.99368	1.9
184.07262	13.2
637.47931	100.0
638.48279	10.0
641.83167	1.5
761.47083	78.1
762.46722	8.4
820.54333	60.9
821.52258	6.1
835.90186	1.7
838.89148	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	821.6362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03371	0.2
58.06540	0.3
60.08092	7.8
63.19852	0.2
64.07264	0.2
67.05417	0.2
71.07282	2.3
75.33638	0.2
81.06973	0.8
86.09621	40.5
87.09930	0.5
95.08521	0.3
98.98386	2.8
99.00906	0.2
104.10669	3.9
124.99952	29.2
143.00992	0.9
157.61417	0.2
184.07291	100.0
185.07582	1.1
198.82196	0.2
448.86346	0.2
480.60074	0.2
484.37070	0.3
502.32495	1.3
506.40768	0.2
520.33838	16.9
521.33990	1.0
673.70325	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53242	1.5
59.04922	3.2
60.08071	1.4
60.54120	1.6
61.02864	19.1
66.71715	1.7
66.72130	1.5
67.05430	98.9
69.03330	3.2
69.06976	8.5
71.04900	3.0
71.08549	28.6
71.20174	1.3
73.02819	6.7
79.05376	3.3
81.06974	23.0
83.08553	18.9
85.02821	20.4
85.06451	2.8
85.10106	18.5
86.09610	3.8
91.03869	13.2
91.05405	3.6
92.63246	1.7
93.06950	3.7
95.04925	2.1
95.08536	28.5
97.02805	9.8
105.06936	2.2
107.08501	2.1
109.10107	100.0
111.08032	3.3
119.08505	9.1
124.99971	2.0
132.30530	1.6
137.09538	1.9
145.04900	2.8
155.10542	2.0
173.11700	27.3
184.07275	11.4
185.04356	1.7
229.14323	92.6
230.14561	2.9
239.23642	2.3
313.27295	96.2
314.27475	3.0
410.49811	1.9
467.30740	2.9
467.37259	65.3
468.37558	3.4
826.89618	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	828.5824
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36082	1.3
61.45273	1.1
65.03865	1.7
67.05425	99.1
68.05760	1.8
69.03346	3.0
69.06982	32.7
71.04898	1.9
71.07301	1.8
71.08553	14.3
74.20911	1.3
79.05409	63.7
80.05740	1.4
81.03345	3.0
81.06973	100.0
83.04927	5.5
83.08540	17.1
85.02836	2.2
85.06451	2.5
85.94385	1.4
86.09629	12.8
91.05402	36.2
93.06969	72.5
94.07213	1.5
95.04887	10.6
95.08528	71.9
97.02827	2.6
97.06450	8.9
97.10104	13.8
99.08021	10.9
105.06963	29.9
107.07863	2.5
107.08540	47.1
109.06459	5.5
109.10111	33.8
111.08038	3.1
117.06986	13.2
119.08536	19.9
121.06580	1.6
121.10088	23.9
123.08079	2.5
123.11652	6.7
124.99940	7.3
125.09567	10.1
129.06978	2.9
131.08527	18.9
133.10057	15.1
135.11670	15.7
137.09579	2.7
137.13210	1.8
137.78653	1.6
141.95592	1.6
143.08563	5.6
145.10075	13.8
147.11658	8.7
149.13234	8.4
151.11172	2.2
155.08519	1.6
157.10109	2.9
159.11682	7.1
161.13245	7.8
163.11179	2.1
163.14798	6.1
169.10065	1.9
171.11557	2.4
173.11748	1.5
173.13194	5.2
175.14754	3.0
181.10052	1.5
183.11725	1.7
184.07286	32.5
185.07506	1.8
185.13225	2.0
187.14772	3.1
189.11147	1.9
218.36131	1.5
227.12808	6.1
233.78777	1.6
243.20996	10.2
261.22107	15.0
277.21545	6.2
279.23117	6.9
317.24963	2.0
335.25720	33.4
337.27356	17.2
351.25162	7.8
353.26758	25.8
613.48157	49.4
614.48535	2.5
617.89246	1.6
631.48615	6.3
721.49518	2.1
739.51868	2.1
769.45239	2.4
786.14606	1.9
828.54291	3.5
829.50311	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	828.5823
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08094	4.2
61.02858	2.1
67.05429	98.0
69.03338	2.4
69.06989	27.2
69.46772	2.2
71.04912	2.3
71.08543	38.6
78.74303	2.1
79.05407	69.5
81.03325	4.4
81.06503	4.2
81.06972	100.0
83.04888	3.7
83.08527	12.3
85.06465	5.3
85.10114	5.4
86.09624	27.5
91.05405	46.1
93.06438	3.4
93.06971	77.2
95.04880	11.7
95.08521	66.3
97.10101	8.7
99.08044	17.4
105.06971	40.3
106.23240	2.2
107.08536	48.9
109.10105	29.1
113.09612	2.8
117.06947	11.9
119.08531	22.8
120.39197	2.3
121.10110	26.6
123.11647	5.6
124.99938	16.7
131.08521	25.7
133.10065	15.7
135.11629	17.6
143.08533	4.2
145.10103	14.1
147.11656	22.6
149.09610	3.0
149.13213	10.7
157.10118	2.9
159.11652	9.7
161.13188	5.2
163.14851	3.8
173.13210	9.0
184.07317	59.1
187.14798	5.1
243.21031	10.5
245.15004	2.4
261.22086	16.3
266.01254	2.4
279.23059	12.4
335.25726	59.8
347.29141	2.4
353.26761	29.0
489.88046	2.9
503.36563	2.8
527.36462	3.0
570.52112	2.8
613.48096	38.2
614.47339	2.9
631.49036	4.5
752.07617	3.3
829.49957	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	830.5976
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05428	89.6
68.05739	2.8
69.06986	38.1
71.04893	2.7
71.08546	17.4
79.05412	26.9
81.06975	100.0
82.07313	3.7
83.04909	2.7
83.08530	19.7
85.02770	1.8
85.10098	12.9
86.09621	7.4
91.05415	22.1
93.06969	42.1
95.04887	2.2
95.08530	82.5
97.06455	7.4
97.10102	10.4
99.08006	12.8
105.06979	18.0
107.08534	23.7
109.10097	30.3
111.08041	3.6
113.09566	13.7
117.06992	2.2
119.08518	17.0
121.10113	18.7
123.11652	9.6
124.99980	9.5
125.09569	2.0
127.20690	2.1
129.84512	2.0
131.08551	4.4
133.10094	15.2
135.11658	11.8
137.13222	2.9
145.10104	4.3
147.11673	14.6
149.13275	10.4
151.11229	2.5
161.13252	3.7
163.14796	3.5
165.12750	3.8
173.13153	2.6
181.15913	2.2
184.07280	18.1
203.09567	1.8
243.21143	6.9
261.22055	3.2
263.23495	2.6
279.23157	22.4
337.27307	63.2
338.27649	9.4
353.26807	37.2
371.27850	9.5
379.06973	2.0
395.30185	2.4
400.76181	1.8
441.28000	2.1
473.25522	1.8
492.37323	2.2
533.41467	2.3
614.47882	2.4
615.49634	39.5
616.49817	3.2
633.50726	24.2
634.51221	3.3
831.52362	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	831.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08102	0.9
61.02856	3.8
65.75154	0.4
66.17977	0.4
67.05431	7.3
69.03348	2.9
69.06992	0.6
71.04971	0.5
71.07285	0.7
71.08554	0.7
71.25377	0.3
73.02842	3.6
74.45592	0.4
79.05416	4.1
81.03354	0.8
81.06965	8.3
83.08532	0.6
85.02831	3.4
86.09626	8.5
87.09953	0.4
91.03899	2.2
91.05413	3.2
93.06970	5.1
95.04890	0.6
95.08537	5.7
97.02833	2.7
97.06485	0.6
98.98425	0.9
99.04382	0.5
99.08059	0.9
101.02347	2.6
104.10712	0.7
105.07005	2.2
107.04892	0.5
107.08534	3.3
109.10123	2.0
117.06966	0.6
119.08571	1.7
121.10123	2.4
122.09610	0.7
124.99978	5.3
127.03925	0.5
131.08566	1.0
133.10152	0.9
135.11678	0.8
145.10089	0.4
149.13261	0.7
166.30817	0.4
179.14337	1.0
184.07301	14.3
184.08856	0.6
185.07724	0.9
243.08357	3.4
317.20825	3.5
373.23550	0.5
420.36111	0.5
535.28687	10.3
536.29279	0.7
537.30389	8.8
593.83246	0.5
830.51239	2.1
831.52161	100.0
832.52466	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	832.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46500	0.5
60.08099	8.4
61.53971	0.6
64.46542	0.5
66.01591	0.5
67.05447	1.1
69.06996	0.6
71.07287	4.4
81.06966	1.0
86.09629	51.1
87.09927	0.6
95.25263	0.5
98.98383	5.3
104.10670	4.0
109.10093	0.6
124.99969	33.7
133.10051	0.7
169.11987	0.5
184.07312	100.0
185.07623	0.9
265.82281	0.6
674.43506	0.9
714.45752	2.5
796.54456	2.4
814.55280	2.7
832.56726	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	833.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08114	3.0
61.02862	6.1
65.75286	1.3
65.93372	1.4
67.05431	10.0
69.03352	2.3
69.06989	2.2
73.02825	2.8
76.56266	1.5
79.05424	7.0
81.06985	13.0
84.49001	1.6
85.02844	2.9
86.09608	12.6
91.03864	2.0
93.06980	3.9
95.08553	7.4
97.02855	2.5
97.19271	1.6
107.08561	3.1
109.10098	2.1
117.06968	1.9
124.99950	13.2
139.54387	1.5
184.07297	28.9
198.18646	1.7
201.50191	1.5
212.39128	1.8
243.08388	2.8
388.96167	1.6
537.30334	18.5
833.53802	100.0
834.54895	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	833.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42970	0.9
60.08091	1.2
61.02846	2.1
67.05424	9.6
69.03378	1.9
69.06981	1.6
73.02821	2.0
74.24909	1.1
79.05409	6.3
81.06968	9.4
83.08520	1.2
85.02833	5.3
86.09624	11.9
91.05400	2.1
93.06976	7.3
95.08549	8.6
96.72518	1.1
97.02811	1.8
100.90307	1.2
101.02313	1.2
105.07007	1.4
107.08611	1.8
119.08552	2.1
121.10040	1.4
124.99980	6.4
144.58669	1.1
145.10144	1.2
184.07301	24.1
198.18517	11.1
243.08543	4.1
261.22226	1.4
473.23422	1.4
537.30280	16.0
567.86633	1.3
725.27954	1.3
833.53644	100.0
834.54132	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	833.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08114	3.0
61.02862	6.1
65.75286	1.3
65.93372	1.4
67.05431	10.0
69.03352	2.3
69.06989	2.2
73.02825	2.8
76.56266	1.5
79.05424	7.0
81.06985	13.0
84.49001	1.6
85.02844	2.9
86.09608	12.6
91.03864	2.0
93.06980	3.9
95.08553	7.4
97.02855	2.5
97.19271	1.6
107.08561	3.1
109.10098	2.1
117.06968	1.9
124.99950	13.2
139.54387	1.5
184.07297	28.9
198.18646	1.7
201.50191	1.5
212.39128	1.8
243.08388	2.8
388.96167	1.6
537.30334	18.5
833.53802	100.0
834.54895	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	833.537
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54765	0.9
61.02851	4.4
67.05432	8.6
67.47714	1.0
69.03346	1.5
69.06994	1.8
71.07308	1.0
72.77146	0.9
73.02848	2.2
79.05430	4.1
80.05769	1.2
81.03328	1.6
81.06960	7.8
81.26256	1.1
83.08562	1.1
85.02834	5.6
86.09639	5.9
91.03903	1.3
91.05405	1.6
92.10236	1.8
93.06966	2.6
94.92846	1.0
95.08553	6.6
97.02840	2.5
97.10117	1.1
99.08057	1.3
107.08549	1.8
109.10143	1.5
119.08525	1.2
121.10088	1.4
124.99937	2.1
131.08565	1.1
135.11630	1.5
147.11731	1.5
147.56708	1.1
163.71660	1.1
172.26886	1.1
184.07355	8.6
186.90521	0.9
216.59393	1.2
243.08434	1.6
290.38525	1.1
335.22092	1.9
507.42856	1.1
521.31030	1.9
537.30603	5.1
553.29950	5.7
560.43054	1.1
775.44104	4.4
779.51910	1.4
793.21429	1.2
832.53247	4.5
833.53662	100.0
834.54376	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	833.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50600	0.5
61.02856	4.0
67.05432	3.7
67.50365	0.5
69.03349	2.8
69.06989	1.2
71.04916	0.7
73.02837	3.4
79.05425	2.8
80.32329	0.5
81.03354	0.8
81.06967	7.1
83.08582	0.5
85.02818	6.2
85.40067	0.6
86.09668	0.8
91.03886	0.7
91.05405	1.0
93.06435	0.5
93.06981	4.0
95.04916	0.7
95.08573	4.4
97.02846	5.1
97.10119	0.7
99.04368	0.8
101.02305	1.0
105.06985	1.4
107.08554	2.4
109.10120	2.7
112.79219	0.6
119.08567	0.8
121.10114	1.0
122.09663	2.9
124.99972	0.8
133.10085	0.9
135.11703	0.9
158.20029	0.6
184.07394	1.2
214.55762	0.7
243.08466	1.5
244.73962	0.7
271.74451	0.6
314.37875	0.6
335.22009	3.8
506.58179	0.6
517.11304	0.6
521.04272	0.8
521.30695	5.3
553.29700	10.2
572.95502	0.7
659.03491	0.8
781.90356	0.8
832.53546	1.4
833.53674	100.0
834.53864	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	833.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02858	4.7
67.05429	8.1
69.03362	3.5
69.06987	1.4
71.04867	0.6
71.08545	1.4
73.02840	3.9
79.05408	3.9
81.06982	8.4
81.69479	0.7
83.08553	0.8
85.02835	4.6
86.09641	1.3
89.98648	0.7
91.03893	3.4
91.05421	1.7
93.06976	5.0
95.04965	0.8
95.08536	6.5
97.02844	4.4
101.02372	1.5
102.83695	0.7
105.06989	3.1
107.08562	3.0
109.10155	1.6
117.06963	0.7
119.08547	1.3
121.10103	1.6
122.09643	1.7
124.99965	1.2
131.08522	1.0
145.10098	0.8
147.11723	1.2
149.13213	0.7
184.07372	4.0
243.08292	1.9
252.97096	0.7
310.13156	0.9
319.22672	1.4
519.29071	1.4
537.30048	14.3
555.31061	1.0
584.17267	0.8
763.50427	0.9
832.52728	1.4
833.53687	100.0
834.54132	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	835.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82101	0.7
61.02858	7.2
61.12273	0.6
62.23078	0.5
66.08840	0.6
67.05431	7.6
69.03360	3.8
69.07005	1.4
71.04915	1.1
71.08553	1.3
71.98242	0.6
73.02842	3.7
74.28940	0.8
75.54304	0.6
77.61469	0.6
79.05418	3.5
81.03333	1.1
81.06977	8.5
81.07292	0.6
83.08547	1.5
85.02840	5.0
86.09628	1.4
88.27451	0.6
91.03901	1.6
91.05384	2.5
91.15615	0.6
93.06988	2.9
95.08525	5.5
97.02825	5.4
99.04398	1.0
101.02320	1.1
107.08553	1.6
109.10123	1.4
110.73539	0.7
119.08563	1.3
121.10172	0.8
127.03886	0.7
133.10094	1.0
134.45206	0.7
156.12379	0.8
158.28159	0.7
170.42821	0.8
171.48882	0.7
204.39732	0.7
243.08363	2.9
337.23578	4.6
395.98962	0.7
496.24847	1.0
521.30743	5.8
555.31366	8.7
556.31555	1.1
637.79254	0.7
777.43030	1.1
834.53595	7.0
835.55188	100.0
836.55359	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	838.556
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05429	19.7
67.48911	1.6
69.03328	1.7
69.06988	9.3
71.07292	18.4
71.08548	2.4
79.05422	7.9
79.13808	1.7
81.06976	16.8
83.04925	2.0
83.08530	3.9
86.09628	81.6
93.06978	4.7
95.08532	12.5
97.10073	2.8
98.18771	1.9
100.74128	2.3
105.06932	3.5
109.10079	2.4
112.81933	2.4
123.11581	1.8
124.99951	2.6
125.09573	2.0
146.98137	38.6
152.46109	2.2
168.07964	1.9
186.56557	1.8
189.40332	2.4
196.50572	1.8
234.12605	2.2
258.43982	2.7
277.68637	1.9
447.35693	2.3
466.09018	2.0
503.53235	2.2
511.39828	2.4
655.48907	100.0
656.49066	7.3
778.45538	3.8
779.48187	83.8
780.48065	8.3
838.55646	83.5
839.54395	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	842.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04929	1.0
61.02855	16.8
62.06017	29.7
65.03881	0.8
67.05424	29.0
69.03355	9.3
69.06986	15.8
71.04906	0.9
71.08546	22.6
73.02820	5.7
79.05403	16.5
81.06977	27.2
83.04900	4.0
83.08537	39.2
84.08902	0.6
85.02821	18.1
85.06462	1.7
85.10111	11.2
86.09628	1.0
89.05959	0.9
89.15076	0.6
91.03890	10.1
91.05398	1.6
93.06970	7.4
95.08539	18.3
97.02823	8.7
97.10102	81.2
98.10404	0.8
99.04383	1.4
101.09625	1.1
103.07532	0.8
105.06997	1.3
107.08537	19.7
109.06476	0.7
109.10112	15.0
111.08039	1.0
117.06947	1.6
119.08511	1.1
121.10115	1.2
123.11678	2.7
125.09588	62.8
127.03867	2.9
133.66402	0.6
135.08034	8.5
135.11621	0.7
143.10678	4.5
145.04985	3.0
153.09058	5.1
163.06027	1.6
171.10135	3.6
172.10367	0.7
184.07265	0.8
189.11183	40.9
227.12740	100.0
228.13107	2.8
239.23633	1.6
245.13789	83.0
246.14114	3.0
257.24802	2.4
306.30603	0.7
313.27304	71.0
314.27798	3.8
321.14954	0.9
324.28949	13.1
360.23257	0.8
483.36728	56.8
484.36829	1.6
530.03595	0.9
662.49194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04941	0.1
61.02858	1.4
61.27420	0.1
65.03864	0.4
67.05441	0.2
69.03349	8.8
71.04913	0.7
73.02828	0.4
74.61859	0.1
79.05402	0.8
81.02930	0.1
81.03339	1.2
83.04897	3.4
85.02827	3.1
86.09628	0.3
87.04401	0.6
91.03883	0.4
91.05405	5.5
93.06978	0.2
95.04903	0.2
99.04391	0.9
103.03873	0.3
103.05408	0.5
104.06187	0.5
105.06985	1.6
106.39344	0.1
107.08537	25.3
108.08887	0.7
109.06487	1.3
109.72656	0.1
111.04383	2.3
111.62920	0.1
115.05420	0.2
117.06960	1.3
119.08535	100.0
120.08863	2.5
127.03896	0.2
129.05431	2.5
133.06473	1.9
135.08017	26.8
136.08385	0.7
137.33478	0.1
140.71844	0.1
145.10002	0.2
147.06491	1.4
163.77629	0.1
173.09596	0.2
184.07280	0.6
252.64265	0.1
281.13794	3.4
287.17026	0.1
295.11560	0.6
312.32571	0.1
415.21075	12.4
416.21356	1.0
444.54504	0.1
669.31805	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	846.5925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15575	0.6
60.08089	1.2
61.02852	1.4
65.03852	1.3
67.05427	98.0
68.05778	1.0
69.03362	1.4
69.06987	36.8
71.04901	4.2
71.07286	0.7
71.08549	9.0
73.02818	0.8
79.04951	1.5
79.05406	36.8
80.05692	0.7
81.03342	4.2
81.06974	100.0
82.07305	0.9
83.04882	5.7
83.08533	26.3
83.09003	1.2
83.55675	0.7
85.02840	1.5
85.06471	4.3
85.10098	1.2
86.09624	14.0
91.03846	0.9
91.05405	22.6
91.05941	1.4
93.06973	43.6
95.04904	7.0
95.08533	61.8
97.06459	9.6
97.10091	11.8
98.98357	0.8
99.08026	4.9
104.10690	0.9
105.06977	16.2
107.04897	1.6
107.08538	26.3
109.06467	3.0
109.10113	35.4
111.08022	8.3
111.11700	0.8
113.09559	1.3
117.06960	7.4
119.08553	12.1
121.10102	16.0
123.08012	1.0
123.11659	8.9
124.99951	7.3
125.09602	3.9
127.03818	1.0
129.06967	0.9
131.08516	7.0
133.10114	12.9
135.11612	8.5
137.09586	1.1
137.13277	1.7
139.11136	1.0
141.16353	0.9
143.08498	1.2
145.10117	3.0
147.11673	10.8
147.98184	0.8
149.09602	1.0
149.13214	11.7
151.11174	5.8
157.10153	1.1
159.11674	4.6
161.13197	6.0
163.11182	2.8
163.14748	2.7
165.12706	3.1
173.11752	3.0
175.14828	1.8
179.14267	0.8
184.07309	28.5
185.13176	0.8
189.11166	1.3
189.16364	0.9
195.13773	1.8
227.12819	1.7
229.14297	11.0
241.19556	0.9
245.22638	1.5
263.23630	4.4
269.17413	18.1
277.21603	7.9
295.22595	1.5
295.85101	0.9
337.27307	80.1
338.27646	3.7
351.25217	8.5
369.26224	5.7
491.37097	14.5
531.40350	69.9
532.40796	6.5
549.41058	0.8
613.48175	20.1
631.41638	0.9
631.49384	13.3
632.49335	1.3
675.44556	1.6
846.49585	1.2
847.51685	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	846.5935
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08089	0.9
61.02861	1.4
65.03864	1.3
67.05429	100.0
68.05754	1.2
69.03357	1.1
69.06989	34.0
69.20743	0.7
71.04911	3.6
71.08544	9.8
73.02850	0.8
79.05409	37.6
80.58508	0.6
81.03342	3.9
81.06976	99.0
82.07311	0.8
83.04893	5.0
83.08541	26.4
85.02825	3.0
85.06467	4.0
85.10112	1.0
86.09652	5.6
91.05406	25.1
93.06973	48.6
95.04902	7.4
95.08536	59.8
96.08876	1.1
97.02802	1.1
97.06480	9.2
97.10102	12.5
99.08041	8.5
105.06968	17.6
107.04810	0.7
107.08539	27.7
109.06464	3.8
109.10110	38.8
111.08016	9.4
111.11655	0.9
113.09621	0.8
117.06945	5.3
119.08537	15.5
121.06447	1.2
121.10100	17.3
123.08025	0.9
123.11642	10.3
124.99953	4.2
125.09599	4.7
129.06949	1.3
131.08540	6.0
133.10095	15.7
135.08032	1.2
135.11662	10.1
137.09634	1.6
137.13239	1.7
139.11116	1.0
143.08528	1.1
145.10107	4.9
147.11642	7.5
149.13242	12.4
151.11150	8.3
151.14853	0.9
155.08585	0.8
155.10654	0.9
157.10049	0.9
159.11685	4.5
161.13234	6.2
163.11145	1.5
163.14809	3.6
165.12738	3.2
167.14236	1.6
173.11743	5.8
173.13109	0.9
175.14848	3.1
177.12715	1.4
179.14302	3.2
184.07300	12.8
185.13181	1.3
189.11098	1.1
189.16357	1.0
195.13876	2.7
217.55547	0.8
227.12697	6.2
229.14313	18.3
230.14618	0.9
245.22615	2.9
263.23566	2.8
269.17389	29.1
277.21536	9.4
295.22556	3.5
335.25787	0.9
337.27301	59.4
338.27618	5.4
351.25259	13.7
369.26331	8.7
370.26178	0.7
491.37350	17.8
492.37659	1.1
531.40356	67.0
532.40845	8.0
549.40771	1.0
613.48199	18.9
614.48676	1.0
631.49268	16.7
632.49750	1.7
675.43964	3.2
846.49371	1.2
847.52808	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04916	2.2
61.02853	14.4
61.29534	1.9
67.05427	100.0
69.03329	2.9
69.06985	16.6
71.04903	2.7
73.02811	3.9
79.05394	12.0
81.06962	40.2
83.08542	16.2
85.02819	17.5
86.09612	3.8
91.03904	3.8
91.05399	13.4
93.06963	13.7
93.07512	1.8
95.04912	2.3
95.08527	30.7
97.02831	9.5
97.10107	3.0
105.07008	3.8
107.08538	8.0
109.09396	3.6
109.10103	82.2
114.50609	2.1
119.08525	12.5
121.10042	3.8
135.11658	2.3
137.09610	3.3
147.11639	2.9
155.10672	2.9
169.10063	2.1
173.11678	19.8
181.50786	2.2
229.14275	69.3
245.22554	2.8
263.23730	2.3
337.27255	51.8
491.37241	54.7
509.37726	2.7
616.22034	2.2
778.42633	2.6
850.52594	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	850.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04922	4.5
61.02851	13.6
65.03854	1.7
67.05427	100.0
69.03339	1.8
69.06987	15.0
71.04897	1.5
73.02824	4.1
74.90141	0.9
75.43865	1.0
79.05419	11.0
81.06972	40.2
83.08536	13.4
85.02826	12.6
85.06451	4.3
86.09632	1.8
91.03856	7.4
91.05393	12.7
93.06961	12.1
95.08531	27.8
97.02825	6.3
97.10114	2.3
105.06979	6.8
105.60179	1.0
107.08549	8.0
107.81275	0.9
109.10110	74.4
110.10461	1.0
111.08035	3.8
119.08536	7.1
121.10101	4.1
123.11665	4.6
126.40569	1.1
127.03838	1.3
128.49614	1.0
133.10110	2.3
135.11620	1.9
137.09628	1.8
145.04878	1.8
147.11678	2.0
154.12321	1.0
155.10664	1.8
155.91885	1.0
161.13216	1.4
163.06010	1.2
173.11722	17.4
175.14795	1.1
184.07298	3.6
212.79056	0.9
229.14314	55.6
245.22652	1.2
263.23596	2.3
280.39682	1.1
337.27313	48.3
338.28009	1.6
491.37189	65.7
492.37262	2.3
509.38098	1.4
643.83612	1.0
667.45178	1.3
791.44116	1.2
849.54053	1.2
850.52759	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	851.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06519	0.4
96.91329	0.2
116.55975	0.2
119.08511	0.2
121.90978	0.2
130.06708	0.2
170.61678	0.2
182.27492	0.2
193.34528	0.2
300.87558	0.2
303.12018	2.7
314.01984	0.2
422.78134	0.2
437.19266	100.0
438.19617	6.5
549.65430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.397
Annotation	Unknow
Peak:m/z	Relative Intensity
67.46769	0.4
84.41037	0.5
86.09608	0.7
104.10680	2.9
126.58487	0.4
184.07355	1.0
241.22411	0.6
252.09109	0.5
303.12033	5.8
437.19284	100.0
438.19568	5.8
458.64273	0.5
462.94174	0.5
488.32635	0.6
586.70728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.397
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54515	1.5
67.60372	1.6
72.25029	1.2
81.58578	1.5
86.09615	5.4
89.73829	1.1
90.10374	1.3
100.60047	1.2
104.10664	13.2
105.10976	1.4
114.37325	1.3
117.60895	1.5
125.53123	1.2
181.62015	1.3
303.11859	5.8
437.19257	100.0
438.19373	7.2
559.03650	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30611	0.4
59.73871	0.4
61.02855	4.5
67.05434	7.0
69.00076	0.4
69.03362	4.5
69.06986	3.3
71.08573	1.6
73.02840	3.8
79.05408	4.6
81.03349	1.9
81.06976	8.0
83.04910	0.5
83.08559	1.8
85.02824	5.1
87.04414	0.6
89.96710	0.5
91.03894	3.3
91.05383	1.7
93.06999	2.7
95.08527	4.9
97.02802	3.8
97.10123	0.7
99.08006	0.6
101.02344	1.8
105.06984	0.9
107.08556	2.3
109.02823	0.6
109.10139	3.1
112.74228	0.5
119.08617	0.8
123.11707	1.1
125.09628	0.8
127.03915	1.0
133.10123	0.6
141.97966	0.4
184.07385	0.6
197.93666	0.4
229.14348	0.5
243.08502	3.4
337.27444	0.9
353.23080	2.9
385.20679	0.5
435.27130	0.5
493.38785	0.8
521.30908	7.9
571.30884	6.6
829.87628	0.6
833.24817	0.5
851.54749	100.0
852.55017	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	851.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02858	6.2
67.05429	7.3
69.03355	3.4
69.06976	2.7
71.01237	0.4
71.08560	0.6
73.02831	4.0
79.05413	3.0
81.03345	2.0
81.06978	7.6
83.08552	1.7
85.02821	6.5
86.09621	0.6
91.03890	3.9
91.05422	1.9
92.10892	1.0
92.49224	0.5
93.06982	2.8
95.04919	0.6
95.08533	4.5
97.02818	5.2
97.10112	0.7
99.04359	0.8
101.02309	2.2
103.03931	0.5
105.06979	0.7
107.08560	2.0
109.10099	2.5
119.08529	0.5
121.10094	0.6
123.11720	0.5
127.03899	1.0
133.10132	1.1
184.07367	0.6
203.05241	0.8
243.08327	3.1
337.27393	2.2
353.22971	4.0
431.57681	0.5
521.30853	7.4
571.30859	6.9
672.32855	0.5
851.54706	100.0
852.55005	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	867.237
Annotation	Ormocarpin
Peak:m/z	Relative Intensity
69.03359	2.2
73.02869	1.6
74.03469	1.6
75.75092	1.5
85.01128	1.6
85.02845	8.8
97.02840	2.7
117.22511	1.5
124.94359	1.5
127.03913	2.0
139.62491	1.5
145.05009	2.0
160.76100	1.4
161.02965	1.9
174.82883	1.6
245.05110	6.9
273.08185	2.3
354.10913	3.2
363.07111	2.8
381.08072	2.2
495.05191	1.9
525.12390	7.2
543.13538	10.6
551.19855	1.9
556.13727	2.3
599.47705	2.0
614.21362	2.3
642.74268	1.8
705.18555	11.1
721.94189	1.8
867.23578	100.0
868.24530	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	867.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06499	1.8
76.56310	0.8
86.09602	1.1
91.76173	1.0
92.10883	2.4
96.63451	0.8
102.64257	0.7
106.47324	0.9
127.26674	0.8
145.07657	0.8
148.11148	0.9
150.49702	0.7
358.82861	0.8
453.16644	100.0
454.16977	7.7
586.21625	0.8
682.10541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82528	0.3
64.33259	0.3
76.38684	0.3
91.26189	0.3
114.37000	0.3
118.08602	5.1
134.82356	0.3
153.56586	0.3
169.05025	0.4
191.17108	0.3
200.07785	0.7
279.02966	0.4
285.68973	0.4
381.07919	6.1
390.65814	0.4
543.13147	100.0
544.13452	6.8
706.49811	0.4
918.07959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02804	0.1
80.49836	0.0
85.02814	0.2
94.03975	0.1
119.03500	0.3
124.24168	0.1
127.60121	0.1
136.06155	100.0
137.04526	0.2
137.06606	1.1
152.05728	0.1
168.99251	0.1
173.28291	0.1
224.21172	0.1
265.85504	0.1
268.10339	15.9
269.10617	0.3
308.36511	0.1
329.36337	0.1
740.37549	0.1
910.87317	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05415	4.6
67.39882	0.5
69.06985	4.0
71.08189	0.8
71.08551	17.9
78.40416	0.5
81.06979	6.7
83.08539	4.7
85.10109	9.0
89.57621	0.6
92.10889	1.2
92.57388	0.6
95.08536	10.4
97.10098	2.9
98.98421	6.8
104.10673	1.2
109.10137	4.4
123.11642	0.7
124.01598	1.2
136.99503	0.6
142.73358	0.6
155.01009	5.3
172.95262	0.6
173.02016	0.9
198.05257	0.6
239.23582	0.8
282.27878	13.8
288.88022	0.7
313.27322	100.0
314.27637	5.1
351.45306	0.5
393.24109	5.8
436.28201	27.0
437.28210	1.0
454.29196	36.1
455.29477	2.6
769.41223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97063	0.4
67.05432	4.1
69.06989	5.2
71.08542	18.9
72.44061	0.5
81.06970	7.5
83.08539	6.2
84.39747	0.4
85.10110	10.8
86.09634	0.6
89.05933	2.4
93.31003	0.4
95.08534	10.7
97.10091	4.1
99.11658	0.5
103.07525	1.7
109.10098	5.8
111.11711	0.5
117.09114	0.6
123.11656	2.2
137.13263	0.6
153.88704	0.4
167.34802	0.4
180.70239	0.5
182.99577	0.4
239.23637	1.7
257.24643	3.3
282.27817	3.3
313.27301	100.0
314.27518	3.4
454.29141	4.1
532.71857	0.6
539.69824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
66.47560	0.6
67.21728	0.6
69.03362	4.8
70.06509	25.3
71.04932	0.6
71.06847	0.8
72.08063	2.4
81.03337	2.9
83.06027	1.2
84.04424	11.4
84.08073	5.0
85.02818	8.0
86.09612	6.5
88.75395	0.6
89.03845	8.6
89.94534	0.7
91.30327	0.6
91.79176	0.7
95.43124	0.6
97.02821	3.5
101.07089	2.8
103.05434	0.9
106.02866	1.4
109.02824	3.0
109.64029	0.7
110.07127	7.3
112.08613	0.7
115.08645	2.6
117.03326	28.8
119.04901	3.1
120.08041	3.9
121.02828	5.6
124.03915	5.6
127.03876	1.2
129.06589	1.3
129.10185	5.1
131.04930	0.7
134.03592	0.9
135.04379	2.8
136.07553	1.1
137.05949	0.9
145.02823	79.0
146.03200	2.8
147.04405	0.8
149.06003	9.3
151.03885	1.2
163.03790	0.9
175.07516	1.3
177.05435	100.0
178.05779	1.6
186.05524	0.8
201.05569	1.0
203.03325	0.8
205.04779	0.7
207.02898	0.8
207.06358	1.2
219.06544	1.3
221.04376	0.9
222.51018	0.7
226.11902	0.9
268.08002	1.0
271.05914	1.3
281.08096	1.0
283.05884	4.8
294.05115	2.9
295.05951	7.0
297.07663	0.9
301.06891	0.9
307.05911	6.5
308.06796	1.3
309.07529	2.6
313.07004	2.9
321.07248	6.1
325.06970	5.8
333.07568	2.6
335.08875	1.3
337.06992	9.7
339.10822	7.5
345.07300	1.2
349.06900	4.3
351.08337	2.7
361.06927	2.6
363.08517	1.5
367.07928	3.0
379.08066	4.5
385.09064	1.5
391.07953	4.1
403.08102	1.2
409.08987	1.2
427.09766	1.1
511.11548	0.8
529.13104	0.8
555.12964	1.2
585.13617	4.0
603.14966	3.8
621.16235	5.9
651.16888	6.9
652.16400	0.7
675.16968	7.8
676.17303	1.0
687.16199	1.2
705.17896	7.2
723.19183	10.1
863.64545	1.0
902.25781	0.8
903.27368	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.6787
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05404	0.6
69.06979	1.1
70.06507	6.4
72.60056	0.2
75.87172	0.2
81.06961	1.4
82.06503	5.4
83.04901	3.1
83.08535	18.4
84.04404	1.8
84.08079	2.6
85.06487	1.9
94.06509	0.3
98.09631	3.6
100.07549	10.2
100.11183	100.0
101.02383	0.2
101.11508	1.4
110.05988	2.8
111.04386	13.7
112.07545	4.1
112.11173	0.6
112.54394	0.3
115.08711	0.3
117.13836	1.8
120.08089	0.3
124.07529	0.4
126.09094	3.6
127.08637	3.1
128.07039	12.0
129.05399	0.4
139.08621	6.8
140.07016	4.6
144.54089	0.3
147.11618	1.0
149.13257	0.5
164.14363	1.7
166.15897	1.8
168.13765	0.3
174.12860	0.4
182.15366	49.3
183.15681	1.4
190.97353	0.3
192.13828	2.4
209.14417	0.4
209.14960	0.7
209.16455	37.1
210.14854	60.6
211.15181	2.0
226.11993	0.4
226.19107	7.7
227.17542	4.7
228.15862	4.6
308.27014	0.7
309.21902	0.4
309.25214	3.2
326.27960	7.6
327.28006	0.4
335.24429	1.8
336.22723	6.4
337.21133	2.2
343.30646	3.5
417.31854	0.4
434.34906	0.3
435.33060	2.7
436.31631	0.4
452.35815	3.5
453.34232	3.5
454.33298	0.3
552.45044	2.3
569.47681	1.2
678.52667	0.5
887.66650	7.2
888.67334	1.2
905.67780	88.2
906.68140	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	924.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03346	0.1
73.02845	0.1
74.09637	0.0
79.12886	0.0
85.02838	0.1
94.03990	0.3
112.05058	0.1
119.03500	0.3
136.06168	100.0
137.04546	0.3
137.06584	1.2
152.05635	0.1
166.07225	0.1
170.05721	0.2
210.02419	0.1
268.10361	18.2
269.10727	0.4
348.09177	0.1
466.55682	0.1
873.64142	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6286
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03851	0.8
68.94402	0.6
71.08555	1.3
72.04439	1.4
75.39507	0.7
83.04894	4.1
87.89352	0.7
91.05424	3.2
102.09122	3.2
116.10696	5.4
119.08534	1.5
130.12253	1.1
141.07050	1.0
147.02058	1.1
147.11670	9.8
151.01489	0.7
159.08034	0.8
174.41525	0.6
175.01622	0.7
179.26952	0.8
223.05121	7.5
241.06367	0.8
244.99687	3.8
247.50552	0.7
271.20557	0.8
279.11267	1.0
294.49252	0.7
310.30954	1.2
311.31137	1.2
312.32559	100.0
313.32974	3.7
321.02664	0.8
377.09125	1.2
433.15256	5.0
509.18652	2.5
565.24811	1.2
621.21759	1.3
621.31042	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	933.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05432	6.4
69.06649	0.4
69.06991	5.5
70.06544	0.4
70.34675	0.3
71.08549	19.2
74.34258	0.3
75.04387	0.3
79.05417	0.8
81.06976	10.1
83.04914	0.3
83.08537	6.1
85.09628	0.6
85.10107	11.1
89.05949	0.6
91.27081	0.3
92.10855	0.6
93.06977	0.7
95.07954	0.6
95.08536	13.5
95.09148	0.5
97.10101	3.3
98.98402	29.0
99.11642	0.5
103.07526	0.4
105.06986	0.5
107.08566	0.4
109.10098	6.0
111.11649	0.4
111.64471	0.3
112.99970	8.4
116.99459	1.4
121.10088	0.6
123.11662	2.2
125.61257	0.3
126.67906	0.3
131.10721	0.3
137.13281	0.6
155.01018	15.1
169.02605	4.4
173.02084	3.0
190.21695	0.3
191.46042	0.3
223.50652	0.3
239.23657	1.7
247.05693	0.5
252.64255	0.3
257.24667	0.7
263.23727	0.4
313.27316	100.0
314.27661	3.8
337.27261	1.6
393.23901	1.9
449.26538	14.8
467.27106	0.4
644.07104	0.4
930.55347	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05435	6.6
69.06699	0.4
69.06993	5.7
69.82773	0.3
71.08549	17.4
75.04373	0.6
77.57136	0.3
79.05405	0.5
81.06980	9.3
83.08544	5.5
85.10104	9.9
85.10577	0.6
93.06996	0.6
95.08533	12.2
97.10120	3.0
98.98397	25.9
99.11649	0.4
99.95335	0.4
103.07503	0.5
104.10612	0.4
107.02997	0.3
107.47244	0.4
109.10103	5.1
112.99971	4.2
116.99466	2.0
123.11649	2.4
127.01823	0.3
128.88475	0.3
135.11679	0.4
153.92534	0.3
155.01021	11.4
169.02585	3.2
173.02057	3.4
184.07378	0.6
191.21886	0.4
239.23672	2.1
247.05754	0.8
257.24829	0.4
278.37299	0.4
313.27319	100.0
314.27646	3.5
337.27234	3.3
342.72275	0.4
393.24112	3.1
449.26590	16.2
449.32901	0.6
450.27078	0.4
467.27658	0.3
528.19067	0.5
715.20001	0.4
779.08191	0.4
884.54724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.6452
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05427	59.2
69.03345	3.5
69.06992	25.0
71.08543	34.0
73.02821	8.5
79.05402	11.4
81.06504	3.1
81.06974	70.4
81.07447	2.6
83.04880	2.0
83.08533	27.2
85.02830	24.0
85.06423	1.6
85.10107	20.1
91.03884	14.1
91.05399	11.1
93.06978	18.0
95.08526	75.4
97.02799	14.0
97.06470	2.5
97.10094	10.6
105.06982	4.1
107.08535	9.8
109.10101	27.2
119.08530	2.0
121.10093	8.8
123.11659	10.4
133.10114	7.1
135.11667	6.9
137.13223	2.5
145.04987	2.3
147.11685	2.9
163.05998	2.7
175.14821	2.0
238.43022	1.7
245.22534	3.4
247.78232	1.7
257.24716	2.2
263.23694	10.5
313.27313	100.0
314.27429	1.9
337.27298	69.5
338.27750	3.1
462.94659	1.8
575.41382	2.9
575.50281	80.9
576.50348	7.6
593.51434	2.1
700.41235	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	938.5723
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05426	5.6
69.06985	5.1
71.04897	0.3
71.08544	19.2
72.08865	0.2
73.06445	0.1
73.75521	0.1
75.04381	0.2
76.56824	0.2
79.05411	0.4
81.06972	8.6
83.04904	0.2
83.08534	6.4
85.06435	0.2
85.10101	11.5
89.05951	2.3
93.06918	0.4
95.08533	12.0
96.08855	0.2
97.06463	0.2
97.10106	3.7
98.98399	0.6
99.11660	0.7
103.07514	2.1
109.10098	5.4
111.11674	0.7
117.09116	0.5
121.10122	0.2
123.11675	2.3
124.01543	0.6
125.13228	0.3
131.10645	0.2
135.11678	0.2
137.13243	0.9
151.14861	0.2
153.12746	0.2
155.01093	0.2
165.16351	0.2
216.06401	0.3
230.46463	0.1
239.23566	2.0
250.14619	0.2
257.24701	3.8
263.68188	0.2
275.25668	0.2
282.27832	3.7
313.27304	100.0
314.27628	4.2
370.24799	0.1
393.23779	0.2
436.28052	0.9
454.29175	4.9
561.81879	0.2
708.06635	0.2
779.82263	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.5999
Annotation	Unknow
Peak:m/z	Relative Intensity
66.52927	1.1
67.05419	2.9
69.03358	2.5
73.02827	2.0
74.32069	1.3
81.07004	2.0
83.08576	1.2
85.02839	6.0
91.03905	2.6
95.08555	1.4
97.02859	4.8
109.02843	1.9
109.10100	1.3
127.03904	1.6
138.13799	1.1
189.45316	1.1
227.69019	1.2
268.75635	1.2
347.09488	4.4
405.13773	7.6
497.31137	5.0
521.30817	7.0
659.35889	4.9
683.36255	8.9
777.55322	1.7
871.44537	1.4
939.59961	100.0
940.60645	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	940.567
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58375	1.3
67.05427	17.7
69.06982	9.6
71.08566	1.3
76.07551	16.7
79.05396	9.9
81.06979	22.8
83.08522	3.0
91.05415	2.9
93.06976	7.9
95.08524	16.5
95.55177	1.2
104.10700	1.4
105.06986	3.1
105.93787	1.4
107.08550	6.0
109.10085	6.8
119.08573	2.7
121.10119	2.6
123.11629	2.8
131.21355	1.7
135.11708	2.0
230.07863	2.0
257.34750	1.7
274.67340	1.5
320.29315	1.6
337.27295	79.5
338.27533	3.1
474.29825	28.4
492.30798	100.0
493.30701	7.0
507.26233	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	944.5977
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05418	0.1
70.06495	0.1
71.07288	2.4
71.08539	0.3
81.06958	0.1
83.08521	0.1
84.08098	0.1
85.10099	0.1
86.09627	35.6
87.09947	0.4
92.67016	0.1
95.08511	0.2
97.10097	0.1
98.47672	0.1
98.98399	2.6
103.41598	0.1
104.10683	3.3
109.10087	0.1
110.49930	0.1
116.99390	0.1
124.99962	25.3
126.00363	0.1
141.31456	0.1
143.01028	0.6
156.64180	0.1
184.07307	100.0
185.07664	1.0
313.27344	0.5
478.32947	1.5
496.33896	18.2
497.34213	1.1
520.39545	0.1
963.40234	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	944.5976
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07291	5.0
71.08544	2.5
81.06971	0.4
85.10113	0.9
86.09628	55.1
95.08532	1.6
98.98395	3.7
104.10682	88.7
105.11029	0.9
109.10101	0.5
124.99966	31.3
138.48920	0.4
143.01059	0.5
163.01451	0.7
184.07306	100.0
185.07643	1.0
258.11026	0.7
313.27267	2.2
320.17294	0.4
419.25494	0.7
478.32730	6.6
496.33914	64.8
497.34219	4.6
896.83826	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.5969
Annotation	Unknow
Peak:m/z	Relative Intensity
67.10477	0.4
71.07294	6.6
71.08554	1.1
81.06972	0.8
85.10105	0.7
86.09628	54.4
92.10249	1.1
95.08508	0.8
98.98389	3.2
103.29469	0.5
104.10683	97.3
105.10983	0.9
108.12101	0.5
113.89210	0.6
124.99963	32.4
143.66667	0.5
154.21411	0.5
163.01508	0.9
184.07309	100.0
185.07758	0.7
313.27325	3.9
474.97617	0.6
478.32935	6.4
496.33902	61.0
497.34070	6.1
629.32623	0.5
748.93329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5936
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05426	0.9
69.06982	0.5
71.07295	6.5
71.08562	2.0
72.79568	0.2
79.05335	0.2
81.07000	1.0
83.08566	0.2
85.10122	1.3
86.09634	54.0
92.10189	0.5
93.06993	0.3
95.08540	1.9
96.45907	0.2
98.98407	3.4
104.10691	85.6
105.11038	1.3
109.10096	0.4
124.99976	30.7
138.69736	0.3
143.01076	1.1
163.01563	1.3
184.07323	100.0
185.07690	1.1
190.69623	0.2
258.11038	1.0
285.24164	3.9
303.46951	0.2
320.79819	0.3
391.22440	0.4
450.29776	5.7
451.29922	0.4
468.30814	60.1
469.31274	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	949.6249
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07286	2.6
86.09626	34.3
92.64218	0.3
98.98378	2.7
104.10698	3.0
120.14342	0.3
124.99958	24.2
143.00941	0.3
182.76105	0.3
184.07303	100.0
185.02232	0.3
185.07663	1.8
201.10626	0.3
214.45082	0.3
235.06523	0.3
264.06903	0.3
267.70801	0.3
328.70178	0.3
415.94116	0.3
478.32843	1.4
496.33881	19.2
497.34033	0.6
549.56073	0.3
627.68237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6246
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05434	0.8
69.06989	0.5
70.06492	0.1
70.23391	0.1
71.07291	5.3
71.08552	1.9
81.06985	0.9
82.26112	0.1
83.08542	0.6
85.10101	1.0
86.09629	50.7
87.09949	0.5
92.10235	0.4
95.08524	1.1
97.10133	0.2
98.97755	0.1
98.98399	3.2
104.10685	85.2
105.11014	0.9
109.10114	0.4
116.99509	0.1
119.68351	0.1
124.99966	29.1
143.01028	1.0
156.58525	0.1
163.01485	1.0
167.17976	0.1
181.02594	0.5
184.07315	100.0
185.07695	1.3
190.96390	0.1
199.03732	0.1
208.60434	0.1
258.11044	0.9
274.41608	0.1
283.26379	0.2
306.24518	0.1
313.27322	2.7
314.27884	0.1
419.25546	0.6
478.32870	6.0
479.33389	0.5
496.33926	61.6
497.34259	3.2
678.04419	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.5827
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05426	4.7
69.06995	2.0
70.06512	4.1
71.07349	0.3
71.08518	0.2
72.08068	100.0
72.31862	0.2
73.08411	0.5
79.05416	1.6
81.06977	4.9
83.08549	1.2
86.09622	2.6
90.09124	3.2
91.05391	0.8
93.06989	1.5
95.08541	4.3
97.06495	0.3
98.98402	0.3
104.10683	3.3
105.07005	0.5
107.08553	1.4
109.10124	1.1
119.08551	0.5
120.08093	0.2
121.10128	1.1
123.11558	0.4
124.99955	1.1
133.10126	0.5
150.46175	0.3
161.13290	0.3
170.05714	3.1
176.99239	0.3
184.07310	3.7
184.08739	0.3
194.71434	0.3
195.00256	0.4
250.03745	0.4
313.27393	1.3
337.27274	10.8
461.08176	0.3
471.24615	0.3
488.31305	6.0
506.32346	17.0
507.26102	2.2
507.33325	0.6
520.33954	2.6
722.34686	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.5828
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05424	5.0
69.06982	2.7
70.06516	3.9
71.08553	0.4
72.08072	100.0
73.07755	0.2
73.08402	0.6
79.05425	1.6
81.06976	5.0
83.04929	0.2
83.08537	1.4
86.09643	1.0
90.09115	3.7
91.05403	1.0
92.64188	0.2
93.06984	1.5
95.08535	4.1
97.06454	0.3
97.10122	0.8
104.10674	2.0
105.06996	0.4
107.08521	1.3
109.10120	1.5
119.08563	0.3
121.10108	0.7
123.11658	0.4
124.99989	0.8
133.10107	0.7
135.11682	0.2
149.13222	0.2
161.13322	0.2
170.05736	4.8
176.99248	0.3
184.07315	1.9
195.00339	1.1
223.47412	0.2
232.73099	0.2
244.09407	0.8
268.96771	0.2
275.68213	0.2
306.98273	0.3
313.27335	0.4
337.27310	13.3
338.27704	0.8
471.24738	0.4
488.31332	8.0
489.31369	0.4
506.32355	21.1
507.26810	2.6
507.32956	0.8
520.34045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6153
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05425	90.8
69.06983	24.2
73.02814	4.7
79.05409	62.2
81.06973	100.0
85.02822	22.5
89.68894	3.4
91.03874	23.3
91.05397	32.8
93.06976	72.1
95.04903	6.5
95.08534	73.1
95.65603	3.3
96.32274	3.8
97.02816	7.6
105.06971	26.5
107.08505	25.1
109.10113	26.5
110.86686	3.1
117.06979	13.1
119.08534	23.1
119.89912	3.7
121.10056	28.0
123.11634	7.0
131.08533	21.0
133.10129	25.3
135.11668	19.8
145.10098	17.5
146.08997	3.8
147.11665	16.4
158.87523	3.9
159.11658	16.4
161.13190	5.4
163.05980	5.1
171.11554	5.8
173.13179	7.7
175.14745	3.6
175.84351	3.8
242.98773	3.4
259.20471	7.7
261.22110	21.1
333.24197	7.6
335.25784	74.6
337.27271	8.4
434.46359	4.6
595.46686	16.7
613.48053	20.1
953.57465	5.3
954.57593	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	956.6292
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05073	2.8
67.05428	81.6
69.03345	2.9
69.06984	27.1
71.08554	1.5
73.02821	6.3
79.05407	45.4
81.06975	100.0
82.07306	1.6
83.08540	18.1
85.02827	24.0
91.03876	9.9
91.05408	27.7
93.06966	59.6
95.04897	7.9
95.08531	69.4
97.02808	12.9
97.06453	3.0
97.10088	9.2
98.80161	1.5
99.08009	2.2
105.06976	20.2
106.07282	1.4
107.08530	27.1
107.43786	1.5
109.10100	26.9
111.08025	2.6
117.06931	3.3
119.08521	14.5
119.09223	1.4
121.10098	21.9
123.11636	10.7
125.09635	1.5
127.03818	1.7
129.06969	1.7
131.08481	13.9
133.10086	14.7
135.11667	15.9
137.13205	2.7
143.08531	1.9
145.04933	1.6
145.10110	10.0
147.11661	13.3
149.13257	8.4
159.11638	8.9
161.13248	6.3
163.05966	3.0
163.14790	2.3
169.77028	1.7
171.11641	1.8
173.13206	3.0
173.60382	1.5
175.14813	2.4
243.21109	3.6
259.20526	2.6
261.22107	18.5
263.23651	1.9
306.45093	1.7
317.24866	1.8
333.24429	1.8
335.25745	45.6
337.23599	2.3
337.27319	48.4
338.27386	1.7
339.28613	2.2
597.48694	31.7
615.39850	2.4
615.49701	48.0
616.50043	2.3
978.56390	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	961.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05447	3.9
69.03368	4.3
69.07010	0.9
70.27984	0.7
70.84989	0.6
73.02845	4.9
74.64983	0.6
76.12375	0.6
79.05421	3.1
81.03336	0.9
81.07000	3.3
85.02839	5.1
91.03891	3.4
91.05429	0.8
93.06994	1.4
95.08568	3.4
97.02825	6.0
101.02323	0.8
105.06979	0.7
105.53919	0.7
107.08530	0.9
125.21560	0.7
127.03891	1.3
130.90356	0.8
156.39990	0.6
243.08545	1.3
279.38434	0.8
347.09702	3.7
365.10687	1.2
405.13629	6.9
416.98187	0.8
519.29633	4.4
521.31201	3.7
533.54565	0.8
681.34009	7.6
683.36407	4.7
799.52301	0.8
961.58466	100.0
962.58734	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	962.5716
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05135	1.8
67.05435	33.7
67.72908	1.9
69.06995	21.9
79.05399	10.7
81.06982	45.4
83.08530	4.6
91.05397	7.8
93.06952	13.7
95.08531	25.0
97.10072	2.4
98.98378	12.5
104.10666	4.7
107.08527	8.6
109.10095	10.2
119.08521	3.6
121.10088	8.1
123.11683	3.3
151.93774	2.6
161.13150	2.3
184.07346	4.0
216.06311	4.3
217.88629	2.1
234.90567	2.2
263.23648	3.1
285.75885	2.0
306.27866	11.9
337.27319	100.0
338.27704	2.1
339.58289	2.2
340.71475	2.2
397.13449	1.9
399.10214	2.4
415.66068	2.2
417.23697	2.8
460.28003	35.9
478.29272	65.0
479.29889	3.2
764.50330	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	966.5815
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05425	6.2
69.06981	2.8
71.07283	6.4
71.08554	17.2
73.38840	1.2
78.37173	1.2
80.08410	1.1
81.06969	9.7
83.08559	2.2
85.10108	10.4
86.09628	48.7
95.08539	13.2
97.10076	2.2
99.92537	1.3
104.10672	6.8
109.10104	1.9
146.98161	63.5
164.99170	2.5
184.07245	12.2
270.46478	1.6
313.24036	2.4
313.27316	37.3
362.55264	1.4
391.69629	1.4
459.24683	22.6
518.32074	100.0
519.32080	5.4
635.05402	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	968.5989
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05433	4.3
68.48370	0.3
69.06974	2.2
70.06508	0.4
71.07292	7.6
71.08537	2.8
79.05408	0.7
81.06989	5.0
83.08522	1.8
85.10115	1.7
85.53187	0.3
86.09625	63.7
87.09954	0.3
91.05420	0.5
93.06963	1.6
95.08529	5.1
95.91585	0.3
97.10105	0.4
98.98392	7.8
104.10677	91.9
105.06989	0.4
105.11012	0.7
107.08514	0.8
108.90061	0.3
109.10102	1.8
109.83443	0.3
116.99471	0.4
123.11659	0.5
124.99961	36.8
125.76073	0.4
133.10118	0.4
143.00989	0.9
155.01016	1.5
163.01511	0.7
181.26093	0.4
184.07303	100.0
185.07722	0.8
223.44843	0.3
265.21658	0.4
313.27307	17.5
317.08618	0.4
327.79095	0.5
337.26996	0.7
348.14566	0.4
363.10767	0.4
443.25272	0.6
449.26291	0.8
492.30551	0.8
502.32901	6.6
520.33887	66.0
521.34393	3.7
672.46057	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5659
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05129	0.3
67.05430	4.9
69.03321	0.2
69.06989	4.1
71.04900	0.3
71.07270	0.3
71.08545	18.2
72.08892	0.3
75.04379	0.9
78.96233	0.2
79.05392	0.5
81.06971	8.5
83.08534	5.7
85.06468	0.3
85.10105	11.8
86.09622	2.9
89.05949	1.1
93.06938	0.5
95.08533	12.5
97.10081	2.8
98.98395	29.9
99.11668	0.4
101.20525	0.3
103.07498	0.6
104.10683	3.3
109.10104	5.1
111.11605	0.3
116.99451	1.7
123.11668	2.5
124.99941	1.9
125.13228	0.6
136.99965	0.3
137.13203	0.5
139.14725	0.3
142.87587	0.2
146.98145	1.0
150.49384	0.2
155.01009	15.4
173.02045	3.3
184.07314	5.9
211.03648	0.4
223.51500	0.2
223.96968	0.3
229.04738	0.4
239.23668	2.1
247.05618	1.1
257.24670	0.5
311.22037	0.3
313.27307	100.0
314.27634	6.4
356.19370	0.3
393.24039	2.5
449.26572	16.0
449.32864	0.5
450.26865	1.0
467.27505	1.0
496.34015	0.3
518.32312	0.4
520.33765	2.1
521.34320	0.9
927.49164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5671
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05426	4.4
69.06984	4.2
71.08546	17.0
75.04395	0.3
79.05419	0.7
81.06972	7.4
83.08533	5.4
85.06512	0.4
85.10101	11.7
86.09636	1.7
89.05971	1.1
93.06980	0.4
95.08530	11.1
97.10101	3.0
98.98393	27.9
99.08016	0.3
103.07531	0.6
104.10671	2.2
109.10097	5.1
111.11671	0.3
116.99451	1.8
123.11626	2.7
124.99942	1.2
136.99992	0.3
137.13248	0.7
151.14832	0.3
155.01012	14.5
173.02068	3.1
184.07330	3.0
212.85399	0.3
229.04601	0.3
239.23608	2.0
247.05730	0.7
253.80112	0.3
257.24747	1.0
313.27310	100.0
314.27679	4.1
393.24023	2.1
449.26538	15.2
467.27615	0.7
520.33752	0.6
521.34039	0.5
538.28284	0.4
651.86115	0.3
679.98749	0.3
752.27905	0.3
874.94098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.6087
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06992	1.7
70.06501	0.3
71.07292	5.6
79.05396	1.0
79.44884	0.2
81.06982	1.6
83.08523	1.7
86.09630	54.0
87.09933	0.4
91.11291	0.3
93.06971	1.2
95.08530	1.5
97.10084	0.3
98.98402	3.6
104.10684	83.8
105.11040	0.4
105.35213	0.2
107.08573	0.4
109.10139	0.3
111.08042	0.6
115.70883	0.2
121.00368	0.3
121.10092	1.4
124.18568	0.3
124.99967	30.5
135.11678	0.5
143.01039	0.4
163.01508	0.4
170.91028	0.2
181.02538	0.9
184.07314	100.0
185.07733	0.6
208.54733	0.2
258.11032	0.5
311.25809	1.5
337.27167	0.3
456.52478	0.3
476.31265	7.1
494.32349	67.9
495.32806	2.8
664.28741	0.3
696.03619	0.3
753.19055	0.3
840.78607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.586
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06975	4.0
69.40083	0.7
71.08533	9.7
72.04429	18.4
79.05415	3.6
79.62637	0.9
81.06966	7.9
82.59290	0.9
83.04900	1.0
83.08533	1.6
91.91344	0.8
92.10261	1.1
93.06979	8.1
95.04867	1.2
95.08533	7.5
97.06450	1.0
97.10105	0.9
99.08016	4.1
105.06970	1.8
107.08522	4.3
109.06467	3.7
109.10105	1.9
114.09119	1.7
119.08534	1.6
121.10086	1.7
122.38192	0.9
123.11641	1.0
128.10651	3.3
131.91792	0.8
133.10072	1.6
142.12265	0.8
149.13181	1.4
151.11186	0.9
154.12312	0.8
165.12756	6.7
168.13792	0.9
175.14801	1.1
209.87711	1.0
212.13710	0.9
238.21594	14.0
256.11029	0.9
291.23138	11.9
318.27869	0.8
336.28891	100.0
337.29196	1.4
541.49860	0.9
674.35815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.6251
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03352	3.9
69.06974	25.9
71.08538	5.7
79.05401	39.4
81.06979	59.2
83.04868	5.1
83.08533	13.9
85.02817	4.8
91.05409	41.1
93.06963	55.0
95.04874	5.5
95.08539	53.4
99.08022	6.0
104.98008	3.4
105.06979	40.6
107.08531	29.8
109.06466	3.6
109.10119	22.0
116.60379	3.0
117.06929	5.1
119.08527	27.0
121.10088	20.1
121.13715	3.5
129.44785	3.1
131.08533	6.4
133.10078	17.4
135.11656	17.0
143.08572	3.6
145.10066	7.1
147.11636	11.3
148.18416	3.0
149.13249	5.0
151.11145	5.8
159.11591	3.9
161.13196	7.7
163.11166	3.2
168.15147	3.1
174.80695	3.2
179.14348	24.1
193.15895	3.1
230.66174	3.2
259.20499	6.0
277.21536	19.7
290.51337	3.7
333.24176	3.5
337.27356	39.1
351.25119	29.9
506.21637	3.6
536.49854	3.5
540.39771	4.3
569.28473	3.6
613.48126	100.0
614.48120	4.4
640.41400	3.2
691.47064	4.7
972.57819	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	972.625
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03350	3.1
69.06985	32.9
71.04918	2.9
73.02814	4.2
79.05407	73.5
81.03323	2.9
81.06976	87.9
83.04894	2.2
83.08526	17.5
85.02831	18.0
88.22256	1.4
91.03880	14.5
91.05405	69.9
93.06969	72.8
94.07296	2.3
95.04900	17.6
95.07954	3.5
95.08530	70.5
96.08877	2.1
97.02831	12.9
97.03369	1.8
97.06448	6.7
97.10107	7.7
105.06971	77.5
107.08536	42.0
107.09196	2.5
109.06456	2.7
109.10114	27.9
111.08057	1.7
115.05386	2.2
117.06973	20.6
118.07987	1.9
118.99352	1.9
119.08533	61.1
121.10110	28.9
123.11666	8.5
129.06934	8.9
130.07698	2.2
131.08522	33.0
133.10091	44.0
135.11662	18.4
137.13187	1.7
141.06906	2.2
142.07780	2.1
143.08549	13.6
145.10114	26.2
147.11656	32.2
149.09589	2.1
149.13249	9.4
157.10074	9.4
159.11679	21.6
161.13242	21.8
163.14828	3.1
169.10085	2.5
171.11644	12.7
173.13280	8.3
175.14796	7.2
183.11670	3.1
185.13277	9.6
187.14743	3.5
199.14764	3.8
213.16267	2.3
231.21111	2.6
241.19423	12.0
257.18936	3.3
259.20544	48.6
261.22064	3.0
315.23193	2.3
333.24252	26.8
335.25815	14.9
337.27304	47.2
344.70752	2.2
373.99033	1.8
389.50720	2.0
595.47217	17.4
613.48132	100.0
614.48212	10.1
703.48529	2.6
721.50488	3.1
722.49640	2.1
773.52148	1.9
971.56885	4.0
972.59235	12.6
973.56183	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	972.6248
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06982	24.1
71.04890	2.5
73.02815	3.7
79.04957	3.0
79.05408	72.2
81.03331	2.2
81.06505	3.8
81.06973	100.0
83.04897	2.2
83.08536	14.3
85.02834	17.3
89.67856	2.0
91.03877	11.4
91.05401	46.4
93.06970	76.4
95.04881	9.2
95.08528	73.5
97.02830	4.4
97.10085	2.2
104.80454	1.8
105.06970	37.3
105.80189	2.4
107.08533	36.2
109.10115	29.5
111.08013	3.1
115.05353	2.2
117.06965	15.8
119.08522	38.4
121.10072	27.6
123.11631	4.2
127.03880	2.9
129.06927	8.6
131.08530	37.1
133.10077	22.5
134.02432	2.3
135.11635	22.9
139.36298	2.2
143.08534	6.8
145.04771	2.3
145.10123	20.1
147.11682	20.2
149.13211	13.2
157.10048	3.9
159.11713	13.8
161.13197	9.7
163.14830	3.8
169.10069	2.3
171.11624	4.6
173.13205	9.4
175.14809	3.1
177.16409	2.4
185.13240	4.0
187.14775	4.5
243.21066	8.0
245.22511	2.2
259.20483	9.1
261.22015	14.5
317.24472	2.7
322.77045	2.4
333.24033	3.1
335.25690	49.4
337.27219	10.6
409.60785	2.3
449.21893	2.3
521.43256	8.0
543.40527	2.5
595.47186	18.5
613.48065	86.1
614.48114	9.5
625.49066	2.3
703.48267	3.3
721.49915	2.4
757.52631	3.2
949.12573	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	974.6404
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05758	1.4
69.03349	2.6
69.06988	34.9
71.04913	1.7
71.08553	2.6
73.02825	6.7
79.04951	2.3
79.05406	57.2
81.03370	2.1
81.06975	97.1
83.04908	2.6
83.08540	17.0
85.02818	13.0
85.06447	2.3
85.10108	1.8
91.03881	9.6
91.05408	33.7
92.64465	1.6
93.06973	65.1
95.04897	9.1
95.08533	74.4
95.09155	2.6
97.02812	8.4
97.06464	5.4
97.10098	8.6
99.08002	4.1
105.06979	31.8
107.04897	1.3
107.08531	37.0
109.06450	1.5
109.10104	29.0
111.08027	2.1
113.09621	1.4
117.06967	13.4
119.08532	27.4
121.06409	1.2
121.09300	2.0
121.10101	28.4
123.11674	10.8
127.03854	4.1
129.06934	4.4
131.08537	22.4
133.10075	17.4
135.11678	13.4
137.13219	2.4
143.08560	1.6
145.04993	1.7
145.10115	16.2
147.11676	9.8
149.09633	1.7
149.13252	12.6
151.14809	2.2
157.10117	2.2
159.11661	8.8
161.13205	10.3
163.06003	2.2
163.14757	7.0
170.32498	1.2
171.11642	4.1
173.13226	11.2
173.14502	1.2
175.14766	6.2
177.16307	1.3
187.14828	4.5
189.16324	1.8
197.13268	1.8
201.16364	1.6
233.22452	1.8
243.21033	11.2
245.22395	1.3
258.18280	1.1
261.22107	14.0
263.23724	1.8
299.23721	1.1
323.21005	1.2
335.25729	26.0
337.27316	42.8
339.28687	1.7
351.66769	1.3
404.67139	1.2
445.82263	1.3
479.30273	1.6
503.37015	2.3
517.38470	1.3
523.45001	2.3
597.48676	17.6
615.49780	100.0
616.49701	7.4
741.53033	2.0
759.53790	2.1
879.45032	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	976.5879
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06642	0.8
69.06984	9.9
70.06520	0.6
74.41851	0.5
76.07546	16.6
79.05398	5.5
81.06970	23.1
83.04870	0.7
83.08527	4.8
86.09652	1.3
86.22053	0.6
91.05399	3.5
93.06959	5.9
95.08524	17.4
97.10087	2.7
104.10682	4.9
105.06990	1.4
105.16940	0.7
107.08543	4.5
109.10121	5.5
119.08511	1.3
121.10076	3.9
123.11648	2.7
133.10110	1.5
135.11647	2.3
156.04195	2.5
161.13292	0.6
184.07278	0.9
219.00618	0.8
230.07654	1.3
231.97270	0.8
253.37642	1.0
299.75317	0.6
320.29330	0.8
337.27292	77.8
338.27588	4.0
358.22296	0.7
474.23453	1.1
474.29758	26.7
475.29660	1.5
483.24301	0.8
492.30753	100.0
493.31168	5.6
516.29388	0.8
542.31787	3.2
990.28369	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.5799
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03341	2.3
69.06999	0.6
71.01267	0.5
73.02824	2.8
75.27245	0.3
79.05421	1.5
81.03347	1.2
81.06961	2.0
85.02825	4.2
91.03880	2.1
91.05402	2.2
93.06982	2.2
95.08523	1.9
95.18645	0.3
97.02818	4.6
99.04425	1.1
101.02321	1.5
105.06989	1.8
107.08554	1.3
109.02845	0.6
109.10163	0.4
115.03961	0.3
119.08560	0.7
121.10118	0.6
127.03864	1.0
129.05397	0.3
131.08586	0.5
131.54704	0.3
133.10114	0.6
159.11690	0.4
170.81760	0.3
175.14731	0.3
203.05275	0.6
243.08408	2.0
272.35391	0.3
347.09427	2.9
365.10556	1.6
405.13663	5.8
521.30450	3.3
535.28772	5.3
536.28717	0.3
683.35883	4.3
697.34076	5.3
698.34644	0.5
767.02936	0.3
784.07416	0.4
815.52826	1.5
976.57330	1.6
977.57892	100.0
978.58325	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	977.5799
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03351	1.1
69.06999	1.4
73.02814	1.9
79.05424	2.5
81.06985	5.8
85.02830	4.2
91.03883	1.6
91.05408	1.5
93.06987	2.2
95.08554	4.5
97.02848	4.7
97.47058	1.0
101.02351	1.1
113.25990	0.9
119.08604	1.1
165.03160	1.0
175.07990	0.9
259.07785	1.1
317.21106	1.2
405.13736	5.7
470.72354	1.1
521.30804	4.3
535.28717	7.9
630.35590	1.2
683.36169	5.9
697.34100	7.5
815.53046	2.1
929.83209	1.1
977.57782	100.0
978.58356	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	977.5797
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03367	3.3
73.02847	2.6
75.22884	0.5
79.05434	1.3
81.03344	1.2
81.06998	3.6
85.02841	5.7
89.47361	0.5
91.03910	3.3
91.05428	2.2
93.07021	2.2
95.08566	2.6
97.02825	4.6
101.02341	1.1
105.07000	1.0
107.08577	1.1
114.37811	0.6
121.10147	0.6
127.03897	1.0
135.11644	0.6
206.32323	0.6
243.08450	2.3
347.09622	3.0
365.10391	0.8
391.06747	0.6
405.13467	6.9
519.29150	7.3
521.30444	0.7
537.30505	4.1
602.94696	0.7
681.34741	7.3
699.36102	4.4
815.52600	2.3
977.57971	100.0
978.58337	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	978.6743
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06989	11.8
69.29233	1.6
70.06506	5.7
71.08542	1.8
79.05396	13.1
81.06974	17.0
83.08537	7.8
84.08047	1.7
84.71893	1.3
86.09631	2.3
91.05418	1.7
93.06969	14.2
95.04897	1.4
95.08536	15.0
97.06451	2.2
97.10101	5.7
99.24841	1.2
100.07554	2.3
104.10691	4.9
105.06976	1.5
107.08519	5.9
109.10090	7.7
114.09102	2.1
120.54150	1.3
121.10097	7.7
129.10188	1.8
135.11676	7.7
157.30722	1.2
171.34361	1.3
184.07318	5.9
240.30203	1.2
264.26895	3.1
282.27850	41.9
300.28918	100.0
301.29251	2.3
309.33401	1.4
542.94214	1.8
863.95740	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	979.5956
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03349	2.7
70.80122	0.5
71.01279	0.6
71.04926	0.7
71.10836	0.6
73.02843	3.2
79.05431	1.0
81.03375	1.1
81.07001	3.3
85.02834	4.7
91.03873	2.6
91.05387	0.8
93.06971	1.4
95.08553	3.5
97.02836	6.3
101.02330	0.8
107.08548	1.4
125.07143	0.6
127.03929	1.1
238.77020	0.8
243.08453	2.4
279.23251	0.8
280.63193	0.7
334.47751	0.7
347.09161	1.9
356.18835	0.7
365.10721	1.5
405.13687	6.9
521.30743	8.5
537.30426	4.1
683.36011	7.6
699.35565	4.1
817.54742	1.1
979.59406	100.0
980.59613	13.2
1009.10620	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.595
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03347	3.5
69.06977	0.9
73.02839	3.6
79.05408	1.0
81.03326	0.6
81.06990	4.6
81.72374	0.6
85.02834	5.5
91.03921	2.6
91.05432	0.8
92.10931	1.4
93.06994	1.2
95.08545	3.0
97.02850	4.2
101.02330	1.3
105.06972	0.9
109.49138	0.6
127.03878	0.8
147.11746	1.0
163.51370	0.7
167.07542	0.6
172.64709	0.7
178.66307	0.7
201.84644	0.6
206.22514	0.7
207.64607	0.7
210.29500	0.7
243.08328	1.0
246.86441	0.7
251.46756	0.7
312.15958	0.7
347.09436	1.4
365.10358	1.0
405.13623	7.1
485.21445	0.7
521.30981	7.8
537.30334	7.2
541.95648	0.7
603.52222	0.8
683.35962	7.5
693.10687	0.8
699.35596	6.6
817.54480	1.2
979.59406	100.0
980.59839	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	980.6189
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07284	2.8
71.07653	0.2
71.08543	0.4
81.06985	0.1
85.10079	0.2
86.09627	34.0
87.09959	0.2
90.71754	0.1
95.08507	0.2
98.98395	2.7
98.99017	0.2
104.10683	3.5
116.99440	0.2
124.99964	25.7
143.01001	0.6
150.60345	0.1
163.01532	0.1
184.07310	100.0
185.07692	1.3
213.74547	0.1
258.10938	0.2
269.72885	0.1
313.27304	0.4
430.18369	0.1
478.32855	1.7
496.33899	18.4
497.34210	0.9
661.00659	0.1
747.14655	0.1
904.78180	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	984.6459
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03343	2.4
69.06989	21.2
71.08546	42.0
79.05407	25.7
81.03336	3.6
81.06973	69.4
83.04947	3.3
83.08537	31.1
85.02829	9.6
85.06454	3.0
85.10118	20.8
91.03867	4.3
91.05399	24.1
92.10863	3.5
93.06967	33.9
95.04906	4.0
95.08535	42.8
97.02836	9.7
97.06454	2.7
97.10096	14.5
99.08039	8.5
105.06975	14.4
107.08536	23.9
109.02797	2.0
109.06476	2.8
109.10104	62.1
111.08043	3.4
117.06984	7.6
119.08508	10.5
121.10094	11.9
122.13710	2.0
123.11670	5.2
125.09595	3.4
131.08537	3.7
133.10063	10.6
135.11694	3.6
137.09671	3.0
137.26915	1.9
147.11665	5.1
149.13254	11.2
151.11156	11.5
159.11624	4.1
161.13220	3.3
173.11694	13.5
178.69188	2.0
195.13800	3.3
213.75914	2.2
227.12624	4.9
229.14281	40.1
230.14737	2.5
257.24777	3.7
269.17441	26.5
277.21594	13.7
295.22772	3.6
313.27313	100.0
351.25336	16.7
369.26346	11.5
467.37173	33.8
478.91824	2.6
486.87823	2.3
507.40424	74.7
508.40826	4.5
538.79987	3.1
589.48102	36.9
607.49127	25.3
728.19666	2.2
984.54205	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	986.5724
Annotation	Unknow
Peak:m/z	Relative Intensity
68.34763	0.1
69.06991	14.5
70.07323	0.2
71.04903	0.9
71.08540	0.5
79.05410	7.0
81.06979	26.1
82.07313	0.2
83.04913	0.7
83.08540	8.8
85.06467	0.9
85.10102	0.2
86.09637	1.2
91.05404	5.0
92.10915	0.2
93.06973	7.2
95.04895	1.0
95.08537	21.4
96.08872	0.2
97.06470	1.7
97.10098	4.2
98.06005	0.3
98.98411	0.6
99.08022	0.7
101.05924	0.2
102.63779	0.1
104.10676	1.8
105.06349	0.2
105.06984	3.7
107.08540	4.7
109.06484	0.3
109.10117	8.1
109.10862	0.3
111.08051	1.0
111.11662	0.8
116.66616	0.1
119.08541	3.3
121.09236	0.1
121.10104	3.8
123.08051	0.3
123.11668	3.6
124.01559	0.5
124.99983	0.5
125.09597	0.3
133.10104	3.1
135.11668	2.2
136.36710	0.1
137.09590	0.2
137.13234	1.6
139.11143	0.3
147.11673	2.0
149.13217	0.9
151.11197	0.2
151.14822	0.3
153.12732	0.3
161.13217	1.4
163.14836	0.7
165.12773	0.1
167.14381	0.2
173.02104	0.2
175.14772	1.2
184.07346	2.0
189.16345	0.6
198.05212	0.2
201.79764	0.1
203.17838	0.2
216.06314	0.7
245.22647	0.6
252.81007	0.1
263.23700	1.3
306.27841	2.3
332.64090	0.2
337.27313	100.0
338.27615	5.8
364.62979	0.1
460.27771	0.5
478.29208	6.9
479.30264	0.2
494.32208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.573
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06989	15.0
70.06529	1.1
71.08552	1.1
72.08065	6.2
73.08389	0.8
79.05403	9.7
81.06972	37.5
83.08534	7.9
86.09631	17.6
91.05405	6.6
93.06967	12.2
95.08534	32.3
96.08836	1.2
97.06449	1.1
97.10107	4.4
98.05984	1.3
98.98396	15.2
104.10712	1.6
105.06981	5.8
107.08513	7.6
109.10096	11.2
119.08529	5.1
120.08127	1.1
120.96593	1.5
121.10132	5.1
123.11669	2.1
124.01534	2.0
124.99943	11.8
133.10117	4.0
135.11629	1.6
142.18359	1.0
147.11626	1.4
149.13219	0.9
155.00986	4.0
161.13058	1.1
170.05730	4.1
172.95213	2.3
173.02037	1.7
175.14757	1.0
184.07292	37.9
185.07764	1.6
189.16345	1.2
190.96289	2.3
195.00401	1.0
200.58154	1.0
210.04352	0.9
216.06247	4.1
228.97845	1.3
245.22604	1.5
263.23648	4.5
306.27933	13.3
307.28476	1.1
337.27307	100.0
338.27603	11.3
339.27960	1.9
353.94455	1.3
417.24078	3.7
457.23074	4.7
458.23224	1.2
460.28119	40.5
461.28397	1.4
473.19415	5.5
474.19736	1.3
478.29199	64.6
479.29568	6.2
500.27438	5.2
501.27716	1.6
508.34137	6.6
509.34000	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	990.6051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06982	2.2
70.06504	3.9
71.07290	0.6
71.08550	0.4
72.08071	100.0
73.08401	0.6
79.05415	1.7
81.06978	6.1
83.08527	1.6
86.09625	2.3
89.60306	0.4
90.09133	3.5
91.05428	0.6
93.06982	1.6
93.19807	0.3
95.08524	4.5
97.24982	0.4
104.10688	6.3
107.08529	0.7
109.10116	2.0
119.08502	0.4
121.10087	1.3
129.59665	0.3
133.10103	0.5
135.11627	0.4
139.04181	0.4
146.42824	0.4
146.98161	0.7
170.05730	3.8
175.14784	0.4
176.99220	1.9
184.07281	0.5
195.00276	2.6
228.94025	0.4
254.95047	1.8
299.09970	0.3
313.27325	2.8
337.27344	13.4
338.27744	0.4
338.49341	0.4
397.78632	0.5
447.39713	0.4
483.24643	3.1
488.31287	6.6
506.25037	0.7
506.32376	19.4
507.26669	7.6
507.33011	1.1
542.31879	5.6
750.42834	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.5932
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06989	0.5
70.06519	0.5
71.07291	5.9
76.56052	0.2
79.05402	1.9
79.29599	0.2
81.06982	1.9
84.08070	0.4
86.09628	56.4
87.09967	0.4
88.47608	0.2
91.05418	1.3
92.10929	0.7
93.06960	2.2
95.08533	1.8
98.98405	4.1
104.10683	90.2
105.06980	0.4
105.11019	1.3
107.08535	0.5
109.10138	0.5
119.08514	0.3
121.10101	0.5
124.99967	35.3
133.10133	0.3
143.01068	0.9
163.01564	1.1
181.02542	0.2
184.07310	100.0
185.07637	1.5
243.11766	0.2
258.10928	0.8
335.25714	0.5
353.73376	0.2
441.23880	0.5
477.52881	0.2
500.31244	6.0
501.31860	0.4
518.32355	72.0
519.32660	7.0
538.42749	0.2
829.69312	0.3
956.91858	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6088
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06506	0.4
71.07291	2.9
84.08061	0.4
86.09626	40.0
87.09959	0.8
93.06977	0.3
96.67439	0.2
98.98396	4.2
104.10673	3.8
110.07133	0.3
123.78638	0.2
124.66557	0.2
124.99962	29.9
143.01036	1.0
172.95216	0.2
177.75984	0.2
184.07307	100.0
185.07658	1.5
292.16885	0.2
311.53906	0.2
342.80087	0.2
500.31042	1.3
518.32349	16.7
519.32886	1.3
895.90228	0.2
900.84070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.6374
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06991	16.0
69.92339	0.2
71.04878	0.4
71.08545	1.9
79.04973	0.2
79.05407	4.1
81.06976	10.5
83.04885	0.4
83.08538	12.4
85.06452	0.4
85.10088	0.4
86.09612	0.2
91.05392	0.4
93.06982	5.6
95.04870	0.3
95.08530	11.0
97.06477	1.7
97.09495	0.3
97.10104	6.9
98.05959	1.4
98.98398	9.1
99.08018	0.2
104.10661	0.8
105.06937	0.3
107.08538	3.9
109.10110	4.9
111.08012	0.9
111.11691	1.8
116.99442	0.3
119.78313	0.2
121.10103	5.8
123.11672	1.8
124.01548	1.2
125.09618	0.4
135.11671	4.3
137.13246	0.4
142.02600	0.9
149.13286	1.8
151.14778	0.4
153.12671	0.3
155.00992	4.9
160.07774	0.2
160.71448	0.2
163.14813	0.8
165.16376	0.4
170.50037	0.2
173.02060	1.1
177.16324	0.3
178.27800	0.2
180.97682	0.2
184.07373	0.3
191.17805	0.2
198.05267	1.3
204.00476	0.2
216.06285	2.0
234.37332	0.2
247.24222	0.9
262.39493	0.3
265.25253	3.3
308.29413	13.8
309.29654	0.3
339.28885	100.0
340.29245	3.2
419.25528	6.3
462.29697	29.8
463.29993	1.4
480.30771	45.1
481.30960	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	996.6818
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06989	5.7
70.06502	3.0
71.08533	2.0
72.04447	0.8
74.05984	2.8
79.05392	2.9
81.06973	6.5
82.06473	0.9
83.08544	4.5
84.04431	0.5
85.10085	0.8
86.05983	1.9
90.05464	0.8
93.06974	2.1
95.08535	7.3
96.08030	0.7
97.10081	3.0
107.08551	1.1
109.10103	2.4
111.42675	0.5
121.10032	1.0
135.11650	0.7
160.72656	0.5
238.25157	0.7
252.26773	3.0
254.28362	2.2
264.26724	4.8
270.27838	5.3
282.27841	21.9
300.28879	13.2
318.29962	100.0
319.30341	3.6
395.24969	0.5
400.27563	0.5
533.00769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6046
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03358	2.0
71.60647	0.4
73.02842	3.8
79.05419	1.1
81.03334	0.7
81.06554	0.4
81.06962	3.8
85.02834	5.0
91.03895	3.2
91.05415	0.9
93.06989	0.9
94.87057	0.5
95.08559	2.8
97.02836	4.8
101.02340	2.1
109.10157	1.0
119.08566	0.5
127.03894	0.9
147.11728	0.6
174.57549	0.5
185.04318	0.6
203.05347	0.6
243.08443	2.7
337.23560	1.2
347.09598	2.0
365.10461	0.7
405.13538	6.2
410.88760	0.6
449.98450	0.6
521.30829	5.5
522.31573	0.9
555.31451	8.3
683.35956	5.6
684.36096	0.9
717.36652	6.2
727.63593	0.6
835.55219	3.1
900.45648	0.7
906.76465	0.6
996.59082	17.9
997.60260	100.0
998.60315	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	997.6052
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03354	3.8
73.02837	4.1
79.05417	2.3
80.12735	0.7
81.03338	1.1
81.06984	4.4
85.02827	7.2
91.03900	3.4
91.05408	1.2
91.41405	0.6
93.07014	2.4
95.08541	2.9
97.02825	5.9
99.04416	1.2
101.02346	2.7
105.06994	0.7
107.08572	0.9
109.02848	0.7
109.10161	1.4
127.03881	1.3
169.06952	0.6
185.04245	0.7
243.08430	2.6
283.96606	0.6
337.23590	2.9
337.27405	0.7
347.09668	2.8
365.10483	1.1
405.13602	8.2
510.05646	0.8
521.30609	7.7
522.31274	1.3
555.31348	5.2
635.17328	0.9
656.83295	0.7
683.36145	10.5
684.36462	2.5
716.19952	0.7
717.36700	4.0
762.08203	0.7
835.55701	1.4
996.59497	18.2
997.60236	100.0
998.42340	1.0
998.61023	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	997.6249
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06980	0.8
71.07296	6.1
74.06122	0.3
74.64742	0.3
79.05408	0.8
81.06982	2.6
83.08540	0.5
86.09628	53.9
89.84666	0.4
91.05400	0.4
92.10165	1.5
93.06946	0.4
95.08526	1.9
98.98390	4.0
101.03916	0.4
104.10680	87.9
105.06961	0.4
105.11008	1.3
107.08540	0.5
109.10115	0.4
118.15224	0.4
124.99963	34.1
143.00992	0.7
163.01477	0.6
184.07304	100.0
185.07666	1.8
187.49814	0.4
209.68777	0.4
216.75996	0.3
258.10822	0.5
271.99237	0.4
337.27405	0.7
378.35065	0.3
443.25327	0.7
502.32971	6.4
520.33893	68.2
521.34302	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	997.6247
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06986	0.3
70.06506	0.1
71.07291	3.2
79.05393	0.1
81.06973	0.5
83.08530	0.1
86.09628	39.0
87.09486	0.1
87.09949	0.5
93.06969	0.1
95.08525	0.4
98.98398	3.5
104.10684	3.3
109.10120	0.1
116.99474	0.1
124.99965	28.2
126.00308	0.1
143.01022	0.6
166.02502	0.1
184.07310	100.0
185.07680	1.7
258.10901	0.1
337.27155	0.1
502.32825	1.5
503.34341	0.1
520.33893	18.3
521.34204	1.7
526.46228	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	1000.5903
Annotation	Unknow
Peak:m/z	Relative Intensity
75.91756	0.1
78.95900	11.5
96.96940	1.1
120.39546	0.2
150.97913	0.2
152.99585	22.4
157.38788	0.2
159.96509	0.2
171.00641	1.7
227.03290	2.3
245.04425	1.2
259.97195	0.2
261.22202	0.3
279.23300	100.0
280.23624	2.9
507.27322	62.7
508.27936	2.3
552.74725	0.2
592.36011	0.2
767.12726	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.6057
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95897	9.6
83.36714	0.2
89.13020	0.2
92.12395	0.7
96.41323	0.2
96.96962	0.6
150.98033	0.3
152.99579	20.7
160.77441	0.2
171.00615	1.3
182.86765	0.1
196.19405	0.2
206.98257	0.2
207.36378	0.2
227.03296	1.9
237.22282	0.6
245.04356	1.1
252.79437	0.2
255.23300	100.0
256.23636	1.6
279.23270	0.2
330.25314	0.2
391.47418	0.2
483.27319	56.9
484.27551	1.2
500.33087	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.6098
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95908	18.6
86.51953	0.1
91.32716	0.1
94.94604	0.1
104.97452	0.2
109.36385	0.1
136.01691	0.9
148.43208	0.1
152.99594	5.0
154.02756	4.6
180.04257	0.2
210.05402	9.1
227.03201	0.2
228.06476	2.1
255.23317	7.5
256.23679	4.6
257.24103	1.2
261.22275	0.3
279.23312	100.0
280.23624	2.7
483.27277	3.0
484.27573	3.7
485.27975	2.2
490.29443	57.0
491.29791	2.8
595.63110	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.6258
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42191	0.2
73.25851	0.2
78.95894	19.7
79.46085	0.2
134.98511	0.2
136.01666	0.8
152.99570	2.3
154.02730	5.0
180.04317	0.3
209.45390	0.2
210.05376	8.8
228.06459	2.2
261.22049	0.2
279.23282	100.0
280.23599	3.3
490.29416	61.6
491.29636	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	1015.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95897	17.6
96.96967	1.5
119.40495	0.1
150.98022	0.5
152.99583	34.7
167.09285	0.1
171.00638	1.6
217.69737	0.1
227.03253	3.4
233.32251	0.1
245.04314	1.0
261.22238	0.7
279.23291	100.0
280.23633	2.7
305.75867	0.1
409.23724	0.3
415.22479	0.5
496.27084	0.6
507.27316	67.4
508.27853	2.1
560.54822	0.1
725.99786	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	1015.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95894	10.2
90.16679	0.1
91.43789	0.1
96.96943	0.9
112.53563	0.1
152.99574	20.4
171.00583	1.4
186.82137	0.1
227.03320	2.0
240.32037	0.1
245.04285	1.2
261.22305	0.5
279.23282	100.0
280.23602	2.8
354.22482	0.1
507.27295	59.2
508.27591	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	1015.6204
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	11.4
73.02951	1.6
75.74614	1.1
85.02932	1.8
87.00867	4.1
89.02451	10.0
93.43999	1.1
94.74956	1.1
97.02915	1.4
101.02434	12.8
113.02425	5.4
113.09697	1.4
119.03489	4.2
125.02405	4.8
161.04591	1.3
171.10220	4.6
178.08134	1.1
179.88005	1.1
195.13945	11.2
204.63370	1.1
234.03328	1.0
235.08253	2.5
253.55382	1.0
263.53049	1.1
277.21744	18.7
279.23325	56.3
295.22800	100.0
379.12384	2.3
393.71512	1.4
397.08719	1.9
397.13531	34.9
408.99091	1.2
410.36905	1.2
415.14636	8.0
496.30374	1.3
501.36572	1.2
675.89825	1.2
677.37756	5.1
693.37927	1.9
740.89349	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	1021.5868
Annotation	Unknow
Peak:m/z	Relative Intensity
71.09869	0.6
73.15868	0.5
78.95897	17.5
84.37302	0.6
86.18827	0.6
95.54438	0.6
96.96928	0.7
120.17019	0.6
152.98340	1.0
152.99576	28.6
153.00768	1.1
171.00624	2.3
178.09073	0.7
215.75497	0.5
227.03279	4.5
241.21762	13.3
245.04317	0.8
264.30792	0.7
271.32764	0.6
279.23294	100.0
280.23682	3.6
296.29211	0.6
466.29358	7.8
507.27319	73.4
508.27869	1.4
580.41534	0.7
859.12744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.6011
Annotation	Unknow
Peak:m/z	Relative Intensity
71.96802	0.1
94.51699	0.1
99.92576	14.0
100.92603	0.3
114.93410	1.1
116.92853	100.0
117.01912	0.1
117.92855	2.2
127.05087	0.1
129.22621	0.1
137.94154	0.1
260.65649	0.1
388.08859	0.1
418.56995	0.1
1021.59222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.6195
Annotation	Unknow
Peak:m/z	Relative Intensity
72.71426	0.4
78.95895	13.0
96.96951	0.7
104.32688	0.4
115.61666	0.4
131.09833	0.4
152.99590	27.4
169.72250	0.5
171.00575	1.9
216.33086	0.6
227.03299	2.3
245.04510	0.5
255.23299	7.6
279.23453	0.9
281.24857	100.0
282.25223	2.5
480.31061	4.0
509.28876	67.3
510.29260	2.7
562.90857	0.6
728.43286	0.5
916.15485	0.7
949.21796	0.5
996.35126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.6191
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	13.8
85.33620	0.1
96.96938	1.0
117.95506	0.1
126.31487	0.1
134.98489	0.1
150.97989	0.2
152.99585	29.5
157.59343	0.1
171.00644	1.6
227.03271	3.3
227.05409	0.1
245.04382	1.0
278.67813	0.1
281.24863	100.0
282.25220	3.2
405.40237	0.1
417.23865	0.1
432.74554	0.1
509.28867	67.8
510.29144	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	1026.6052
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95896	13.1
80.28909	0.1
92.65385	0.1
96.96944	1.2
99.39846	0.1
119.39104	0.1
147.60193	0.1
150.97981	0.2
152.99582	26.7
171.00632	1.7
177.49719	0.1
180.12881	0.1
227.03255	2.6
227.05290	0.2
245.04335	0.9
261.22272	0.5
279.23294	100.0
280.23618	2.3
411.53857	0.1
443.27609	0.1
506.28500	0.2
507.27307	71.1
508.27652	2.1
832.45184	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	103.0037
Annotation	Malonic acid
Peak:m/z	Relative Intensity
56.78660	0.1
57.03466	0.4
59.01394	100.0
60.01722	1.0
72.04942	0.1
73.02955	0.4
80.20354	0.1
92.12412	0.2
97.17970	0.1
103.00366	5.6
103.01045	0.2
103.04013	0.6
112.44028	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.6522
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02940	0.5
78.76994	0.1
78.95895	0.9
83.01364	0.2
85.02939	0.6
87.00855	0.5
89.02429	2.8
91.12519	0.1
92.11806	0.2
95.01361	0.2
96.84357	0.1
96.96951	0.1
99.00892	0.2
101.01768	0.2
101.02422	2.9
101.33572	0.1
113.02461	1.3
119.03477	0.6
122.30802	0.1
133.05043	0.1
143.03549	0.2
147.19664	0.1
152.99586	1.5
161.04515	1.5
179.05608	0.3
235.08232	0.9
253.09285	10.7
261.22229	0.2
279.23282	100.0
280.23633	3.0
281.24838	3.8
282.25137	1.8
374.72009	0.1
402.52582	0.1
505.14420	0.1
509.28845	1.9
510.29105	1.4
515.32507	0.6
638.76886	0.1
925.68756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.6523
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	0.1
73.02937	0.6
73.03257	0.0
78.95927	0.1
83.01384	0.4
83.05070	0.0
85.02937	0.7
86.00069	0.0
86.21812	0.0
87.00874	0.4
89.02438	2.6
91.03970	0.1
95.01385	0.3
97.02953	0.1
98.85567	0.0
99.00874	0.2
101.02429	3.0
103.04032	0.1
113.02441	1.5
115.04008	0.1
116.75200	0.0
119.03497	0.9
125.02449	0.1
131.03508	0.1
133.05052	0.3
143.03525	0.2
149.04538	0.2
152.99612	0.2
157.05060	0.2
161.04539	1.3
179.05589	0.5
235.08228	1.3
253.09297	11.2
254.09631	0.2
261.22226	0.2
267.44095	0.0
275.03424	0.0
279.23294	100.0
280.23648	3.2
281.24774	0.5
282.25146	0.2
461.51740	0.0
480.84164	0.0
509.28693	0.2
510.28772	0.2
515.32245	0.7
940.15613	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99290	0.4
73.02930	1.2
74.18571	0.3
75.00809	0.3
78.95882	1.8
79.30398	0.3
83.01382	0.6
85.02951	3.0
87.00861	3.8
89.02439	33.3
95.01353	0.6
96.96003	3.8
96.96947	2.2
97.02936	0.3
101.02433	15.4
113.01705	0.6
113.02444	12.6
119.03500	8.1
125.02453	1.2
129.01927	0.6
131.03488	2.4
141.01945	0.5
143.03508	4.3
149.04521	1.3
159.02983	0.4
161.04547	5.5
179.05605	18.6
221.06673	13.0
233.06778	0.5
292.11603	0.3
323.09937	3.6
341.10867	2.3
377.08548	2.0
383.12213	0.4
439.08554	0.5
440.09271	0.4
488.74548	0.3
503.16190	26.6
504.16556	0.4
539.13861	100.0
540.14209	4.5
626.22205	0.3
665.21497	9.5
701.19183	23.2
702.19781	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	1049.6785
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95895	3.8
92.12307	0.1
95.65796	0.1
96.96961	0.1
122.98531	0.1
126.78884	0.1
136.67821	0.1
141.82388	0.0
152.99550	1.0
163.10158	0.1
168.04298	1.4
182.03828	0.1
188.37634	0.1
224.06976	0.7
237.22186	0.1
242.07968	1.9
255.23297	100.0
256.23636	2.3
480.30954	46.7
481.31277	1.1
495.27277	0.3
554.34674	3.6
967.94946	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	1049.6785
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95894	11.9
88.21540	0.1
96.96955	0.3
122.83183	0.1
122.98476	0.4
134.98582	0.1
152.99579	2.7
168.04306	2.9
194.05875	0.1
224.06946	8.7
230.22063	0.1
237.22240	0.2
242.08009	1.6
255.23302	100.0
256.23639	1.8
480.30969	62.3
481.31351	1.6
495.27295	0.4
554.34692	3.8
555.34644	0.1
780.42383	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	1060.7953
Annotation	Unknow
Peak:m/z	Relative Intensity
75.53844	0.2
78.95903	4.0
81.13025	0.2
99.30147	0.2
113.29568	0.2
152.99655	0.4
168.04276	1.2
224.07028	0.5
229.79073	0.2
261.22241	0.5
269.10614	0.2
279.23285	100.0
280.23514	1.6
358.31607	0.3
504.31003	1.8
552.78436	0.3
652.19116	0.3
766.53979	26.5
767.54388	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	1067.6289
Annotation	Unknow
Peak:m/z	Relative Intensity
86.41150	1.7
91.23503	1.7
92.11734	4.3
97.20518	1.6
105.79610	1.8
122.21178	1.7
172.50116	1.8
238.23946	2.0
279.23196	4.2
294.45267	1.8
317.45984	1.8
428.25198	2.1
454.17862	2.1
480.70303	2.1
551.29980	100.0
578.18274	1.9
689.73676	2.0
997.78174	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	1069.6021
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95473	1.1
78.95899	20.1
86.76065	0.5
116.70774	0.6
120.27282	0.6
145.07204	0.6
145.80090	0.5
152.99574	2.9
168.04330	5.3
186.21338	0.7
224.06940	10.5
233.22729	0.9
234.46440	0.8
242.07982	2.8
253.21765	16.2
271.64404	0.5
277.21738	100.0
278.22061	2.4
390.99210	0.7
391.10654	0.6
478.29523	6.2
502.29446	84.5
503.29764	2.8
552.28815	2.5
580.49683	0.7
580.89594	0.6
858.27094	0.7
1033.68176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.6757
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95894	11.6
84.51025	0.1
89.02426	0.1
89.10738	0.1
96.96927	0.2
101.02418	0.1
113.02414	0.1
122.98526	0.3
134.98564	0.1
152.99579	3.0
168.04282	2.9
224.06934	8.7
237.22183	0.2
242.07974	1.7
253.09331	0.6
255.23294	100.0
256.23682	1.6
279.23273	4.9
279.26395	0.1
409.23654	0.5
480.30969	58.3
481.31375	1.2
495.27386	0.5
506.32745	0.1
515.32422	0.2
554.34692	3.5
1049.31055	0.1
1069.03503	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	1073.6328
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	4.6
80.61377	0.2
91.56241	0.2
98.74748	0.2
140.13257	0.2
152.99622	1.0
166.15694	0.2
168.04301	1.5
169.98340	0.3
224.06978	1.1
233.56223	0.2
242.07959	1.9
279.23294	100.0
280.23688	3.2
429.20438	0.3
504.31009	51.4
505.31342	2.3
554.30298	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	1073.6344
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	14.6
87.15610	0.3
87.63396	0.3
92.12357	0.4
97.72295	0.3
152.99516	2.5
168.04292	4.3
224.06950	9.8
242.08025	1.8
279.23300	100.0
280.23688	2.4
354.42191	0.3
363.10147	0.4
448.72070	0.4
504.31027	66.9
505.31485	2.5
518.16211	0.5
554.30121	3.6
555.28558	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	1075.6937
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95896	11.2
88.07801	0.3
92.12478	0.7
92.47487	0.3
95.38512	0.3
114.39568	0.3
122.98473	0.3
152.99590	3.0
160.08824	0.3
168.04268	3.5
193.90955	0.3
224.06944	6.2
242.07925	3.3
255.23294	70.3
256.23590	1.5
279.23187	0.4
281.24854	100.0
282.25180	7.1
283.25711	0.4
433.89944	0.3
480.30975	43.7
481.30817	0.6
506.32529	49.1
507.32874	4.3
554.34406	2.2
580.36285	2.9
606.29785	0.3
635.57153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.6985
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	10.5
141.76883	0.5
145.72987	0.5
152.99577	2.4
168.04295	2.6
187.28986	0.4
224.06927	7.9
242.08020	1.0
261.67648	0.5
283.26447	100.0
284.26776	2.5
495.32062	0.5
508.34122	63.5
509.34686	0.7
547.89063	0.5
558.33380	3.7
559.33264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.6474
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95894	19.1
83.04990	0.1
86.40198	0.1
87.32313	0.1
96.96936	0.3
100.70525	0.1
106.68534	0.1
114.37798	0.1
122.98478	0.5
127.07661	0.1
130.85674	0.1
134.98543	0.1
145.97363	0.1
152.99573	4.1
168.04294	4.5
171.00595	0.1
194.05884	0.2
205.19696	0.1
224.06931	12.1
233.22827	0.6
234.49263	0.1
242.07982	2.4
259.20667	0.7
275.20142	0.7
277.21713	100.0
278.22031	2.0
502.29422	85.0
503.29706	1.9
517.25690	0.6
576.19818	0.1
576.33124	3.4
991.69855	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	1096.6918
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95897	12.3
95.14749	0.1
96.96936	0.1
101.02414	0.1
104.97397	0.1
117.91095	0.1
122.98540	0.3
131.36598	0.1
134.98528	0.1
152.99582	3.3
161.04561	0.1
168.04292	2.9
194.05704	0.1
224.06944	8.9
242.07948	1.7
253.09314	0.6
270.59021	0.1
279.23294	6.9
280.23636	0.4
281.24863	100.0
282.25180	2.4
414.71674	0.1
435.25119	1.0
506.32538	59.4
507.32837	1.6
515.32275	0.3
521.29016	0.4
580.36133	3.0
686.76965	0.1
693.32483	0.1
710.07074	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	1096.6918
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95896	3.8
96.96915	0.1
98.56641	0.1
103.16029	0.1
103.40137	0.1
138.52393	0.1
152.99583	1.6
168.04301	1.4
175.10132	0.1
224.06979	0.9
229.02348	0.1
242.08000	2.1
252.94424	0.1
253.09286	0.4
279.23315	3.4
280.23590	0.1
281.24863	100.0
282.25192	2.7
435.25110	0.3
459.27472	0.1
506.32529	47.9
507.32822	1.8
521.28973	0.5
580.36237	3.0
581.36218	0.2
1036.86682	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.678
Annotation	Unknow
Peak:m/z	Relative Intensity
76.08025	0.0
78.95894	4.1
80.70232	0.0
80.96490	0.1
83.04956	0.1
96.96918	0.1
152.99571	1.4
168.04283	1.6
180.46071	0.0
181.39096	0.0
224.06935	1.0
242.07970	2.5
261.22293	0.4
279.23285	100.0
280.23599	1.9
433.23535	0.1
504.31000	54.2
505.31274	1.2
518.52472	0.1
519.27460	0.4
578.34662	2.9
579.35107	0.1
684.53845	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6783
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95897	15.1
85.31220	0.1
96.96957	0.1
103.25310	0.1
116.19387	0.1
122.98534	0.3
134.98495	0.1
152.49208	0.1
152.99593	3.0
163.37695	0.1
168.04298	3.7
194.05937	0.1
224.06952	9.5
242.08008	2.3
261.22162	0.4
261.24750	0.1
261.75674	0.1
279.23294	100.0
280.23627	2.4
460.81033	0.1
504.30991	69.8
505.31186	1.8
519.27216	0.6
578.34650	2.8
1037.79712	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.6337
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95897	11.2
94.99016	0.2
104.97478	0.5
110.98521	9.6
113.33119	0.1
135.32005	0.1
137.00047	0.2
152.99553	0.5
167.01137	9.4
185.02196	2.8
204.22530	0.1
229.34796	0.1
255.23288	0.2
261.22260	0.7
279.23288	100.0
280.23615	3.1
423.18433	0.1
445.09949	0.1
447.25198	48.9
448.25632	2.5
516.32813	0.1
545.64960	0.1
629.55804	0.1
760.63019	0.1
822.63995	0.1
998.17487	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.71
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95896	12.9
92.12428	0.2
122.98498	0.3
134.98552	0.1
137.23512	0.1
152.99576	2.7
168.04286	3.3
171.00780	0.1
205.18889	0.1
216.10934	0.1
224.06941	8.9
242.07979	2.0
255.83966	0.1
281.24854	100.0
282.25198	2.2
362.32236	0.1
471.93878	0.1
506.32526	69.1
507.32919	1.6
521.28857	0.5
580.36267	3.5
581.37061	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	1105.7416
Annotation	Unknow
Peak:m/z	Relative Intensity
76.57155	0.1
78.95894	12.2
98.99348	0.1
103.27863	0.1
114.12081	0.1
150.27046	0.1
152.99573	2.7
168.04295	3.6
184.64891	0.1
186.44147	0.1
193.30132	0.1
224.06943	8.8
242.07997	1.9
265.25275	0.2
283.26428	100.0
284.26776	1.6
508.34091	68.0
509.34360	1.9
523.30511	0.5
547.00549	0.1
582.37878	3.8
1109.38550	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.655
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95892	12.5
80.04269	0.0
83.89451	0.0
85.60361	0.0
96.96944	1.1
108.23400	0.0
123.09172	0.0
134.98566	0.2
150.98065	0.4
152.99574	28.6
153.99965	0.1
171.00620	1.6
227.03271	3.3
237.22198	0.2
245.04303	1.0
255.23289	100.0
256.23636	1.8
391.22565	0.1
441.71533	0.1
483.27304	69.2
484.27554	1.4
641.53510	0.1
969.13428	0.1
1029.45544	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0036
Annotation	Maleic acid
Peak:m/z	Relative Intensity
58.35780	1.1
62.82015	1.1
66.36761	1.1
71.01378	100.0
71.05013	1.6
85.81438	1.4
115.00372	11.2
115.05949	2.5
116.07163	44.5
131.85426	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	1152.645
Annotation	Unknow
Peak:m/z	Relative Intensity
92.12413	0.3
92.65675	0.1
96.96952	9.4
98.97945	0.1
109.04874	0.1
114.39054	0.1
114.98082	0.1
122.16079	0.1
137.10217	0.1
140.01183	0.6
140.75029	0.1
143.62010	0.1
145.57726	0.1
150.98027	0.2
152.99588	28.3
171.00642	33.7
172.01048	0.1
214.04877	0.6
384.23245	0.1
402.24191	5.3
476.27859	100.0
477.28201	3.1
925.09448	0.1
1166.32996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1154.6603
Annotation	Unknow
Peak:m/z	Relative Intensity
82.04241	0.1
90.71187	0.1
122.00100	1.0
134.98518	0.3
140.01180	5.9
149.77074	0.1
152.99582	2.0
166.02840	0.2
179.20775	0.1
196.03802	8.9
214.04887	2.3
223.29433	0.2
261.22113	0.6
279.23288	100.0
280.23611	2.7
289.56653	0.1
297.56415	0.1
316.64130	0.1
324.81158	0.1
410.50595	0.2
476.27850	60.6
477.28006	2.1
562.93762	0.2
1098.72363	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1156.6766
Annotation	Unknow
Peak:m/z	Relative Intensity
83.29368	0.2
96.96946	9.3
140.01157	0.4
143.81310	0.2
150.98003	0.4
152.99579	30.2
161.02422	0.3
171.00629	34.2
198.99707	0.2
214.04951	0.3
253.21700	1.0
276.50049	0.2
279.23395	0.8
280.23505	0.4
386.24554	0.8
404.25769	5.8
478.29422	100.0
479.29614	2.3
510.66678	0.2
669.06610	0.2
678.60101	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
84.44990	0.4
87.30598	0.4
117.03442	2.3
119.04970	0.5
135.04503	0.8
149.02440	0.7
154.79837	0.5
161.02423	1.4
163.03923	0.4
175.04001	0.6
177.05482	0.5
191.03558	1.9
203.03554	0.7
233.04582	0.6
268.07318	0.6
282.05246	1.4
283.06033	3.2
294.05270	0.5
295.06152	3.3
296.06891	3.1
297.07712	21.3
307.06131	1.9
309.07690	2.3
311.05493	2.9
323.05505	3.5
324.06381	0.6
325.07233	8.9
328.05862	4.1
335.05722	2.1
337.07285	3.7
352.34595	0.5
353.06711	38.9
354.07269	1.5
355.08218	1.6
356.05246	0.6
365.06723	5.4
367.08044	0.5
374.92035	0.5
383.07767	29.7
384.07950	0.8
395.07590	3.1
413.08847	5.4
425.08752	4.4
433.78745	0.5
437.08829	0.5
438.36087	0.5
443.09836	10.4
444.09851	0.5
455.09586	0.8
471.50076	0.4
473.10947	8.7
474.11472	0.4
485.10712	0.5
503.11984	3.0
545.13135	0.9
548.03979	0.5
563.14117	100.0
564.14313	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	1163.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
84.44990	0.4
87.30598	0.4
117.03442	2.3
119.04970	0.5
135.04503	0.8
149.02440	0.7
154.79837	0.5
161.02423	1.4
163.03923	0.4
175.04001	0.6
177.05482	0.5
191.03558	1.9
203.03554	0.7
233.04582	0.6
268.07318	0.6
282.05246	1.4
283.06033	3.2
294.05270	0.5
295.06152	3.3
296.06891	3.1
297.07712	21.3
307.06131	1.9
309.07690	2.3
311.05493	2.9
323.05505	3.5
324.06381	0.6
325.07233	8.9
328.05862	4.1
335.05722	2.1
337.07285	3.7
352.34595	0.5
353.06711	38.9
354.07269	1.5
355.08218	1.6
356.05246	0.6
365.06723	5.4
367.08044	0.5
374.92035	0.5
383.07767	29.7
384.07950	0.8
395.07590	3.1
413.08847	5.4
425.08752	4.4
433.78745	0.5
437.08829	0.5
438.36087	0.5
443.09836	10.4
444.09851	0.5
455.09586	0.8
471.50076	0.4
473.10947	8.7
474.11472	0.4
485.10712	0.5
503.11984	3.0
545.13135	0.9
548.03979	0.5
563.14117	100.0
564.14313	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	1163.6712
Annotation	Unknow
Peak:m/z	Relative Intensity
86.65347	0.2
96.96938	1.3
110.56318	0.2
147.00766	0.2
150.98007	0.2
152.99580	29.6
171.00612	1.7
213.93872	0.2
227.03264	3.4
245.04323	1.4
255.23303	100.0
256.23618	2.2
281.24860	23.5
282.25198	0.7
301.10553	0.2
483.27322	60.0
484.27261	1.6
509.28836	11.4
569.79755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0193
Annotation	Succinic acid
Peak:m/z	Relative Intensity
50.08988	0.2
50.85423	0.2
55.01887	0.5
59.42683	0.2
73.02953	100.0
74.03277	1.8
99.00880	8.8
99.92586	2.2
116.92849	5.9
117.01937	21.4
117.92860	1.0
118.02255	0.8
133.58174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0193
Annotation	Succinic acid
Peak:m/z	Relative Intensity
50.14627	0.2
51.15118	0.2
55.01897	0.4
58.42034	0.2
59.85269	0.2
63.69176	0.2
71.01377	0.2
73.02951	100.0
73.68036	0.2
74.03275	1.4
92.12396	0.3
99.00884	8.4
99.66006	0.2
99.92587	2.9
116.92860	7.8
117.01939	20.3
117.92873	0.9
118.02266	0.3
129.87822	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1185.6557
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05034	0.1
92.02509	0.0
92.65691	0.1
96.96947	0.6
150.98004	0.2
152.99582	13.8
153.29378	0.1
171.00616	1.2
205.29755	0.1
216.94229	0.1
227.03247	1.6
233.95528	0.1
245.04344	1.4
261.22302	0.5
279.23300	100.0
280.23621	2.1
507.27316	57.5
508.27554	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	1185.6552
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05014	0.1
83.05929	0.0
88.03893	0.0
96.96951	1.5
134.98518	0.2
139.16566	0.0
150.98022	0.4
152.99582	32.7
153.99837	0.0
171.00616	1.7
182.77585	0.0
227.03270	3.4
245.04359	1.0
261.22256	0.4
279.23300	100.0
280.23651	1.8
300.30051	0.0
415.22455	0.4
433.23709	0.1
506.28546	0.1
507.27307	81.9
508.27625	1.4
866.82983	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0294
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
54.85886	0.1
59.01366	0.1
87.04147	0.1
91.01864	0.2
92.02653	0.2
93.03429	1.2
94.02954	0.3
95.01388	0.3
108.02193	1.5
121.02942	100.0
122.02467	0.6
122.03268	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	121.0293
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
57.43655	1.1
76.21645	1.1
82.74653	1.3
89.12840	1.2
91.50602	1.2
92.65103	1.6
93.03437	2.0
103.17303	1.3
106.12358	1.3
121.02946	100.0
122.03288	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	128.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82463	0.6
55.01880	0.7
60.39057	0.5
64.45525	0.6
82.02958	1.5
85.02938	20.5
99.97989	0.6
101.02409	2.6
113.92602	0.7
114.38740	0.7
120.46142	0.7
128.03522	100.0
128.07161	2.6
129.01950	3.5
129.03859	4.0
141.03166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50716	0.4
50.65288	0.4
57.72091	0.5
61.04283	0.4
61.07225	0.4
76.57724	0.7
82.02985	2.5
84.04549	1.2
85.02960	10.0
91.40472	0.6
101.02426	3.0
128.03529	100.0
129.01917	2.8
129.03894	4.6
133.78108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0557
Annotation	3-Oxohexanoic acid
Peak:m/z	Relative Intensity
53.06799	2.0
57.03455	4.6
58.02956	1.9
59.01382	20.6
65.83303	2.1
72.09817	2.3
73.02937	4.7
74.09258	2.3
83.05040	3.0
85.02943	51.0
85.06586	100.0
86.06908	2.6
88.04062	3.6
101.02468	3.1
111.00883	3.2
111.04514	11.1
121.39630	2.2
129.01953	5.4
129.03925	9.9
129.05573	72.7
130.07787	4.3
130.08702	46.4
132.15935	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	129.0557
Annotation	2-Ketohexanoic acid
Peak:m/z	Relative Intensity
50.49560	4.6
57.03453	10.5
85.02950	18.6
120.35991	4.4
124.95178	4.4
129.05563	100.0
130.08746	21.6
149.84221	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	129.0557
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
57.03445	10.8
57.08900	4.2
63.62615	4.6
83.78394	4.6
85.02936	63.1
101.02412	6.7
129.01932	8.8
129.05559	100.0
130.08727	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	5.1
62.85161	0.5
66.84409	0.5
69.03447	0.6
71.78939	0.4
73.15681	0.4
87.04501	2.0
88.04040	5.1
129.69281	0.5
130.08725	100.0
130.64801	0.5
131.09065	2.8
148.71370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0713
Annotation	2-Hydroxyhexanoic acid
Peak:m/z	Relative Intensity
52.32707	0.7
55.01881	1.2
57.03453	12.1
58.00604	1.0
59.01381	8.4
68.64874	0.8
69.03431	3.6
69.67227	0.8
71.01374	10.8
72.99289	1.2
73.02941	28.3
75.00863	3.7
83.01370	3.0
83.05016	1.2
85.02944	17.1
85.06584	100.0
86.03248	0.8
86.06922	1.6
87.04513	15.8
88.04037	4.4
88.18840	0.8
90.14164	0.7
92.11808	1.0
96.49330	0.8
96.64516	0.8
101.02438	9.6
103.24355	0.9
111.67861	0.8
113.02444	6.4
113.06082	4.3
114.01983	1.1
124.42565	1.1
129.05602	1.6
131.03519	9.3
131.07127	59.2
131.09088	1.8
132.02966	0.9
133.65587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0302
Annotation	D-Aspartate
Peak:m/z	Relative Intensity
59.01383	1.7
70.02969	0.9
71.01380	63.2
72.00909	2.1
72.99303	12.1
81.88600	0.2
87.00864	0.9
88.04034	62.0
88.10706	0.2
89.02439	6.8
89.03568	0.6
89.04372	1.1
109.10085	0.2
114.01978	3.3
115.00364	100.0
132.03017	21.4
133.01421	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	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
50.31604	0.4
55.36980	0.4
57.77671	0.5
59.01391	1.2
71.01381	55.3
71.22758	0.5
71.64978	0.6
72.01707	1.0
72.99304	12.4
80.79725	0.4
85.04382	0.5
87.00883	1.1
89.02444	7.4
92.11730	1.2
111.19000	0.5
115.00367	100.0
116.00709	3.7
133.01419	29.8
134.01767	0.8
140.47275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
52.70219	0.2
59.01386	1.5
71.01382	65.6
72.99305	14.3
77.64989	0.2
87.00852	1.6
89.02444	8.3
115.00368	100.0
127.07988	0.2
133.01424	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	133.0295
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
57.03446	20.9
59.01382	14.4
64.34496	1.6
65.64700	1.1
67.72314	1.2
69.03445	7.9
71.01382	32.7
72.99303	5.9
73.02934	21.4
77.03957	15.2
85.02929	6.6
87.03966	2.1
87.04504	63.0
89.02442	2.2
89.03964	7.4
92.11663	2.8
95.05013	20.0
97.02913	1.3
101.83406	1.3
105.02773	2.6
105.03453	56.4
105.04159	1.9
107.03631	1.5
114.39133	1.7
115.00352	39.3
122.59300	1.3
123.04486	5.8
129.22830	1.3
131.03433	1.9
132.02156	22.3
132.86774	1.9
133.01454	16.1
133.02942	100.0
133.05042	58.1
134.02446	2.0
134.03362	2.4
134.04645	9.4
138.80763	1.3
149.22009	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	134.0473
Annotation	Adenine
Peak:m/z	Relative Intensity
56.83708	0.4
59.01372	2.8
62.38427	0.4
62.90943	0.4
68.87646	0.4
72.01708	0.7
75.00857	0.7
88.04852	1.0
92.02550	4.2
96.96960	0.5
107.03630	23.3
107.05010	2.4
116.00690	0.9
116.97475	0.4
134.04712	100.0
134.86530	7.8
134.88536	0.7
134.89470	14.5
135.03041	0.4
135.03468	0.6
135.04333	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	136.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
67.63483	1.9
92.05046	12.7
93.03448	42.6
94.03787	4.0
95.01382	9.5
98.32902	2.0
108.02165	72.7
108.04542	2.8
135.89474	9.0
136.01656	100.0
136.02687	4.2
136.03969	7.2
136.04863	45.1
136.86259	2.5
136.89177	32.0
137.02484	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	137.0243
Annotation	4-hydroxy-benzoate
Peak:m/z	Relative Intensity
62.87350	0.3
64.81461	0.3
65.03958	0.7
81.03438	1.8
81.85590	0.3
81.96266	0.3
84.85528	0.3
93.03450	100.0
94.03796	4.1
100.04052	0.3
108.02164	1.9
109.02936	1.8
120.31253	0.3
136.01645	4.7
136.86276	0.4
137.02443	74.0
138.02766	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	137.0244
Annotation	4-hydroxy-benzoate
Peak:m/z	Relative Intensity
50.75356	0.2
50.82048	0.2
54.04689	0.3
55.77905	0.3
65.03976	0.5
76.71236	0.3
81.03450	0.7
93.03454	100.0
94.03796	3.5
108.02184	2.0
109.02968	2.0
116.66786	0.4
117.46075	0.3
135.84879	0.3
136.01692	4.8
137.02452	71.7
138.02786	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	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
50.83489	0.2
51.80737	0.2
53.63670	0.2
55.71128	0.2
66.03483	0.6
71.68005	0.2
79.95728	1.4
93.03512	0.3
94.02972	1.2
94.03781	1.2
94.98058	1.9
95.05012	0.4
108.02174	46.9
109.02504	1.8
111.00956	0.3
120.04565	0.4
120.66626	0.3
124.01640	0.4
138.01970	100.0
138.05602	1.7
139.02348	3.2
139.04007	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	138.056
Annotation	Myrothenone B
Peak:m/z	Relative Intensity
52.46592	0.6
66.03481	1.2
79.92223	0.7
81.80645	0.7
94.98038	0.8
95.05016	4.0
95.12280	0.7
120.04507	1.7
123.03252	81.8
124.01676	1.4
124.03584	4.1
138.05597	100.0
139.04004	5.3
139.05931	4.5
144.75470	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.056
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
51.22694	0.6
51.27295	0.5
59.76960	0.5
69.84617	0.6
94.98087	0.9
95.05016	3.7
107.81750	0.6
108.04552	0.9
108.17377	0.6
120.04538	1.4
121.88459	0.6
123.03243	84.0
123.56700	0.7
124.03583	4.1
137.13550	0.6
138.05594	100.0
139.03993	3.1
139.05960	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	142.0509
Annotation	3770-22-7
Peak:m/z	Relative Intensity
53.56040	0.4
55.01883	0.6
57.03447	3.8
57.70336	0.5
57.99940	0.5
58.02989	13.1
58.53787	0.5
59.01382	0.9
61.04289	0.5
69.03444	0.7
69.65321	0.5
71.01394	3.8
71.34568	0.4
72.59452	0.4
73.02949	0.7
85.02947	3.2
87.04503	1.3
98.06108	11.2
99.04494	3.2
100.04037	100.0
101.04359	2.8
105.38257	0.5
113.02434	2.5
125.02416	0.7
142.05087	25.3
143.03503	3.4
143.05460	0.9
152.52103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08961	0.4
55.01883	1.0
57.03191	0.5
57.03454	11.8
58.02707	0.6
58.02982	14.4
59.01387	4.2
69.03449	2.7
71.01377	6.3
73.02931	0.8
85.02952	7.8
87.04506	4.2
97.02944	2.2
97.13081	0.5
98.06115	12.4
99.04512	12.2
99.74267	0.6
100.04036	100.0
101.02383	0.9
101.04369	2.9
113.02429	7.4
115.04032	2.1
125.02423	1.9
135.32399	0.5
142.04077	1.1
142.05095	18.0
142.06108	1.0
143.02509	0.7
143.03520	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	144.0455
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
57.03452	0.4
58.03789	0.3
61.98822	0.7
64.45509	0.2
71.01379	0.2
73.02913	0.4
75.72272	0.2
77.65016	0.2
78.36923	0.2
82.15598	0.2
83.05028	0.2
85.02938	1.2
86.03280	0.3
99.08157	3.6
101.06090	0.2
110.47414	0.2
116.05057	1.1
122.36109	0.2
123.56229	0.2
126.03474	0.4
144.04550	100.0
145.03825	0.2
145.04915	7.1
145.08730	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	144.0666
Annotation	4-Acetamidobutanoate
Peak:m/z	Relative Intensity
50.57069	0.6
50.90884	0.6
53.41793	0.5
57.03461	12.1
58.02988	100.0
59.01391	1.0
59.03327	0.7
71.01391	0.7
71.05024	1.2
73.02946	7.7
83.05020	0.9
85.02947	3.2
92.12321	0.9
101.02444	1.2
102.05604	79.4
103.05898	2.7
112.45020	0.6
144.04568	2.9
144.06660	19.0
145.05048	1.1
164.74997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66764	0.6
57.03194	1.2
57.03454	26.1
59.01382	1.0
63.84108	0.7
70.02979	1.1
71.01417	0.9
73.02943	11.3
73.70588	0.7
74.02461	9.2
74.06154	0.8
83.01375	1.7
83.04988	0.7
84.04539	4.2
86.15604	0.7
98.02473	3.1
99.00867	1.7
101.02432	100.0
102.02783	1.5
102.05617	8.5
116.03529	3.9
128.03514	3.5
145.01450	5.2
146.04590	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	145.087
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
57.03450	1.0
59.01382	0.4
62.33588	0.4
67.22337	0.3
71.01377	0.5
71.05014	0.4
73.02946	0.9
83.05008	0.5
85.02959	3.4
87.00864	0.5
97.06567	0.8
99.08147	100.0
100.08475	4.4
101.06107	0.6
102.05583	2.0
127.07650	3.1
143.07152	0.8
145.05032	1.0
145.08702	54.7
146.09056	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	146.046
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
50.84375	0.4
56.91604	0.3
58.30581	0.4
72.93460	0.4
74.02465	0.8
83.24702	0.5
84.04586	0.5
85.02917	0.9
87.64852	0.5
102.05602	100.0
103.05325	0.6
103.05909	3.4
128.03525	44.4
129.03856	2.0
146.04596	26.1
147.04935	0.7
155.31342	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0299
Annotation	(S)-2-Hydroxyglutarate
Peak:m/z	Relative Intensity
50.65591	1.0
50.88348	0.9
55.01878	7.3
57.03460	33.2
59.01374	6.9
60.31339	1.2
70.56238	1.1
71.01390	17.6
71.05001	1.2
72.14671	1.1
72.99290	4.8
73.02927	4.7
73.79322	1.2
75.00872	1.9
78.03490	1.1
85.02953	83.1
85.03471	2.7
87.00877	44.5
88.01217	1.7
101.02440	24.8
101.06062	1.7
103.04003	30.3
103.05943	2.2
115.00333	10.3
118.10479	1.1
129.01932	100.0
130.02220	4.8
147.02985	41.0
147.06670	1.9
148.03389	1.6
155.69952	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0298
Annotation	(S)-2-Hydroxyglutarate
Peak:m/z	Relative Intensity
57.03192	1.1
57.03453	27.5
59.01370	4.4
63.83522	0.6
71.01378	5.9
72.99294	1.3
73.02937	1.5
83.21587	0.6
85.02943	54.9
86.37328	0.6
87.00872	10.1
101.02435	27.4
101.84558	0.6
103.03996	31.1
103.94308	0.6
115.00338	2.8
124.37074	0.6
129.01930	100.0
130.02263	3.7
141.44215	0.6
147.02991	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0299
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
54.82733	0.6
55.01875	4.8
57.03456	14.8
57.34388	0.6
58.99607	1.7
59.01112	1.2
59.01387	29.7
60.01744	0.7
67.57373	0.7
70.02953	0.9
71.01381	100.0
71.05013	6.5
72.01729	1.0
72.99309	42.2
72.99725	1.6
75.00850	3.5
83.05035	0.9
85.02952	11.6
87.00865	25.6
87.04514	1.0
89.02367	0.8
96.99292	1.4
99.00883	1.2
101.02429	3.2
101.06071	9.8
101.42411	0.7
103.03984	3.0
111.00841	0.8
115.00363	8.8
129.01930	25.7
129.05579	1.2
129.68608	0.7
147.03032	6.0
147.06642	12.6
154.07802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
55.01880	21.3
57.03445	5.0
59.01391	56.1
63.91018	3.5
68.99818	4.2
71.01389	33.5
72.99318	4.3
74.60318	3.4
74.79475	3.7
75.00874	18.2
76.01926	4.8
76.57243	4.3
85.02960	8.6
87.00880	6.4
95.85352	3.8
99.00816	6.1
129.01904	9.4
147.01979	26.8
147.04527	100.0
147.06598	4.7
148.04935	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	147.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72552	5.3
55.01876	41.3
57.03450	32.1
58.99599	29.7
59.01390	100.0
71.01375	77.5
71.05013	11.3
71.12381	5.0
72.99298	48.3
73.02936	4.8
73.83927	5.0
75.00873	55.0
77.56020	4.7
85.02943	80.7
87.00871	52.0
88.51104	4.7
89.02459	8.0
92.65901	4.7
99.00868	21.1
101.02430	7.5
101.13412	5.8
103.03991	7.2
103.05935	6.0
120.04556	6.6
123.88051	5.4
129.00528	5.4
129.01933	49.2
136.91324	5.3
137.37851	5.5
145.35841	5.1
147.02054	5.4
147.03127	40.7
147.04510	60.1
147.06638	60.4
148.06131	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	147.0451
Annotation	4-Hydroxycinnamyl aldehyde
Peak:m/z	Relative Intensity
55.01873	1.0
57.03451	0.3
59.01375	3.0
61.98520	0.2
61.98822	1.7
71.01364	2.3
72.99316	0.6
75.00861	1.3
85.02914	0.3
87.00883	0.4
89.02473	0.3
89.64565	0.3
92.12384	0.3
93.03450	1.0
94.34170	0.3
99.00848	0.3
100.73700	0.2
101.03927	0.3
104.97249	0.2
117.03498	0.3
119.05006	5.9
120.05355	0.3
129.01962	0.6
129.03467	3.0
133.01703	2.6
147.04517	100.0
148.04903	5.4
148.07719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0244
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
53.38753	1.0
53.86013	1.1
57.04326	1.1
59.01392	100.0
71.01391	45.2
72.99311	7.9
73.02960	1.5
73.88359	1.2
75.79415	1.1
84.67340	1.4
85.02953	2.8
87.00878	6.8
87.47953	1.3
87.76151	1.2
89.02444	13.4
89.97823	1.6
93.03430	1.7
94.02937	2.4
94.99319	21.3
98.80295	1.5
99.43050	1.3
101.02422	3.0
101.90320	1.3
104.97740	8.5
108.04562	1.9
112.63391	1.4
113.02498	1.4
115.79633	1.4
121.02955	8.2
131.59045	1.3
134.03743	3.0
148.96750	8.3
149.01102	3.5
149.02539	14.9
149.06125	2.8
150.05602	17.9
160.18184	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	149.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36198	0.8
56.04845	0.9
57.03456	1.4
58.00597	1.8
59.01387	100.0
63.99235	1.0
71.01383	36.7
72.99300	6.0
73.02936	1.8
75.00854	1.3
79.95728	1.5
85.02947	4.2
87.00886	2.0
89.02451	11.7
89.97775	1.9
92.54248	1.0
93.03429	1.6
94.99300	20.9
96.62350	1.0
101.02418	1.6
104.97754	8.2
108.04549	2.0
113.02442	1.4
117.48195	1.3
121.02966	7.7
134.03705	8.9
148.96735	9.0
149.02484	9.1
149.06113	1.3
149.08090	1.7
150.00229	1.5
150.05598	19.3
160.81601	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	149.0455
Annotation	D-Lyxose
Peak:m/z	Relative Intensity
55.01873	3.2
56.84637	1.3
57.03447	2.2
58.00600	1.7
58.02962	5.9
59.01384	76.4
60.25210	1.5
63.28138	1.4
63.96250	12.4
66.03460	1.5
68.88416	1.2
69.03436	2.0
70.93793	1.5
71.01378	51.3
71.09904	1.3
72.99297	17.3
73.02576	2.1
73.02940	30.8
75.00452	2.7
75.00868	75.2
77.84275	1.3
85.02946	6.7
87.00870	9.1
87.03352	1.9
89.02437	77.0
101.02411	2.9
103.04002	11.4
131.02377	8.8
131.03482	16.3
149.04550	100.0
150.04860	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	149.0972
Annotation	VERBENONE
Peak:m/z	Relative Intensity
56.32607	0.8
57.15578	0.8
59.01389	48.8
60.93367	0.8
66.13302	0.8
67.05531	1.1
67.55348	1.0
67.97438	0.9
68.85181	0.9
70.33241	0.8
71.01382	25.4
72.99295	1.4
79.73486	0.8
83.05012	3.8
89.02441	8.8
89.97798	3.6
93.03437	1.3
94.99298	10.6
104.97724	2.3
107.08652	4.6
108.04533	1.7
113.02481	0.8
121.02932	1.8
121.06523	1.1
124.55930	0.9
128.91637	0.9
131.08690	1.8
133.06595	17.9
141.33656	1.0
148.96744	4.2
149.02538	1.1
149.09721	100.0
149.78560	0.9
150.05573	9.1
150.10045	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	151.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	10.0
52.15260	0.7
53.00311	2.0
55.01871	1.4
59.01387	57.0
65.00303	1.0
66.03489	9.5
67.01897	24.3
68.99809	4.8
69.03461	14.9
70.20903	0.8
70.81165	0.9
70.81556	0.7
71.01381	17.7
73.02946	1.1
78.98612	1.3
79.01899	13.2
80.02665	2.0
80.05049	0.9
81.03455	29.5
82.95449	0.9
83.01378	1.2
84.37098	0.8
85.02950	1.4
89.02448	9.3
92.47759	0.9
94.63453	0.8
95.01383	75.1
96.01729	2.1
97.02940	9.2
97.75188	0.8
101.02451	6.2
107.01383	19.7
107.05022	5.5
107.67702	1.1
108.02168	14.2
108.04561	4.4
109.01705	1.0
109.03002	6.8
122.06113	1.5
123.00882	60.6
123.04514	4.6
124.01207	1.4
125.02445	100.0
126.02793	3.5
136.01656	16.4
151.00381	15.0
151.04021	45.4
151.05087	2.3
151.06104	5.6
151.07468	1.1
152.01207	9.5
152.03386	7.2
152.04559	1.5
152.07176	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	151.04
Annotation	Vanillin
Peak:m/z	Relative Intensity
50.60062	0.2
51.39676	0.3
54.02054	0.3
59.01373	0.6
59.39173	0.3
63.06985	0.3
77.65294	0.3
95.01398	0.4
108.02182	5.8
136.01654	100.0
137.02017	3.5
151.04016	8.2
152.04372	0.4
163.37262	0.3
165.78091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0193
Annotation	3,4-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
59.01380	1.5
63.85934	0.2
65.03962	0.6
66.03492	0.5
71.01372	1.9
78.30381	0.3
80.96494	1.7
81.03435	2.6
82.03004	0.4
82.58090	0.3
85.01465	0.3
91.01891	0.6
93.03485	0.4
94.83547	0.4
107.04995	0.3
108.02166	8.0
109.02943	100.0
110.00082	0.3
110.03271	5.1
111.04476	0.5
115.00343	1.5
138.03217	0.4
152.98599	0.5
153.01932	17.6
153.05597	2.8
153.06641	0.4
153.86864	5.4
154.02307	0.7
163.02292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0193
Annotation	3,4-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
54.06673	0.4
55.58302	0.4
59.01387	3.8
65.03950	0.5
66.03511	1.0
69.03451	0.7
71.01377	3.9
72.36399	0.4
80.96519	2.8
81.03458	3.0
82.02986	2.1
83.01392	0.5
85.02982	0.5
91.01888	0.9
108.02171	9.2
108.31396	0.4
109.02950	100.0
109.06572	1.2
110.00106	2.1
110.03254	5.4
110.06131	0.4
111.04538	1.8
112.04020	0.5
115.00378	3.0
123.04486	0.6
125.02387	1.1
125.06110	0.7
135.04509	0.6
137.99602	0.7
138.03261	0.9
152.98633	1.0
153.01942	17.3
153.03098	1.0
153.05577	5.6
153.86864	15.4
154.05052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0193
Annotation	3,4-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
56.82743	0.3
59.01384	2.7
64.34415	0.3
65.03927	0.3
66.21243	0.3
71.01380	2.6
75.14323	0.3
78.37907	0.3
80.05046	0.6
80.96513	1.5
81.03444	2.9
82.02979	0.8
83.04985	0.5
91.01875	1.4
94.75269	0.3
107.04986	0.7
108.02175	8.0
109.02945	100.0
109.06584	2.3
110.00074	0.4
110.03281	4.0
110.92651	0.4
111.97865	0.4
115.00349	1.4
117.92266	0.4
123.04568	0.5
123.05644	0.4
124.01649	0.4
125.02419	0.7
138.03206	1.2
152.98630	0.3
153.01936	17.2
153.03026	1.0
153.05562	4.0
153.86867	9.1
154.02286	0.7
154.05037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0192
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
53.96849	0.5
59.01365	0.6
65.00312	0.5
65.03963	20.5
67.01891	9.0
74.67324	0.6
78.69196	0.4
82.02988	0.9
91.01885	6.5
92.81896	0.5
109.02944	100.0
109.06570	0.8
110.03294	4.0
135.00879	27.4
136.01205	0.6
146.84795	0.5
153.01932	75.7
153.05501	1.9
154.02290	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	158.0822
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
57.03469	0.5
58.02974	1.9
59.01376	2.4
65.11151	0.4
69.03463	0.4
69.33489	0.4
71.01371	2.4
71.05003	0.5
71.46946	0.4
73.02937	2.9
85.02953	0.7
85.06587	1.0
87.00892	0.8
87.38892	0.5
90.62296	0.5
97.06570	1.8
99.00833	0.7
99.92580	2.8
101.00634	0.6
101.02441	1.9
101.82716	0.4
101.99491	0.4
104.41192	0.4
111.00889	0.6
114.05598	3.1
114.09255	5.6
114.94903	1.1
116.07166	100.0
116.92849	7.6
117.07491	4.0
120.59972	0.4
121.80710	0.5
128.05078	0.5
129.01930	0.8
129.05573	1.7
130.06635	0.6
140.64098	0.5
158.06189	1.1
158.08200	15.2
158.89317	2.0
159.03012	2.2
159.06630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0822
Annotation	3-Hydroxystachydrine
Peak:m/z	Relative Intensity
57.03445	2.3
59.01383	12.8
63.44653	1.5
69.03421	1.7
71.01373	11.2
73.02951	17.4
74.15452	1.8
76.58399	1.8
85.02956	7.2
87.00851	3.5
87.04549	2.3
97.06537	6.9
99.00831	2.6
99.92571	9.9
101.02438	3.7
111.00833	2.9
114.05663	2.0
114.09241	24.5
114.94923	8.0
115.07646	15.0
116.07159	4.0
116.92850	32.9
128.05064	21.2
129.01978	2.8
130.06619	29.4
130.08748	2.1
158.04918	2.5
158.06165	39.4
158.08208	100.0
158.89346	4.2
158.93909	4.3
159.02986	8.1
159.06522	8.3
159.08536	7.3
159.10249	1.9
172.04039	3.7
177.28406	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	158.0822
Annotation	5-Acetamidopentanoate
Peak:m/z	Relative Intensity
50.02028	0.3
55.01883	0.9
57.03450	2.9
57.35014	0.4
58.02971	2.4
59.01109	0.5
59.01385	9.4
69.03443	1.8
69.03822	0.4
69.33520	0.4
71.01376	6.2
71.05009	0.8
71.27897	0.4
72.99293	0.8
73.02944	8.6
73.39289	0.4
75.00861	0.9
83.01382	3.5
85.02944	3.9
85.06594	3.7
86.02481	0.6
86.06117	0.7
86.99093	0.8
87.00875	4.0
87.01319	0.4
87.04503	3.9
97.02950	0.8
97.06572	3.1
98.06937	0.5
99.00870	1.7
99.04479	1.0
99.92589	7.7
101.02432	4.4
111.00890	2.9
113.02425	2.4
113.09701	0.5
114.00181	1.1
114.05620	5.7
114.09246	6.0
114.94931	6.1
115.03979	2.1
115.07632	1.1
115.92093	1.9
116.07168	100.0
116.92853	28.9
117.07511	4.0
128.05060	2.4
129.01941	2.9
129.05574	2.2
130.06635	4.2
141.89032	0.5
158.06186	6.2
158.08208	18.2
158.89322	5.7
158.93912	4.6
159.02985	6.9
159.06598	3.1
159.08618	1.1
159.10332	2.1
172.04059	0.6
177.02524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0822
Annotation	3-Hydroxystachydrine
Peak:m/z	Relative Intensity
57.03453	2.8
59.01391	13.1
60.01737	1.7
62.57022	1.4
69.03464	2.4
71.01400	10.7
73.02952	14.3
74.31751	1.4
80.08833	1.4
83.01403	2.5
85.02927	3.2
86.99124	1.5
87.00880	3.5
95.05020	5.7
97.02914	1.6
97.06590	24.8
98.06126	1.6
99.00855	2.6
99.04493	2.2
99.92565	10.3
101.02421	3.7
101.22552	1.5
101.97534	1.6
103.02148	1.4
111.00838	6.3
113.02399	1.9
114.09238	28.6
114.94919	3.3
115.07639	41.9
115.92101	1.5
116.07167	1.6
116.92863	29.0
117.02083	1.7
121.02917	6.0
128.05040	15.7
129.01909	3.6
130.06595	20.5
130.08704	8.5
130.22157	1.5
146.06056	2.4
158.06180	31.5
158.08209	100.0
158.75989	1.3
158.89319	2.2
159.02928	8.4
159.05553	9.0
159.06696	20.8
159.08575	3.5
159.10086	2.0
172.03978	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	163.04
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
65.76713	0.1
72.66161	0.2
78.95263	0.1
85.22404	0.2
91.05507	0.4
92.05070	0.4
93.03432	1.3
102.92720	0.2
108.60513	0.2
117.03452	0.2
119.05018	100.0
120.04512	0.8
120.05338	5.4
122.71957	0.2
154.72766	0.2
162.89273	0.3
163.04007	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	163.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61047	23.5
67.55126	23.5
95.67632	26.1
163.11266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
50.58726	0.7
52.22926	0.7
52.75916	0.6
63.09448	0.7
66.49851	0.7
69.33852	0.8
72.00907	39.2
75.64041	0.8
91.05520	3.6
118.15821	0.8
119.05031	0.9
121.02950	1.7
147.04533	100.0
148.04846	7.0
163.13910	0.9
164.07188	54.7
165.07507	4.9
175.29559	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0403
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
55.01870	3.1
55.06104	0.5
57.03452	1.5
59.01384	7.5
68.57239	0.6
71.01366	3.6
72.99303	6.7
75.00868	100.0
76.01205	0.8
85.02936	1.3
87.00867	2.5
89.02432	3.0
99.00847	2.4
101.02439	0.9
105.01965	0.9
129.01944	11.9
147.02986	3.9
149.07228	0.6
165.04045	40.6
166.04337	1.0
178.24901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17336	0.2
60.40313	0.3
77.03951	2.4
92.02702	0.3
93.03446	17.1
94.02917	0.3
95.01398	0.4
96.89129	0.3
108.02174	4.6
120.02160	0.3
121.02945	51.5
122.03256	2.6
123.04498	0.6
123.75339	0.3
135.04517	100.0
136.04849	5.2
165.01915	3.8
165.05553	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	165.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87869	0.3
59.01400	0.3
66.03496	0.3
71.01379	0.3
75.00875	0.3
77.03954	5.3
82.94445	0.3
85.02940	0.3
93.03452	3.0
99.92472	0.3
112.85287	0.3
121.02943	67.8
121.06545	0.5
122.03816	10.2
122.06108	1.3
124.00718	0.7
128.23807	0.3
137.02461	0.3
144.65779	0.3
147.04553	0.4
150.03215	100.0
151.03574	5.4
164.89571	0.6
165.01930	4.8
165.04161	0.5
165.05556	12.0
165.06866	0.6
166.05931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0555
Annotation	3-(3-Hydroxyphenyl)propanoic acid
Peak:m/z	Relative Intensity
52.86567	0.4
55.64555	0.3
57.11139	0.4
59.01374	1.7
59.50865	0.4
64.04170	0.4
66.03481	1.1
72.99295	18.2
75.00846	0.8
77.03957	5.5
80.05047	0.5
84.61272	0.4
86.39220	0.5
91.05510	0.9
93.03459	4.1
101.03938	1.7
108.02081	0.5
119.04999	21.4
120.05339	1.0
121.02927	100.0
121.04810	2.2
122.03261	6.3
122.06055	0.9
124.00659	0.7
147.04504	55.2
148.04834	4.2
150.03224	3.5
164.89662	0.8
165.01918	9.3
165.04146	1.1
165.05542	20.1
165.06860	1.0
166.05940	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	165.0556
Annotation	3-(3-Hydroxyphenyl)propanoic acid
Peak:m/z	Relative Intensity
53.52990	0.3
59.01382	0.7
66.03482	0.8
72.99307	16.8
75.00856	0.5
77.03969	4.4
91.05534	0.5
92.05083	0.8
93.03450	3.4
93.05367	0.5
94.02956	0.5
101.03996	0.6
108.42719	0.5
119.05027	18.5
120.05333	0.7
121.02949	100.0
121.04826	2.2
121.06567	1.7
122.03267	7.4
122.06110	1.8
124.00716	0.7
135.04471	0.7
137.02414	0.6
147.04529	52.0
148.04878	3.8
148.69467	0.4
150.03261	3.8
164.89601	0.7
165.01936	9.3
165.04169	0.7
165.05565	17.9
166.02205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.035
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
51.35429	0.3
59.93269	0.5
63.20246	0.3
63.30526	0.4
65.00358	1.5
65.68317	0.3
77.73223	0.3
80.02705	0.8
81.03493	0.3
91.01894	7.2
95.01383	0.9
108.02174	47.4
109.02504	1.6
111.00914	0.5
120.44305	0.4
123.04520	20.4
124.01677	0.8
124.04860	0.6
125.02493	0.6
132.86774	0.4
152.01166	100.0
153.01506	3.7
167.03502	21.2
167.06082	5.8
168.03920	0.7
171.45787	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04290	1.6
58.02707	3.7
58.02981	100.0
87.00879	3.9
90.30252	1.8
93.61765	1.8
102.79300	1.8
108.04562	2.4
112.28102	1.8
127.61744	1.8
131.77411	1.8
148.43611	2.0
153.32550	2.3
168.13918	11.5
178.58691	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	168.9811
Annotation	(R)-2-O-Sulfolactate
Peak:m/z	Relative Intensity
55.68732	1.0
56.58043	1.0
60.28624	1.0
60.63193	1.2
61.69015	0.9
71.01377	100.0
72.01731	1.2
79.74897	1.0
79.95731	2.6
80.96514	42.9
85.32337	1.0
87.00871	1.3
96.95988	2.4
106.98051	1.6
114.38594	1.1
123.04530	1.8
124.93636	1.9
131.51038	1.1
150.97050	62.5
151.11192	1.7
160.61693	1.2
168.96625	2.8
168.98112	67.2
169.04012	4.7
169.05168	5.6
169.98418	1.5
182.89043	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	169.0272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41767	2.3
58.42941	2.5
66.58248	3.1
70.02965	17.3
71.01379	100.0
73.91071	2.9
76.56973	2.8
78.95887	3.0
79.95708	4.4
80.96500	34.2
81.03455	3.6
87.00857	3.0
87.22824	2.8
92.65070	3.0
96.95991	14.0
98.02488	6.1
109.02929	4.9
114.01977	4.4
123.04546	4.4
125.06124	4.3
131.04599	11.8
133.05026	13.7
140.03535	14.0
150.97057	55.7
163.20921	3.4
168.83630	4.1
168.98108	59.4
169.01668	5.9
170.04549	16.6
175.61066	3.2
188.61374	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	170.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75998	0.6
57.72090	0.6
62.76260	0.6
64.58367	0.8
65.03954	0.8
69.03445	1.0
70.02980	1.6
83.05027	1.8
84.04554	1.6
92.11838	0.9
94.02972	6.2
96.00875	0.9
96.04507	1.0
97.01643	1.3
97.02942	4.3
98.02446	3.0
99.00812	0.8
109.02942	1.4
110.02470	12.6
112.04044	6.7
122.02490	6.8
124.04018	4.5
125.00240	1.2
125.01170	33.0
127.00433	0.8
133.42355	0.7
138.01974	17.8
139.02750	11.5
140.03534	100.0
141.03886	3.3
152.03526	2.9
168.03029	1.4
170.04578	70.7
171.04890	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	170.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
67.14912	0.5
69.03442	0.8
70.02962	1.3
82.95394	0.6
83.05006	2.5
84.04545	2.5
85.02982	0.7
94.02961	5.6
96.00895	1.1
97.01685	1.0
97.02927	3.1
98.02459	2.8
99.00830	0.7
106.72276	0.5
109.02956	1.0
110.02465	12.2
110.19949	0.6
112.04031	7.5
113.10552	0.6
120.99900	0.7
122.02431	5.9
124.04001	4.9
125.01176	35.1
127.04007	0.8
138.01952	18.8
139.02760	10.1
140.03528	100.0
141.03870	3.5
148.23579	0.6
152.03514	1.3
168.02968	1.2
170.04570	71.9
171.04929	2.5
171.10330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0664
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
54.38992	1.1
55.01887	1.3
59.01376	8.7
61.98829	1.9
69.03471	1.2
69.87272	1.1
70.66312	1.3
71.01377	2.6
71.05007	1.8
73.02936	1.4
75.00879	1.3
75.95417	1.3
76.48161	1.3
78.95868	1.1
82.99133	2.2
82.99610	56.4
83.05012	9.0
83.99914	1.9
84.02163	7.1
84.52413	1.0
85.02928	2.5
87.15514	1.2
89.02436	16.2
95.07268	1.1
99.00835	1.2
99.04504	5.8
103.79016	1.2
104.14137	1.2
109.06570	16.6
110.40989	1.3
113.02374	1.5
116.05015	1.3
126.98613	15.6
127.07640	100.0
127.11240	2.1
128.07970	2.2
128.90094	1.6
130.08733	27.7
134.86533	2.2
144.04570	6.5
153.05640	1.8
170.83359	12.6
171.06628	66.3
171.10263	36.3
171.13976	2.2
171.83296	1.3
172.04013	4.8
172.07079	2.3
172.09770	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	171.1026
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
51.02284	0.8
54.82519	1.3
57.00354	0.8
59.01369	1.2
70.14558	0.9
71.01333	1.1
73.02944	1.7
85.02962	1.0
112.77371	1.0
116.65829	1.0
125.09708	2.2
126.40288	1.0
127.07607	5.9
127.11261	7.6
130.08716	1.6
132.71616	1.1
148.70309	1.1
166.31348	1.1
171.01942	1.7
171.10266	100.0
172.10579	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	173.009
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
58.02980	0.5
59.01367	0.6
67.01895	0.3
73.02913	0.3
80.76814	0.3
85.02946	100.0
86.03284	2.7
88.04036	0.4
102.05614	0.5
106.84018	0.3
111.00878	13.1
111.04539	1.2
112.01180	0.4
113.02436	0.6
117.90179	0.3
129.01932	17.0
129.05577	0.4
155.03465	0.3
173.00893	1.3
173.04596	0.5
193.34927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0192
Annotation	5,7-Dihydroxycoumarin
Peak:m/z	Relative Intensity
59.01392	29.7
65.00317	0.4
71.01373	0.5
71.01760	0.4
77.03965	9.9
77.72944	0.4
87.70818	0.4
89.03960	2.7
95.05016	17.7
96.05339	0.4
97.96767	0.4
105.03453	48.9
106.03764	2.3
121.02922	0.7
122.26358	0.4
123.04504	3.8
132.02164	2.9
133.02946	100.0
134.03258	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	178.9505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46040	0.3
52.00234	0.3
55.62486	0.3
59.01389	9.4
59.37275	0.3
65.67988	0.4
66.67464	0.3
71.01388	5.5
72.99338	0.5
89.02447	3.7
96.95998	0.7
98.07912	0.4
101.02438	0.4
134.96091	4.7
135.30159	0.4
136.93994	100.0
137.94066	7.9
151.92709	13.0
152.92786	0.8
157.06648	0.4
174.08847	0.4
178.95050	39.7
179.95142	4.6
196.96196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30796	1.1
51.31049	0.9
59.01384	1.8
71.01364	1.7
72.00906	29.7
74.02467	1.8
78.98582	1.8
89.01862	1.3
89.02396	1.5
93.03451	25.6
106.04266	1.8
107.05009	1.4
109.02959	2.5
119.05020	86.7
120.05364	3.2
162.05644	1.9
163.04002	86.4
164.04362	2.6
179.00426	1.2
180.06654	100.0
181.07048	7.9
183.10687	1.4
194.19597	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0507
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
59.01388	5.7
61.02491	0.6
66.08904	0.6
67.01887	1.3
71.01376	3.3
73.02937	0.7
79.74745	0.6
81.03452	0.7
89.02440	2.4
93.03458	3.3
95.01398	2.5
101.02419	2.6
105.08697	0.6
109.02946	4.9
123.00874	21.9
124.01634	1.1
125.01009	0.6
137.02455	2.9
138.03181	0.9
151.00371	98.1
152.00723	5.3
165.01935	1.3
166.02710	100.0
167.02986	5.6
181.05070	17.0
181.06735	1.1
181.07307	1.0
182.05411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.046
Annotation	3-Carboxy-4-methoxy-N-methyl-2-pyridone
Peak:m/z	Relative Intensity
54.82770	0.2
55.01881	0.3
59.01374	1.3
60.80775	0.3
61.98839	0.4
62.51672	0.3
69.03419	0.3
71.01382	0.4
73.02947	0.4
75.87970	0.3
78.03506	0.5
79.95719	0.5
81.03436	0.4
83.04998	0.3
90.02821	0.3
93.03443	1.7
94.02982	0.5
94.03778	1.6
95.01349	0.5
95.05046	2.3
95.05594	0.3
96.04554	0.5
99.04486	0.3
101.02432	1.9
109.02948	4.7
110.03253	0.7
110.06110	0.3
111.04543	2.6
112.05176	2.6
121.06664	0.4
123.03260	50.4
124.01711	0.4
124.03581	1.4
133.45180	0.4
135.83315	0.3
137.06107	0.5
138.05605	100.0
139.04195	0.3
139.05980	5.7
139.07661	0.6
142.03281	0.3
150.02725	0.4
164.03490	0.5
165.05554	1.3
166.02693	0.4
167.03061	6.6
168.00642	0.5
182.01741	0.3
182.05418	1.9
182.99773	0.4
183.03041	0.4
183.06627	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	182.0459
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
59.01366	0.4
66.03508	0.4
68.57669	0.4
69.03445	0.3
79.12664	0.3
79.95724	0.7
83.04999	0.3
88.66976	0.4
92.05059	5.3
94.02988	2.3
97.98058	0.3
108.04552	67.5
109.02954	1.8
109.04890	2.2
110.02477	0.5
110.06120	0.7
111.04514	0.5
120.04531	6.4
122.02467	0.9
123.03263	1.5
136.04012	0.7
138.05600	100.0
139.05928	3.3
142.65196	0.4
182.04582	23.7
182.99602	0.7
183.04907	1.5
183.06671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.9933
Annotation	Chelidonic acid
Peak:m/z	Relative Intensity
55.38522	0.4
56.40686	0.4
59.01387	0.5
59.82799	0.4
67.01889	100.0
68.02222	2.1
68.99812	3.8
76.57491	0.5
80.31101	0.4
83.05014	0.6
95.01393	0.9
109.02966	3.1
111.00870	0.7
111.04530	0.8
124.01693	0.9
139.00371	15.7
140.00789	0.5
165.05579	0.6
183.03015	0.7
183.06682	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73251	0.5
66.89536	0.5
69.03470	1.0
72.99303	1.0
79.87608	0.5
79.95728	0.5
83.05006	0.7
92.11781	0.9
93.03457	2.3
93.56902	0.5
95.05032	0.8
97.02934	0.7
107.01379	0.8
109.02933	6.6
110.00084	9.4
111.04488	3.9
121.06559	0.7
123.00882	0.8
123.04503	0.8
124.01635	0.9
125.02416	7.1
137.99565	11.0
139.07686	0.8
145.63379	0.5
148.00140	0.5
153.01923	100.0
154.02286	5.3
154.51472	0.5
161.94052	0.5
165.05487	1.1
168.04259	29.5
169.04590	0.9
183.06639	2.1
183.10187	0.9
184.06104	0.8
197.52483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1027
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
52.60316	1.5
56.17521	1.7
57.03444	2.3
59.01381	4.7
64.19818	1.7
64.38297	1.9
69.82680	1.9
78.02091	1.7
83.05006	4.8
85.02938	2.6
93.03430	4.6
97.02931	3.1
101.02439	4.7
109.02944	30.9
111.04477	10.8
111.08132	3.0
112.04038	2.7
123.00928	2.4
123.04539	3.3
137.09674	5.0
139.07617	10.1
139.11281	24.1
157.12337	3.1
165.05540	3.6
168.00555	2.4
179.97380	2.1
183.06657	12.1
183.10257	100.0
184.10686	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	184.0615
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
56.68904	0.9
59.01385	57.1
65.72275	1.0
65.98318	0.9
69.03445	1.3
70.02950	1.2
71.01373	10.5
72.98914	0.9
84.04534	11.8
86.36117	1.0
89.02483	1.2
92.12234	1.5
92.47485	1.1
94.02943	4.6
95.05009	1.9
96.00864	1.0
97.01678	5.8
97.06550	2.2
98.02458	5.4
109.46565	1.3
110.02452	4.7
110.03252	1.6
112.04041	100.0
113.02412	2.0
113.04384	2.7
122.06109	6.6
124.04030	69.4
125.02424	1.4
125.04389	2.0
140.07175	36.0
141.05608	1.5
166.05025	2.8
184.06145	75.4
185.06473	4.4
185.80402	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80742	0.8
51.42402	0.8
54.39783	0.9
59.01387	97.8
73.02931	1.3
78.35608	1.0
79.11787	0.9
85.02946	1.2
97.06541	1.7
115.02492	1.7
117.00430	12.5
125.06133	1.1
125.09712	17.8
127.05080	1.2
142.89360	1.1
158.39043	1.0
159.01488	100.0
160.01598	8.6
162.81760	0.9
187.01047	11.6
187.09712	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	187.0378
Annotation	Unknow
Peak:m/z	Relative Intensity
75.89635	44.8
76.58120	44.5
98.02457	100.0
104.65649	56.1
114.05603	95.5
116.03537	99.4
142.05176	80.4
144.03006	98.4
147.75371	46.5
148.78088	50.1
179.51984	50.8
187.03673	83.1
188.05582	75.8
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	19461-38-2
Peak:m/z	Relative Intensity
56.98022	2.7
57.41320	1.9
58.02982	24.3
59.01104	4.3
59.01381	91.8
67.01902	6.1
71.01363	4.5
71.05023	4.2
72.99275	2.8
73.02937	18.4
73.04058	37.1
81.03421	3.3
83.01431	2.9
83.05025	22.0
84.04650	2.6
85.02937	5.5
97.02929	6.0
97.06580	15.8
99.04507	32.2
99.92588	2.6
99.98638	10.0
102.05592	53.1
111.00873	57.9
112.01190	2.4
114.09244	3.4
114.38745	2.4
115.04010	4.5
115.65430	2.2
116.03497	2.5
116.07146	5.3
123.08163	2.4
125.02419	20.5
125.06095	39.6
125.07010	3.6
125.09713	45.6
127.04005	5.5
127.05125	4.8
130.08717	100.0
131.09094	3.0
143.03514	15.1
143.07135	30.9
143.11885	58.6
144.04549	38.8
144.06624	6.1
144.10249	3.4
145.06143	2.6
153.95282	2.5
169.05145	8.6
185.31497	2.4
185.44901	2.3
187.05119	28.1
187.06299	17.0
187.09648	16.9
187.11028	70.5
199.54385	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	187.1339
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
51.42327	0.9
51.48271	1.0
57.03438	1.4
58.02964	2.2
59.01385	22.2
60.54771	1.3
93.44128	1.1
95.84009	1.2
97.06564	4.4
99.04528	1.4
99.66097	1.1
105.01912	1.3
123.08120	4.2
123.94579	1.7
125.09705	39.0
127.05106	2.3
127.87315	2.2
130.57826	1.2
138.28664	1.1
139.11270	4.5
141.12851	100.0
142.13136	2.7
143.10701	1.6
144.04547	1.1
169.12445	2.1
187.06110	1.3
187.09702	17.5
187.13383	77.1
188.13805	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	188.0927
Annotation	(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate
Peak:m/z	Relative Intensity
50.88063	0.6
52.56523	0.7
57.03442	1.2
58.02966	5.0
59.01151	0.7
59.01381	12.0
69.03471	1.0
70.02983	0.9
70.31699	0.7
71.01373	8.8
71.05007	3.5
72.00906	1.3
72.04536	1.0
72.99306	11.4
73.02928	1.3
74.02472	16.7
75.00852	1.8
83.01387	1.3
83.05025	12.6
85.02953	1.7
87.00868	4.9
87.04503	1.4
88.04050	0.9
97.02929	1.2
98.02457	9.4
98.09767	1.8
99.00857	1.0
99.04507	6.4
100.04023	2.1
100.07677	8.9
101.06065	4.1
102.05593	19.7
113.06072	7.4
114.05576	3.6
115.03979	3.9
115.07639	13.8
116.07156	15.3
125.02454	0.8
126.02779	1.6
126.05587	1.8
126.09209	1.3
127.04002	3.9
128.03525	11.7
129.01903	1.8
130.08707	7.1
142.05098	4.6
142.08707	8.8
143.04623	1.0
144.04547	5.1
144.06644	7.3
144.10298	100.0
145.04066	43.0
145.05186	1.9
145.10683	6.5
146.08221	15.9
155.04636	1.6
162.55775	0.8
170.04594	3.5
170.08203	3.0
172.06157	1.0
187.36307	1.0
188.02785	1.3
188.05653	5.4
188.09277	72.6
189.03859	0.9
189.05411	1.0
189.07678	3.1
189.09279	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	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
54.62867	0.5
57.03455	7.5
59.01378	1.0
59.20913	0.5
64.00393	0.5
64.53165	0.6
67.01889	3.2
68.11008	0.5
72.99297	1.0
78.59772	0.6
85.02946	32.8
85.03465	1.1
86.03267	0.7
87.00870	52.8
89.73997	0.6
111.00874	100.0
112.01212	3.9
119.27048	0.6
129.01938	6.5
129.05678	0.6
129.32878	0.6
173.00874	2.9
191.01938	11.7
191.05600	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Citric acid
Peak:m/z	Relative Intensity
54.18427	0.4
57.03455	6.0
59.01369	0.7
60.58230	0.4
64.08972	0.4
67.01888	2.9
72.99310	7.5
73.02945	11.9
83.01380	0.6
85.02949	35.7
86.03289	0.8
87.00873	36.4
92.12369	0.9
98.06719	0.4
99.00876	1.9
101.02431	0.7
111.00880	100.0
112.01210	2.8
114.54285	0.4
117.01932	8.8
129.01953	8.8
130.99841	0.6
154.99866	8.0
173.00922	11.0
191.01971	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	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
51.11662	0.5
57.03454	5.8
59.01374	1.0
67.01881	3.2
75.03820	0.5
77.51964	0.6
85.02943	30.7
86.03280	0.7
87.00864	51.2
88.01185	0.8
88.10260	0.6
111.00871	100.0
112.01229	4.8
129.01950	5.8
130.99815	0.7
154.99802	0.7
164.35716	0.6
173.00865	0.8
188.34479	0.6
191.01970	13.7
199.84456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Citric acid
Peak:m/z	Relative Intensity
53.30549	0.4
54.59560	0.5
57.03461	7.0
59.01390	15.0
61.98846	0.6
67.01891	2.6
73.02967	0.9
80.45932	0.5
83.01380	0.7
84.73804	0.4
85.02951	32.8
87.00877	52.2
110.08625	0.6
111.00883	100.0
112.01215	3.2
117.01965	0.6
129.01935	6.6
130.99893	0.7
131.48940	0.5
154.99910	0.9
163.54880	0.7
173.00909	2.6
177.74838	0.5
180.68567	0.5
190.88316	0.6
191.01996	10.8
191.03653	0.8
191.05603	0.7
191.10812	2.4
192.03130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03444	6.9
59.01387	15.4
63.90010	0.6
64.34572	0.7
67.01897	4.0
69.38775	0.8
73.02943	1.1
85.02956	35.5
86.03265	0.7
87.00883	48.8
88.01220	1.2
111.00880	100.0
112.01208	1.8
117.17394	0.7
129.01938	5.0
165.02068	0.8
173.00977	1.5
191.02000	11.9
191.03578	1.4
191.10794	4.8
192.03107	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0667
Annotation	Northalifoline
Peak:m/z	Relative Intensity
59.01109	0.4
59.01387	10.6
60.01713	0.8
61.89066	0.3
71.01373	0.5
73.02935	1.5
77.30127	0.3
78.19887	0.4
85.02942	0.7
87.00846	0.7
98.30693	0.4
101.02416	0.4
129.96855	0.4
133.02946	1.7
134.03729	2.6
135.03242	0.8
137.02406	0.5
148.07732	1.0
149.04811	0.5
149.05983	0.4
150.94824	0.5
159.03291	0.8
160.03990	0.5
161.04578	0.5
176.03532	66.1
177.04315	100.0
178.03107	0.5
178.04680	5.5
192.06680	18.6
193.05109	0.8
193.07010	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	16.8
59.01384	56.9
60.01704	1.0
61.01815	1.0
62.92755	0.9
64.78198	0.9
69.03424	1.2
71.01382	9.5
72.99273	1.4
73.02937	23.3
79.05520	2.3
85.02930	7.3
87.00864	3.9
89.02382	1.3
93.03427	9.5
97.02930	2.4
99.00881	2.6
101.02440	7.7
102.05637	1.0
103.05541	1.3
103.72612	1.1
105.07092	99.7
106.07417	5.0
107.05017	1.8
115.03958	1.1
121.02894	1.2
121.06544	5.5
125.02394	1.3
130.04250	1.2
131.05005	4.9
134.03690	9.8
134.52953	1.0
141.01953	1.9
147.04517	1.9
149.06076	73.7
150.05458	1.4
150.06526	2.5
150.94807	2.2
151.43527	1.0
155.03473	1.1
160.29787	1.1
161.04518	7.5
175.04002	2.1
178.02646	8.2
192.95926	1.1
193.05061	100.0
193.07063	6.2
194.05377	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	193.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54731	0.5
54.39255	0.5
55.01873	0.7
58.16423	0.7
59.01386	59.8
60.01712	0.6
61.01784	0.9
69.03460	1.6
71.01385	10.6
72.78272	0.6
72.99314	1.5
73.02946	22.5
74.99085	0.8
83.01378	0.7
84.08299	0.6
85.02940	6.9
86.00095	0.7
86.99076	0.8
87.00865	2.9
89.03957	0.8
92.65388	0.8
94.03028	0.8
97.02929	4.3
99.00867	3.3
101.02432	8.0
103.00314	0.8
105.07087	1.3
106.04256	0.7
108.02222	1.1
108.04571	1.6
109.02936	1.3
111.00916	0.8
113.02454	1.3
115.04018	0.9
117.03450	4.3
121.02982	1.7
125.02476	1.1
133.02939	1.6
134.03734	100.0
135.04086	3.8
137.02435	3.5
139.03996	1.2
141.01878	0.6
149.06084	9.0
149.09731	2.8
150.94797	4.1
161.04573	4.9
165.05646	0.8
178.02701	15.6
179.02942	1.0
192.95865	1.4
193.05084	13.9
193.07150	7.0
205.66721	0.7
212.79190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0298
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
50.91162	0.1
59.01387	1.5
69.03448	0.2
71.01400	0.2
75.00845	0.2
75.99719	0.2
78.22263	0.1
80.92273	0.2
81.35719	0.2
81.86334	0.2
92.02681	0.3
94.02948	0.2
95.01374	1.1
108.02166	6.5
108.04556	1.9
109.02960	0.3
122.06149	0.3
123.00837	0.2
123.08067	0.2
131.83763	0.2
136.01649	100.0
137.01973	2.9
138.03163	0.3
151.00414	0.3
151.03999	7.6
152.03476	0.3
171.48309	0.2
180.00636	5.2
180.04237	0.2
180.98607	0.2
195.02986	22.0
196.03380	1.3
211.17441	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0298
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
58.11938	0.3
59.01390	2.3
61.98829	0.2
66.03517	0.2
66.18178	0.2
67.01942	0.2
68.17778	0.2
75.00883	2.2
79.95747	0.2
87.00954	0.2
95.01385	0.5
107.57655	0.2
108.02169	7.5
108.04550	0.4
118.26041	0.2
121.02962	0.3
122.03715	0.9
123.04534	0.6
125.02429	0.3
136.01651	100.0
137.01958	3.3
138.03210	0.3
149.83647	0.2
150.03220	10.3
151.00305	0.4
151.04016	6.9
151.08763	1.5
160.84169	0.9
165.05563	4.6
166.05949	0.3
180.00655	4.4
180.04268	1.5
195.02983	21.6
195.06555	1.9
196.03339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0512
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
55.01863	0.5
57.03450	5.6
58.00604	0.5
58.99607	1.7
59.01387	26.6
59.01686	0.9
62.55134	0.4
69.03445	0.4
71.01384	13.0
72.99306	9.8
73.02948	0.6
75.00871	100.0
76.01219	1.4
78.95895	8.4
83.01389	0.9
84.78848	0.3
85.02950	8.3
87.00873	17.5
87.04541	0.4
88.73885	0.3
89.02438	8.5
96.96010	8.6
96.96952	14.5
97.02957	0.5
97.93384	0.4
99.00884	13.4
100.01192	0.4
101.02439	2.4
105.01931	9.1
107.01706	0.6
111.00887	2.1
113.02450	0.6
117.01888	0.4
129.01939	30.3
141.01964	1.9
147.02980	3.3
159.02994	8.4
160.03464	0.4
176.93605	0.7
177.04036	6.6
195.05113	77.9
196.05463	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
74.61134	0.2
75.00880	1.1
78.45429	0.2
79.95737	0.4
80.05084	0.3
95.01403	0.4
108.02185	3.9
108.04558	1.4
108.43294	0.2
122.03731	9.3
122.06108	1.1
123.04575	1.6
136.01651	39.5
137.01950	2.0
150.03221	100.0
151.03633	4.4
151.07730	0.2
165.05560	43.1
166.05898	2.0
169.56961	0.2
173.05673	0.2
180.00748	1.7
180.04282	13.4
181.04678	0.4
195.02995	10.0
195.06618	11.4
196.06612	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58977	0.4
57.03450	1.8
58.99598	0.7
59.01381	2.2
60.83302	0.4
80.02674	3.5
81.03445	2.9
95.05019	75.4
96.05355	2.6
108.02194	0.7
109.06593	0.5
120.05740	0.7
123.08170	0.5
130.40182	0.5
135.04553	0.7
135.08154	66.2
136.08473	3.0
149.09712	4.6
151.11281	100.0
152.11620	6.6
165.02026	0.6
177.09200	2.0
194.90453	0.7
195.06544	0.9
195.10269	41.9
196.10684	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	196.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35158	0.9
59.01363	4.3
61.98564	0.8
61.98827	10.8
66.03458	2.2
67.01891	1.2
69.03461	0.9
71.01370	1.5
71.29554	0.9
73.19420	0.8
75.29970	0.9
80.05058	15.0
81.03471	1.2
83.00920	1.6
83.01385	27.5
84.08073	1.0
85.02949	1.3
93.03458	1.8
94.02972	25.7
95.01360	5.8
96.04535	1.1
97.02987	1.2
99.04494	1.0
101.02522	1.1
103.92014	2.6
108.04549	65.1
110.02444	1.3
121.01672	2.4
121.02960	7.6
122.02459	20.6
123.00855	23.7
124.03989	4.3
125.02386	1.7
126.90462	1.3
134.06122	1.0
136.04012	9.4
137.02425	1.3
138.03232	2.4
148.03995	1.3
152.03522	17.2
152.07188	1.1
152.88655	1.1
153.05522	5.7
153.92175	1.1
154.05104	6.4
160.84216	14.8
164.03514	17.4
165.04268	5.1
166.99864	15.1
182.02208	26.7
195.81113	5.0
196.06154	100.0
197.04539	10.1
197.06479	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40664	0.5
55.09362	0.5
59.01378	2.7
61.98573	0.6
61.98836	8.3
66.03468	3.6
71.01371	0.8
73.02947	1.2
83.01380	23.1
85.02955	0.8
87.92882	0.7
94.02966	12.1
95.01364	3.5
101.02428	0.8
102.40755	0.7
103.92020	1.3
108.04544	5.0
109.02971	1.3
116.92900	0.7
117.98142	0.7
121.01669	1.4
121.02948	5.6
122.02474	17.5
122.06109	1.2
123.00869	14.8
124.03976	1.3
125.02432	0.9
126.90393	0.8
134.43872	0.7
136.04025	10.5
137.02391	0.8
138.03227	3.0
152.03435	0.8
153.05547	4.4
153.92180	0.8
154.05087	3.9
160.84196	15.0
164.03519	16.6
165.04271	3.0
166.05099	1.1
166.99829	8.6
182.02200	18.2
185.65192	0.8
192.66566	0.8
195.06689	0.7
195.81065	4.1
196.06148	100.0
197.04530	8.2
197.06438	3.6
213.73849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0978
Annotation	3,5-Dimethoxytyramine
Peak:m/z	Relative Intensity
51.70282	0.4
52.71005	0.4
57.85202	0.4
59.01359	0.6
66.03500	0.7
69.03444	0.7
83.01382	24.7
88.58909	0.5
92.11624	0.8
94.02975	0.6
95.01392	4.1
99.54533	0.6
103.09816	0.5
114.28758	0.5
121.02950	2.3
123.00866	16.7
124.04057	0.7
125.02412	1.2
136.04021	0.8
138.01962	20.6
138.03169	2.6
139.02740	21.5
148.96111	0.5
150.05519	0.5
153.05563	1.3
153.09193	0.7
154.08743	1.0
166.99835	10.3
171.01756	0.7
178.08730	1.2
182.02206	19.7
196.01521	0.7
196.09781	100.0
197.04559	6.9
197.10110	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	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.32441	0.5
55.27113	0.5
57.53174	0.5
69.03426	0.8
71.05001	0.8
76.17274	0.6
94.02976	0.6
94.05316	0.5
95.01378	3.0
97.06582	15.5
99.08150	4.1
116.92831	1.1
121.02919	2.9
122.03709	2.3
123.00883	12.6
137.09711	1.3
138.03195	3.0
151.24457	0.5
153.05600	1.2
153.12857	100.0
154.13171	4.6
166.99840	8.6
179.10770	25.3
180.11169	0.9
182.02206	14.7
183.02563	0.7
183.47873	0.6
197.04601	5.7
197.11839	8.3
214.18565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0976
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.36184	0.3
55.01872	0.3
57.03443	1.5
59.01379	1.8
60.14989	0.3
61.07350	0.3
67.21556	0.3
69.03447	1.6
71.01357	0.7
71.05019	7.3
73.02939	5.7
83.01393	0.4
83.05013	0.7
85.02952	3.0
87.00874	0.5
99.04472	1.4
101.02404	0.7
109.02927	0.6
113.02448	8.9
116.92850	1.7
125.02421	2.1
127.04014	4.4
130.21892	0.3
135.04404	0.3
135.08163	2.6
137.06065	0.4
137.09714	8.4
139.04021	0.7
140.03546	0.4
155.10779	100.0
156.11142	3.6
199.06142	2.0
199.09781	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	199.0978
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
54.82655	0.6
55.01884	1.2
56.14285	0.6
57.03445	3.5
59.01380	4.3
62.10221	0.6
69.03450	5.1
71.01372	4.6
71.05021	20.5
73.02937	4.9
77.08722	0.7
78.03484	0.8
81.03438	1.3
83.01384	2.8
83.05024	1.4
85.02953	7.6
87.00867	1.0
95.05031	1.2
97.02971	1.4
99.04505	6.1
109.02957	1.2
111.04511	1.2
113.02435	21.2
116.92850	4.8
125.02434	3.1
127.04006	14.0
137.06020	1.3
137.09720	6.5
139.04085	0.9
139.54208	0.7
155.10774	100.0
156.11093	4.6
187.35129	0.7
199.06177	5.4
199.09760	10.2
199.13408	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	201.0043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00063	1.1
59.01386	2.7
60.99312	9.0
64.34541	1.1
67.01904	9.0
68.99817	42.2
69.03460	2.6
70.60534	1.0
71.01380	7.0
77.79545	1.1
78.95900	5.6
79.85763	1.3
85.02952	7.5
87.00851	1.8
92.65829	1.4
95.01382	100.0
96.01740	1.2
113.02437	2.9
121.02968	5.1
131.88454	1.2
139.00357	24.1
180.22911	1.3
186.03252	1.6
201.00349	9.0
201.11374	4.7
201.14970	14.2
202.93036	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	201.1133
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
54.11662	0.3
55.01845	0.4
57.03440	0.8
58.00587	2.4
59.01383	26.4
72.17460	0.4
73.02950	0.9
85.02959	0.5
92.11758	0.8
95.01396	0.6
97.06544	0.7
98.72332	0.4
99.92573	2.6
112.05195	0.5
116.92850	0.8
123.08160	0.6
125.09695	5.4
127.11274	11.2
130.08682	0.7
137.09705	2.4
139.00415	0.4
139.11299	2.2
141.93637	2.1
155.10765	3.9
157.10678	0.6
157.12321	0.8
159.01514	0.6
165.09198	2.7
171.10249	4.2
183.10320	1.8
199.09686	2.9
201.02568	3.1
201.11346	100.0
202.11665	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0199
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
50.28939	0.8
51.02374	1.0
54.29807	0.8
55.01871	5.1
57.03456	7.3
57.03671	0.9
58.83428	0.8
59.01387	100.0
60.99308	1.4
69.03096	1.9
69.03454	46.3
71.01380	44.0
72.99297	4.6
75.00867	4.0
79.01884	1.9
83.01399	1.7
84.48235	1.0
85.02942	8.5
87.00874	9.2
88.93286	1.0
92.65295	0.9
95.01388	7.8
97.02946	59.0
100.77844	1.0
103.92029	14.8
104.97767	7.8
106.94345	1.9
111.00874	1.6
113.02451	12.1
115.00364	5.6
115.03985	3.7
119.04591	0.9
123.00855	4.2
123.82059	1.0
125.02440	9.5
130.94377	13.2
141.01924	15.0
143.03494	5.4
148.95432	12.7
152.72118	0.9
202.94164	6.0
203.01991	68.0
203.07210	1.4
204.02362	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	203.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
57.03452	1.0
57.41592	0.2
59.01387	20.4
59.50395	0.2
60.01698	0.3
69.03461	1.6
71.01369	1.8
72.00909	17.9
72.99313	0.3
74.02470	36.3
75.02838	0.3
85.02933	0.6
85.24715	0.2
87.00854	0.3
95.01393	0.3
97.02948	2.1
97.06580	1.2
100.92577	0.3
113.02425	3.7
115.07648	1.0
116.05061	100.0
117.05385	3.6
125.02449	1.9
129.05872	0.5
130.06622	3.2
132.08151	0.3
141.05591	1.5
142.06631	29.3
143.03528	0.5
143.06995	1.4
143.86528	0.3
157.07733	1.1
159.09274	14.3
160.09625	0.6
161.04739	0.5
161.89456	0.3
174.99341	0.4
185.04553	2.2
185.07179	0.3
186.05624	3.5
203.02057	2.0
203.08289	61.4
204.08647	3.8
207.66241	0.3
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	Unknow
Peak:m/z	Relative Intensity
59.32092	0.6
72.00910	18.0
74.02077	1.4
74.02467	33.5
94.10944	0.8
116.05052	100.0
117.05401	5.7
117.42477	0.8
130.06615	1.4
142.06615	29.4
142.71689	0.7
143.07014	0.9
143.74109	0.7
150.12560	0.7
155.27612	0.8
157.07745	0.7
159.09305	13.6
167.32074	0.7
186.05617	3.5
190.61284	0.7
203.08276	60.4
204.08549	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	203.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36631	0.3
54.82932	0.5
55.01883	3.5
57.03453	3.9
59.01383	100.0
60.01710	2.0
61.98835	0.6
62.71822	0.4
69.03458	8.3
71.01377	7.2
72.99348	0.8
73.02946	1.1
75.00858	0.5
85.02953	4.0
87.00877	2.4
87.04501	0.5
94.98373	0.4
95.01399	0.7
95.05026	0.9
97.02947	8.4
97.06580	5.9
99.08163	2.2
113.02442	6.6
115.03997	0.4
116.05027	1.7
121.02934	6.5
123.08192	0.7
125.02430	5.2
125.06096	4.8
128.47211	0.4
131.09044	0.7
141.01961	1.8
141.09213	29.4
142.09598	0.8
142.25545	0.5
143.03502	3.9
143.07135	62.3
144.07529	1.6
160.89319	2.2
161.04492	0.5
161.89442	0.7
174.99231	1.0
185.08197	6.0
203.01997	9.0
203.09280	19.2
224.72615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.129
Annotation	CHEBI:79272
Peak:m/z	Relative Intensity
52.04643	0.5
55.01884	5.7
57.03216	0.6
57.03451	8.0
59.01384	100.0
60.01713	0.8
60.61810	0.4
61.98825	1.2
69.03094	0.9
69.03454	22.0
71.01376	18.0
72.65130	0.5
72.99292	4.0
73.02931	1.1
75.00854	1.1
79.01875	0.9
83.01383	0.6
85.02927	6.0
87.00858	3.6
95.01379	2.9
97.02938	22.2
99.00880	0.7
102.43696	0.5
103.92006	2.4
104.97753	4.2
113.02438	9.2
115.00333	2.4
115.03999	0.8
116.05052	0.6
117.01993	0.7
121.19714	0.5
123.00928	0.5
125.02427	5.3
125.09767	0.5
127.11279	14.0
128.11609	0.6
130.94383	2.2
141.01923	5.4
141.09235	2.5
143.03476	4.8
148.95403	1.2
155.10762	11.2
157.12326	48.2
158.12610	2.9
159.63394	0.6
160.89275	0.9
161.04633	0.7
161.89423	0.9
201.11371	0.9
202.94246	2.0
203.01968	24.6
203.03760	1.1
203.12898	90.1
204.02321	1.1
204.13164	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	204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.2
57.03457	0.3
59.01386	18.0
60.01724	2.7
61.01808	0.3
61.98835	100.0
71.01384	0.4
80.93650	0.2
103.16245	0.2
110.30037	0.2
113.02480	0.3
126.02839	0.3
136.50685	0.2
142.29117	0.2
144.89168	0.2
161.89429	0.4
162.01648	0.2
162.89359	0.3
168.88940	0.2
204.00034	1.4
204.02751	0.4
204.06631	0.5
205.05182	0.3
211.98175	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86036	0.5
54.22307	0.6
54.83004	0.6
57.03444	0.8
59.01381	1.3
67.01886	0.8
71.01379	0.6
71.05017	19.7
72.99277	2.0
73.02957	1.1
79.79570	0.6
81.03449	7.9
83.01381	0.6
83.05016	0.6
85.02939	1.1
86.97524	0.6
87.00873	36.5
88.04047	1.1
92.66219	0.6
99.00880	1.0
99.04512	16.5
101.02438	21.1
111.00869	5.7
113.69816	0.7
115.03989	3.3
118.40716	0.6
125.02438	100.0
126.02775	3.9
127.17398	0.6
143.03502	3.4
143.07098	0.8
145.01443	4.1
145.05058	0.8
154.99872	0.7
171.46768	0.7
187.02469	4.9
205.03558	17.7
205.07243	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0823
Annotation	2-acetamido-4-methylphenyl acetate
Peak:m/z	Relative Intensity
55.01900	1.9
57.03446	1.1
58.02982	100.0
59.01384	33.7
60.01698	0.6
61.86967	0.6
61.98819	0.7
71.01363	2.6
73.02911	0.7
75.00874	1.4
85.02945	1.5
89.02464	1.0
99.00880	0.9
101.02419	1.4
129.01944	4.6
147.02985	5.9
147.04468	1.4
147.93813	0.6
161.04510	2.7
162.09343	0.7
163.04027	0.7
164.07176	26.3
164.08548	0.8
164.89575	1.1
165.07509	1.0
189.85352	0.6
192.00629	1.4
205.15968	1.2
206.04840	0.7
206.08235	26.1
206.16309	3.1
207.06665	1.0
207.08492	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82668	1.0
54.91280	1.0
55.01886	2.1
57.03454	1.9
59.01387	100.0
60.01708	1.2
61.98829	6.5
67.69985	1.0
70.05762	1.1
71.01395	11.0
73.02938	1.3
75.00870	9.8
83.01418	1.4
83.21950	1.3
85.02962	6.5
89.02437	6.3
97.02943	1.5
99.00888	2.4
99.01501	1.1
101.02443	2.6
103.49403	1.1
129.01900	16.5
131.03510	1.7
147.03018	16.6
147.94698	2.4
161.04562	8.3
163.07668	1.4
165.95743	2.5
177.70824	1.1
207.06708	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	207.0663
Annotation	Ethyl caffeate
Peak:m/z	Relative Intensity
52.52330	0.7
55.01869	1.3
59.01385	44.0
59.07051	0.8
62.39197	0.8
64.34359	0.8
65.68540	0.7
66.34879	0.7
71.01363	3.3
74.99087	1.2
75.00847	3.4
77.69659	0.8
81.89925	0.8
83.01352	0.9
85.02940	2.0
89.02410	0.8
99.00844	1.8
99.25079	0.8
101.02444	1.0
121.02942	1.7
129.01965	7.7
133.02953	21.2
134.03741	13.2
135.04514	63.1
136.04874	1.1
137.02448	10.3
139.04002	1.8
147.03000	5.9
147.04471	4.0
161.02441	29.5
161.04504	1.8
165.05562	1.5
177.02048	1.0
178.02702	1.6
179.03506	30.6
207.06633	100.0
208.06972	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	207.0663
Annotation	3,4-Dimethoxy-trans-cinnamic acid
Peak:m/z	Relative Intensity
55.01886	4.0
57.03456	2.0
57.21083	1.8
57.74262	1.7
59.01386	100.0
68.80801	2.2
70.77798	2.1
71.01402	3.9
73.31959	1.6
75.00861	10.1
79.03153	2.2
83.51990	2.0
85.02932	3.6
86.87576	1.8
89.02424	2.6
90.60477	1.9
119.05016	20.0
121.02986	4.6
124.34560	2.4
129.01935	19.1
131.05019	2.3
133.06570	12.4
147.02980	22.3
147.04553	3.5
161.04617	4.4
163.07666	7.7
177.05579	12.9
207.02971	2.2
207.06686	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.3
56.11677	0.7
57.03460	0.6
58.73307	0.5
59.01386	31.5
71.01373	2.9
73.26917	0.5
75.00863	3.1
79.95820	0.5
83.01414	0.6
85.02931	1.1
89.02428	1.3
93.03438	3.9
95.05026	4.2
99.00883	1.3
105.03437	0.8
119.05041	7.2
121.02952	7.0
123.04527	6.9
129.01909	5.8
147.02985	5.9
149.02451	23.9
150.02890	0.6
161.04570	1.4
163.03996	1.1
177.01929	100.0
178.02272	4.5
191.03497	2.5
192.04286	76.9
193.04639	2.1
207.03130	0.9
207.06641	22.4
207.08588	0.8
208.06833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0669
Annotation	D-Mannoheptulose
Peak:m/z	Relative Intensity
54.21568	1.1
55.01870	6.1
57.03456	35.5
59.01388	37.7
60.84434	1.4
68.99824	1.6
71.01381	21.3
72.76254	1.2
72.99300	2.3
73.02925	2.4
76.09270	1.3
78.05701	1.3
83.01375	7.9
84.02161	6.6
85.02947	91.9
87.00354	1.8
87.00875	43.0
89.02451	9.9
99.00874	5.7
101.02437	1.8
111.00872	7.8
115.00384	2.2
115.03975	2.3
125.99293	1.7
129.01932	44.9
131.08261	14.0
133.01418	5.6
138.99472	1.5
141.01889	1.7
159.02968	12.0
173.10457	8.5
186.40839	1.3
191.01921	3.1
191.05617	2.1
209.06679	100.0
210.06989	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0667
Annotation	D-Mannoheptulose
Peak:m/z	Relative Intensity
53.21717	0.6
55.01872	4.4
57.03455	32.4
57.03738	1.2
58.00601	1.0
59.01385	41.4
60.01717	0.6
68.99818	1.2
71.01380	33.5
72.99299	7.7
73.02929	3.1
75.00878	6.5
77.41949	0.7
83.01380	7.6
84.02161	5.3
85.02947	100.0
86.03271	3.3
87.00875	29.3
87.04516	1.0
89.02442	19.9
92.11736	2.1
96.44950	0.8
97.02905	1.2
99.00851	5.2
100.87202	0.7
101.02405	3.6
111.00884	7.1
113.71185	0.8
115.00333	3.4
115.04005	1.1
121.02960	0.8
129.01933	28.3
131.03473	1.5
133.01414	6.4
137.10443	0.7
141.01932	1.6
147.02994	3.3
150.42920	0.7
159.02985	4.8
172.49048	0.7
173.00932	1.1
191.01978	15.4
209.03122	15.7
209.06673	54.7
210.07086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
56.33545	1.4
57.03451	3.0
58.48456	1.3
59.01384	100.0
71.01343	2.3
72.72617	1.3
81.03418	1.7
82.26955	1.5
89.02444	6.3
92.26089	1.4
94.02975	6.7
97.06568	2.0
109.06560	3.3
109.09309	1.8
120.27242	1.4
121.02949	31.3
124.04043	11.1
165.12825	2.5
209.04550	8.3
209.11807	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	209.1184
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
54.52403	0.7
58.64550	0.8
59.01105	1.0
59.01383	20.0
61.98819	3.9
71.01369	6.1
75.00855	1.2
85.02950	1.6
89.02433	7.7
91.01879	0.9
94.02960	7.3
96.95985	2.1
97.77200	0.9
106.94606	0.9
120.02174	3.9
121.02945	100.0
122.03272	4.0
122.06112	0.9
123.13161	1.0
124.04030	17.5
124.32203	0.9
128.03545	1.4
134.89433	1.3
136.01625	1.3
148.04395	1.1
165.05528	1.0
166.94353	1.9
208.82571	4.3
209.04590	14.0
209.11836	48.5
210.04961	1.2
210.07681	1.1
210.12074	3.5
223.08040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0977
Annotation	Striatisporolide A
Peak:m/z	Relative Intensity
50.14192	0.6
59.01385	100.0
59.75529	0.6
63.63585	0.7
63.93048	0.6
65.85029	0.6
69.56031	0.6
71.01355	1.1
73.60746	0.6
89.97811	0.7
92.11738	2.0
95.01389	1.4
108.02164	1.6
123.04563	0.8
126.20391	0.8
134.07359	3.0
136.05252	5.3
139.04018	0.8
149.09721	32.2
151.06146	4.9
151.07625	5.0
152.01149	3.8
152.08420	14.1
153.08656	0.8
166.02690	0.8
167.10776	34.3
168.11136	1.5
175.57834	0.7
211.02490	1.4
211.09770	40.5
212.10245	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1341
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
51.44464	0.5
57.03466	0.5
59.01389	6.7
60.99318	0.8
61.26786	0.5
63.96775	0.5
71.01395	1.0
81.03461	0.7
83.05025	0.7
89.02392	0.9
89.18446	0.6
91.10877	0.6
92.11806	0.8
97.06582	5.5
109.02852	0.6
109.06557	0.8
109.21361	0.6
125.02436	0.6
135.08174	0.6
137.09705	0.5
142.57462	0.5
144.57492	0.5
149.13364	3.3
151.06105	1.3
154.15910	0.6
165.12852	2.6
167.10806	0.8
167.14371	5.4
185.34830	0.6
193.12413	6.9
209.11874	1.0
211.13409	100.0
212.13744	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	212.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58427	2.7
57.33195	2.6
59.01390	22.9
61.35087	3.1
61.98830	5.9
66.03475	3.7
67.01884	3.0
68.99816	6.6
71.01360	4.4
71.78953	2.6
72.04516	3.2
75.13669	3.0
78.25392	3.1
78.95887	3.8
82.02980	5.6
85.02949	3.6
87.00881	3.4
93.03435	4.1
94.02994	5.4
95.01386	18.9
96.96028	2.9
96.96896	5.2
108.04579	6.4
117.59322	3.5
122.06117	19.5
130.08734	4.2
131.07181	4.3
136.04037	30.6
137.02460	100.0
153.01530	3.0
161.10585	3.2
169.05070	50.7
194.99394	5.2
212.05647	16.2
222.32901	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	213.1133
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
58.38540	0.6
62.19778	0.6
64.15015	0.7
74.60236	0.7
77.60049	0.6
82.97194	0.8
83.76872	0.6
97.06548	0.7
133.01381	0.7
133.45837	0.9
151.11296	10.9
164.72714	0.7
168.91122	0.9
169.12331	100.0
170.12740	1.1
213.11340	16.9
218.42017	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1134
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
50.46093	0.8
54.82757	0.9
65.12211	0.7
65.46671	0.9
68.44716	0.7
69.03458	0.9
77.29217	0.8
85.37315	1.1
92.44517	0.9
104.61311	0.9
129.20586	0.8
130.62724	0.8
138.42822	0.8
151.11284	11.2
151.90666	0.9
169.12343	100.0
170.12567	2.1
177.17867	0.9
213.07858	1.1
213.11324	18.7
213.14915	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
50.49469	0.3
55.01903	0.5
61.95112	0.4
69.64666	0.3
74.38445	0.4
76.53163	0.4
77.03756	0.4
83.05013	4.1
92.12350	0.8
95.05000	1.5
96.05231	0.3
96.96000	2.9
97.06589	3.3
98.03713	1.9
107.05024	0.8
111.08153	0.5
118.58902	0.4
119.51835	0.4
119.78967	0.5
123.08134	0.5
129.47650	0.4
130.08659	0.4
133.04984	0.5
139.11299	8.2
145.44522	0.5
151.11287	100.0
152.11592	3.0
165.09256	0.6
167.10840	0.4
169.12338	2.4
180.85176	0.4
183.10262	2.3
195.10291	1.8
213.11307	2.1
218.23360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1086
Annotation	(-)-Monascumic acid
Peak:m/z	Relative Intensity
52.99044	0.4
54.63409	0.4
54.82609	0.5
55.01883	1.7
57.03447	3.2
59.01382	3.3
59.31181	0.4
61.98824	1.7
71.01372	2.5
72.04548	21.4
72.04958	0.8
73.04871	0.4
74.26287	0.4
82.02956	0.4
82.06591	0.9
83.01384	2.0
85.02933	0.8
89.02434	1.8
89.77591	0.4
101.02449	1.8
102.05605	7.4
107.05041	0.8
107.97730	0.4
109.01708	0.5
113.02403	0.4
125.09647	0.6
135.04504	6.7
140.10847	7.2
142.12375	100.0
143.12758	5.0
168.10300	37.6
169.10661	1.6
170.11867	36.4
171.12238	1.0
186.11371	0.5
194.99159	0.4
214.10876	41.9
215.00270	1.9
215.09207	1.0
215.11119	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	215.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88305	0.5
55.15719	0.5
57.36406	0.5
59.01373	0.7
59.39451	0.5
63.18597	0.6
69.57469	0.5
70.59076	0.6
76.56970	0.5
79.39369	0.6
79.95729	5.1
80.96503	6.4
82.99597	0.7
104.59503	0.6
106.04215	4.0
107.05022	19.7
111.04565	0.6
116.10993	0.6
123.04519	1.4
126.95313	0.8
134.03770	0.9
135.04515	100.0
136.04846	1.4
152.11647	0.6
168.66092	0.7
171.44231	0.6
196.95850	0.9
214.97018	1.2
215.00208	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	10.2
56.05532	1.5
56.41855	1.7
58.57455	1.7
59.01387	19.8
69.03458	3.0
71.01372	8.3
72.00904	4.5
73.02940	2.7
75.24226	1.8
78.95856	1.9
80.02667	4.3
80.96492	2.4
81.03431	8.7
83.01362	2.1
83.05024	4.2
85.02934	3.9
88.04031	4.5
89.02390	3.4
91.37306	1.9
93.03477	4.6
95.05009	9.9
96.96964	4.5
97.06578	100.0
98.02448	3.6
99.00813	2.1
99.92563	8.5
107.05030	19.6
108.02161	2.6
109.06581	31.2
115.03979	10.3
115.92067	11.7
116.92868	13.6
123.04501	40.8
125.06068	36.4
127.07603	3.7
133.01431	3.5
135.04518	36.1
141.05574	18.9
143.07089	3.1
144.03050	14.7
151.04060	2.7
153.05550	8.6
169.05046	22.0
179.03435	2.5
187.06096	15.5
197.04607	18.6
215.05569	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	215.0563
Annotation	cis-(Homo)3-aconitate
Peak:m/z	Relative Intensity
52.28881	1.6
52.65976	1.6
55.01880	11.8
59.01385	23.2
66.03393	1.5
69.03457	4.2
71.01379	7.3
72.00906	7.3
72.99306	2.0
73.02948	1.6
79.87534	1.3
80.02658	3.1
80.96507	1.7
81.03461	8.6
82.42636	1.5
85.02959	8.3
88.04045	4.0
89.02444	7.3
93.03439	1.9
95.01382	2.2
95.05036	9.8
97.06576	100.0
99.00854	3.2
99.92570	7.9
101.02436	4.0
107.05024	23.3
108.02150	2.8
109.02941	1.9
109.06577	45.5
110.06908	1.7
111.00864	2.1
115.04044	12.7
115.92060	10.9
116.92818	13.1
123.04510	54.2
125.02448	3.9
125.06075	47.8
127.07629	4.1
135.04509	46.2
136.04813	2.1
141.05585	20.1
143.07121	7.1
144.03027	10.4
151.03987	7.2
152.25148	1.7
153.05594	12.0
169.05077	23.3
171.10683	2.1
187.06149	13.1
195.46202	1.8
197.04521	18.9
215.03371	2.8
215.05615	9.2
215.13109	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	217.1082
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
52.76780	0.4
55.39621	0.4
57.03461	0.6
59.01387	100.0
60.01715	0.7
71.01358	0.8
71.71938	0.5
73.02939	0.6
81.43613	0.5
81.80663	0.5
85.02943	0.7
93.03471	0.6
99.04514	0.5
104.06792	0.5
111.08128	0.8
116.92852	6.8
124.06758	0.5
127.03986	1.0
127.11243	0.9
132.98219	3.7
137.02477	0.8
137.09735	1.1
152.54588	0.5
155.10786	14.3
165.19022	0.5
171.10269	23.6
172.10634	0.8
174.99249	28.1
199.09717	2.1
199.85121	6.1
200.85170	0.9
216.85335	3.0
217.00330	22.8
217.10822	39.4
217.14204	1.1
218.11162	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	218.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43403	0.5
59.01387	5.6
62.02978	0.6
71.01385	12.9
71.05026	27.9
82.16807	0.8
88.04043	100.0
89.04401	0.6
99.04509	8.3
116.07176	3.1
119.31500	0.8
128.28380	0.8
136.16579	0.7
146.08241	64.4
147.08488	1.1
159.92123	0.8
162.75592	0.8
190.68820	0.7
218.08244	1.1
218.10361	32.1
219.10753	1.4
222.38316	0.9
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	Unknow
Peak:m/z	Relative Intensity
59.01376	3.3
60.02716	0.6
67.50791	0.6
71.01381	12.3
71.04620	1.2
71.05017	33.9
88.04034	100.0
89.04362	1.0
99.04505	9.6
115.19850	0.8
116.07156	3.3
118.79293	0.7
129.05547	0.9
142.39705	0.7
146.08232	61.4
147.08569	0.9
218.10359	33.2
219.10789	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0775
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
53.73015	0.9
59.01400	6.8
62.57175	0.8
64.34188	0.9
72.00909	10.5
72.44570	0.9
74.02466	39.3
86.02476	1.4
107.22529	0.9
107.76962	0.9
118.06623	5.3
130.06616	2.2
131.01717	4.1
132.04546	100.0
133.04919	1.6
144.04547	84.8
145.04832	1.5
157.07709	39.7
158.06052	7.4
175.08751	15.4
201.06757	5.4
219.07777	73.3
219.12381	4.1
219.17545	1.8
220.08006	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	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25722	1.2
55.01890	10.1
57.03453	24.2
57.03712	2.0
59.01393	14.1
71.01387	14.1
72.99313	32.9
73.02944	5.2
75.00876	10.4
81.03455	11.7
83.01403	10.8
84.02145	3.0
85.02949	100.0
87.00862	5.7
92.65919	1.5
99.00877	13.9
101.02449	10.2
103.00378	1.6
111.00890	32.8
111.99392	1.3
113.02409	2.2
125.02436	39.2
128.76138	1.3
129.01935	70.6
143.03477	3.0
147.02982	25.2
161.04610	2.4
179.90981	1.5
187.02542	2.1
205.01723	2.8
205.03546	50.8
223.04605	94.1
224.05057	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	224.02
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	29.9
60.01715	4.0
60.64955	1.4
61.01826	2.1
61.98837	48.7
65.03963	2.9
69.53783	1.6
71.01375	2.5
71.04995	1.7
82.64946	1.5
85.02934	2.0
87.76324	1.5
88.82565	1.9
89.02448	4.3
92.05051	81.8
92.11787	2.3
93.03416	1.8
94.02979	2.5
99.37682	1.7
113.89713	1.7
121.90871	1.6
131.60583	2.0
136.04036	100.0
164.83545	1.9
174.43652	2.0
180.03015	43.4
180.06400	2.1
198.07637	1.9
224.01991	8.1
224.05373	2.4
244.75716	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	225.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83623	0.3
52.89151	0.4
57.03440	0.5
59.01389	3.0
66.67793	0.4
67.01884	0.8
71.01380	1.9
84.47983	0.4
89.02438	0.9
93.03442	1.8
97.24342	0.4
101.02399	0.5
109.02951	3.1
123.00856	0.4
137.02444	26.1
138.03160	1.9
151.04008	0.7
164.78831	0.4
165.01923	100.0
166.02344	2.2
179.03503	1.6
180.04282	83.5
181.04712	1.8
183.92381	0.5
195.02995	34.1
195.06630	57.5
196.06985	0.9
210.05353	37.6
211.05696	0.6
225.04308	0.8
225.07704	29.8
225.11281	0.9
226.08006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1133
Annotation	1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
54.09358	0.5
57.03192	0.8
57.03454	17.3
57.03737	1.0
59.01386	100.0
60.01715	0.7
64.91123	0.4
68.82398	0.4
71.01372	3.4
76.38901	0.4
81.03444	0.9
83.05022	5.3
89.02424	4.0
93.03448	0.9
95.01321	0.8
95.04948	0.6
96.95964	0.7
97.02856	0.6
100.58465	0.5
101.02501	0.6
107.05008	0.6
108.04548	0.6
113.02497	0.7
121.92301	0.5
123.00866	4.3
123.08134	2.8
137.02426	1.0
137.09706	0.9
144.76004	0.5
145.10162	0.7
147.08165	3.5
149.02396	0.6
151.00394	1.0
163.11249	2.4
165.01854	0.9
165.09219	4.5
166.76187	0.5
180.04308	0.6
181.07034	1.0
181.12354	0.8
195.02979	11.4
195.06601	0.8
210.05319	10.0
225.07870	7.3
225.11320	27.9
226.11714	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
57.74648	0.8
59.01385	100.0
59.36367	0.8
61.96869	0.7
61.98832	1.1
63.23827	0.8
69.03442	1.9
71.01369	6.1
75.00822	1.0
85.02955	1.1
89.02411	4.9
93.03443	2.1
95.05008	1.4
97.02934	1.1
101.02426	1.2
109.06568	1.8
137.02354	1.1
151.03975	1.4
165.07800	1.3
165.09140	1.5
181.12357	1.2
207.10274	1.1
225.09148	1.2
225.11322	22.0
226.11520	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	225.1609
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
59.01390	11.7
61.40546	0.8
61.98817	1.4
71.01373	7.1
73.30310	0.7
73.55639	0.8
80.83752	0.9
81.03448	18.7
83.05022	97.2
83.67937	0.7
84.05350	1.7
89.02446	6.9
92.12396	1.0
93.03444	1.1
94.02978	1.1
96.95974	1.4
101.02413	0.9
108.04533	3.5
113.02435	1.4
121.02956	1.4
121.92255	6.6
123.04507	0.9
125.07199	4.3
137.02388	0.9
143.08240	3.9
151.04015	0.9
165.07690	1.6
166.02675	1.7
170.12209	0.8
181.05156	1.0
181.08757	1.0
183.92316	3.6
207.15039	13.9
225.04143	3.7
225.16100	100.0
226.16406	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	225.186
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
54.52859	1.4
56.52111	1.7
59.01384	26.5
61.01807	1.6
61.98811	12.0
61.99094	1.7
71.01373	10.9
89.02422	9.0
92.11672	2.1
93.03439	3.3
172.49625	2.1
225.18590	100.0
225.20833	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	225.1861
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
50.15607	0.7
52.82853	0.7
59.01386	16.4
61.98598	0.7
61.98841	10.7
71.01379	5.5
80.53939	0.8
81.20699	0.8
86.40614	0.8
89.02419	4.4
93.03457	2.0
100.66814	1.0
225.18605	100.0
226.18982	2.1
247.70703	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0675
Annotation	Deoxyuridine
Peak:m/z	Relative Intensity
57.29609	2.5
59.01359	13.2
59.81399	2.7
60.05686	2.2
66.03468	13.0
76.27020	2.7
78.95896	59.2
84.04659	2.9
94.02978	63.8
96.96957	85.3
101.02400	3.3
108.04575	3.8
111.01993	100.0
112.04038	4.9
120.90892	3.0
122.06095	2.8
126.77654	3.3
130.08704	13.4
131.09032	4.1
136.04008	16.1
151.04048	6.4
156.50938	2.8
167.69727	3.4
184.06151	66.4
213.04590	2.9
216.11020	3.0
227.06956	23.5
227.20209	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	227.0675
Annotation	Deoxyuridine
Peak:m/z	Relative Intensity
53.10412	1.7
56.64895	1.6
58.56712	1.9
59.01379	10.0
66.03487	20.3
71.01386	2.5
73.13257	1.9
75.00870	3.0
78.95907	54.1
93.03478	2.9
94.02971	54.8
96.96954	90.7
99.81764	2.3
107.04995	2.4
108.04550	3.5
110.98542	2.6
111.02000	100.0
112.04031	4.3
128.85733	2.6
130.08731	12.5
131.09036	2.9
135.04550	2.8
136.01665	2.3
136.04047	11.7
144.68913	2.1
184.06149	56.5
189.10466	2.5
227.06924	25.0
227.20146	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	227.0927
Annotation	(+)-cyclopentanecarboxylic acid
Peak:m/z	Relative Intensity
50.84359	1.2
50.86794	1.3
55.01887	1.5
56.46917	1.3
57.03456	1.3
58.81081	1.2
59.01386	20.1
59.49240	1.4
61.98843	1.6
64.13293	1.4
69.03394	1.5
69.37914	1.3
71.05004	7.5
81.03453	10.7
83.05026	78.1
85.02910	1.6
85.06567	5.8
97.06564	5.7
99.04485	2.0
107.01434	1.6
111.08141	1.7
121.02956	1.9
121.10252	3.0
123.04490	3.2
125.02364	1.7
127.04038	3.1
136.05312	1.7
137.06029	1.7
137.09631	1.9
139.11270	31.1
147.08145	20.3
162.10278	1.7
165.09206	48.2
168.04144	2.5
183.10258	100.0
188.78630	1.5
191.07118	3.4
208.93417	5.9
209.08214	44.9
227.09247	28.0
227.12895	9.8
227.20166	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	227.0927
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
50.57504	1.1
52.90177	1.1
53.97954	1.0
56.27368	1.0
56.98026	1.7
57.97559	4.8
59.01376	6.6
61.98806	1.3
71.01363	1.9
72.99306	100.0
75.00867	3.0
85.02921	1.2
94.27607	1.4
102.00166	1.5
104.13235	1.2
113.06203	1.3
123.04530	1.2
123.08173	1.5
123.91938	2.0
126.00197	12.7
133.36534	1.2
138.06924	1.6
139.07619	2.5
151.07629	2.6
152.08472	6.5
158.39326	1.4
165.09207	6.2
167.03575	1.4
208.93440	2.8
209.08275	1.4
227.09279	43.8
227.20210	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	227.129
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
54.29640	0.4
61.06903	0.5
61.31385	0.5
72.71140	0.5
78.86940	0.6
106.05476	0.5
107.72539	0.5
111.08226	1.0
130.70631	0.5
137.02484	0.5
156.13925	0.6
165.12830	18.0
183.13899	100.0
184.14246	3.0
209.11769	2.1
227.12918	20.8
228.13190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.05537	0.5
66.19602	0.5
66.42599	0.5
69.49101	0.5
71.05028	0.9
78.60203	0.6
83.05006	1.5
92.11799	0.9
97.06557	2.7
99.92537	0.6
101.02434	1.0
107.01380	0.8
109.01673	1.4
109.06588	0.8
111.04484	0.9
116.07164	3.0
123.08127	3.8
125.06082	0.7
137.09674	0.6
140.10811	2.8
147.08049	0.7
165.09157	0.7
167.10744	3.5
183.10210	0.7
184.09692	1.0
208.93442	0.9
210.07516	0.6
218.45361	0.7
227.09247	3.0
227.12878	44.6
227.20085	1.4
228.13069	3.9
246.00900	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
51.74086	0.6
57.03442	3.6
59.01385	8.9
60.99286	1.0
69.03445	3.3
70.70914	0.7
71.05002	0.8
80.78075	0.6
81.03457	1.6
83.05013	3.1
85.73430	0.7
87.00851	0.7
95.05017	2.7
97.06590	1.0
99.92593	0.7
100.04048	0.8
101.02423	0.7
109.06574	1.7
111.08131	4.1
121.10217	1.4
123.08146	0.8
135.08180	6.1
137.09668	1.3
139.07654	1.2
139.11299	3.7
147.11836	1.4
163.11301	1.7
165.09206	4.6
165.12862	6.9
183.10236	13.2
191.10793	4.4
208.93434	0.9
209.11850	13.2
227.09241	3.8
227.12894	100.0
227.20213	3.8
228.07753	1.3
228.13214	4.8
249.65634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	16.7
59.01369	4.4
63.24702	0.7
69.03436	1.1
69.49920	0.8
76.29927	0.9
77.93523	1.0
83.05024	3.7
88.04003	1.2
95.05035	10.8
97.06562	13.5
106.04238	1.1
111.08140	1.3
113.06154	1.2
113.65639	0.7
121.06580	8.9
123.08156	100.0
155.10782	0.9
167.10719	3.6
181.07770	1.3
211.09717	1.9
220.18005	0.8
229.10719	11.3
230.10881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86715	0.5
59.01374	3.3
65.12460	0.5
69.56160	0.5
72.04542	3.4
80.35680	0.5
82.02975	6.9
92.67208	0.7
93.76677	0.6
98.02472	14.0
99.00874	3.2
103.43612	0.6
111.03224	2.5
112.07684	2.5
120.98957	0.6
125.09708	2.5
129.33159	0.6
130.08727	100.0
131.09090	2.6
140.07175	8.5
140.10858	4.8
142.12358	4.1
167.92567	0.6
168.10275	17.0
173.08072	0.8
175.97490	0.6
212.09303	24.8
213.09587	0.7
230.10388	0.7
231.08746	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	230.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64521	0.6
54.15287	0.6
55.01863	0.6
56.41482	0.5
59.01390	5.6
62.21867	0.6
68.32465	0.6
72.04520	2.9
72.82682	0.5
82.03001	6.5
98.02473	9.5
99.00858	2.6
111.03268	7.8
130.08720	100.0
131.09032	2.6
140.07159	3.9
140.10774	3.6
142.12398	7.7
154.93764	0.6
168.10301	14.5
194.76752	0.6
198.43181	0.6
212.09297	16.3
213.09671	0.8
230.10335	1.3
231.12326	0.8
244.67200	0.7
247.03311	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89005	0.2
59.01398	0.4
63.69710	0.2
68.19101	0.3
71.01380	26.1
72.01736	0.3
72.99311	5.3
78.95887	1.1
84.96117	0.3
87.00871	1.1
87.92550	0.3
89.02433	3.6
92.12271	0.4
92.65660	0.3
92.91144	0.2
96.96004	12.3
96.96967	1.2
97.93135	0.4
107.80756	0.3
113.92627	2.1
114.93472	0.5
115.00365	64.4
116.00711	0.6
133.01424	100.0
134.01741	1.2
162.63603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1238
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
56.62247	0.5
59.01394	45.6
72.99299	0.9
75.00854	2.8
75.51774	0.4
87.00851	0.6
87.92522	1.3
97.06532	0.6
103.92000	0.8
115.07655	0.7
123.94609	3.5
127.11282	2.2
127.12794	0.5
151.03975	1.2
151.11276	2.9
162.41634	0.7
169.12337	30.6
170.12547	0.8
171.10268	100.0
172.10629	3.1
195.85184	0.6
213.11328	7.1
231.12373	55.5
231.15822	7.1
232.12775	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40150	1.0
59.01108	2.7
59.01387	66.0
71.01375	9.1
72.99321	1.5
75.00507	1.2
75.00850	12.4
85.06582	34.5
88.04035	100.0
110.69707	1.2
113.06107	7.3
116.03513	1.3
116.07182	1.8
123.64615	1.5
135.04509	2.8
148.97781	2.4
160.09802	23.3
160.97684	2.2
173.08195	1.9
174.64833	1.4
176.06857	1.8
190.98711	9.4
215.09129	1.8
232.06305	1.9
232.11862	21.2
233.10242	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	233.103
Annotation	ascr#11
Peak:m/z	Relative Intensity
54.82267	1.5
55.31012	1.7
59.01390	100.0
59.45064	1.7
60.04065	1.9
66.33422	1.6
69.03472	2.3
71.01391	3.5
71.05016	12.3
72.99295	3.0
75.00872	18.0
78.95942	2.4
83.05047	2.4
85.02959	2.1
87.04527	3.7
93.03405	2.0
99.04511	3.1
101.06062	3.4
113.02407	2.9
115.04008	2.2
115.92049	2.4
116.92815	2.3
117.07478	3.1
130.96567	1.9
137.00117	2.0
143.07101	2.9
143.10828	2.9
144.04605	2.9
145.00908	2.9
147.03270	7.6
153.09206	16.8
155.07141	2.2
160.03897	2.1
171.10277	13.0
172.97774	2.7
173.08183	4.5
188.98427	2.8
189.06657	3.4
190.98734	16.8
193.68661	2.2
197.08286	3.2
215.09276	13.1
230.53519	2.0
232.99509	2.2
233.08105	2.5
233.10301	59.0
233.15517	10.3
238.83191	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	233.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66511	1.4
59.01109	2.1
59.01389	45.9
60.01719	1.9
74.99055	6.0
75.00867	21.7
93.00104	6.6
129.09610	1.5
134.99393	7.2
136.55191	1.5
136.97380	2.2
148.97678	7.1
149.00963	75.3
159.08490	2.0
161.06415	3.0
190.97284	1.5
190.98714	13.5
196.91353	1.5
217.07230	100.0
218.07445	7.8
233.04521	2.7
233.10364	78.4
233.15366	12.9
234.10593	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	234.1499
Annotation	Metolachlor morpholinone
Peak:m/z	Relative Intensity
54.82919	0.3
59.01386	32.6
61.98836	0.4
101.41734	0.3
111.91869	0.3
120.87901	0.3
148.93898	1.9
179.07181	1.4
190.98622	0.4
207.95226	1.5
218.11877	2.9
234.14998	100.0
234.97580	0.6
235.15297	3.7
251.11710	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	235.0723
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
55.01876	2.3
58.78825	2.1
59.01389	20.5
60.83166	1.9
61.98807	2.2
71.05070	1.9
72.00903	28.5
72.99297	3.3
73.02927	2.9
83.05027	8.4
86.02452	3.2
92.05051	21.3
104.69351	2.1
116.05054	14.3
118.02997	4.5
118.06600	10.5
120.04517	4.0
127.04002	9.2
128.05046	10.1
129.05820	3.7
130.06606	100.0
131.03757	57.3
131.04846	3.1
132.04614	3.1
134.06104	2.4
136.14754	2.0
141.07570	2.1
144.04559	71.3
146.02478	3.3
146.06123	34.6
147.58743	2.4
148.04062	55.9
154.05348	14.2
155.06145	21.3
157.07681	14.4
160.04015	20.2
161.04761	2.5
172.95331	2.3
173.07158	13.5
174.05606	75.7
175.05948	3.6
183.02852	2.5
187.73572	2.1
190.05099	44.9
191.08229	9.4
191.97983	2.0
218.04678	2.7
235.07343	27.1
235.10782	4.7
258.17212	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	235.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37778	1.7
57.67266	1.6
59.01385	24.5
65.95197	1.9
66.03475	2.7
72.00904	21.1
73.02949	3.2
75.05817	1.9
76.57949	2.1
80.50584	2.0
80.83619	2.5
83.05028	4.6
85.02973	2.4
86.02474	3.7
92.05053	13.9
106.51511	1.9
111.04491	3.2
115.04031	3.0
116.05062	12.8
118.02996	4.0
118.06630	13.3
120.04539	8.7
127.03989	4.0
128.05067	12.5
129.05803	4.1
130.06609	100.0
131.03778	44.6
132.04565	2.0
134.06139	4.2
144.04543	61.7
145.05275	2.9
146.02441	3.4
146.06108	41.8
147.03224	4.0
148.04039	46.3
154.05371	11.2
155.06140	19.5
157.07684	11.4
159.03171	2.2
160.04039	20.7
161.04784	2.3
172.03986	8.4
173.07182	14.7
174.05589	78.3
188.80342	1.9
190.05096	48.0
191.08292	9.7
199.02573	3.6
218.04521	2.3
218.23239	2.3
235.07315	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77658	0.2
53.84961	0.2
55.75170	0.2
57.03435	0.3
59.01379	2.7
59.17480	0.2
61.98827	0.3
67.05515	0.4
71.18825	0.2
75.00865	2.8
75.78793	0.2
81.03432	0.5
83.05009	1.4
83.65604	0.2
85.02929	0.3
93.03413	0.9
106.00647	0.3
107.05033	0.3
107.08646	0.6
108.10939	0.2
117.03456	0.3
119.05012	6.3
121.02934	0.3
121.06564	0.5
123.08141	1.1
130.08804	0.3
131.08640	1.4
133.06589	5.4
135.04533	0.3
136.97687	0.2
137.06087	0.6
147.08157	0.3
149.09712	100.0
150.10060	1.3
161.39532	0.2
163.03964	0.4
174.49335	0.2
175.07616	0.3
175.11205	0.3
178.06329	0.5
193.08713	1.8
194.08025	0.3
194.98183	0.4
202.41370	0.3
212.45367	0.2
219.10228	0.3
237.07616	1.3
237.11336	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	237.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82550	0.2
55.23571	0.2
57.03462	0.3
64.34547	0.3
67.05532	0.4
81.03448	0.3
81.37390	0.2
83.05015	0.9
91.12044	0.2
93.03444	0.5
107.05022	0.9
107.08669	1.1
117.40261	0.3
121.02933	1.1
121.06593	1.1
123.08140	6.2
131.08658	1.2
133.06570	6.7
137.09712	3.6
147.08144	0.3
149.09712	100.0
150.10091	1.0
154.82521	0.3
161.02475	0.6
167.84306	0.2
168.32668	0.2
175.07610	0.3
175.11266	1.1
177.74832	0.2
193.08644	0.6
216.53177	0.3
223.10132	0.3
237.07701	0.9
237.11362	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	237.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82666	0.2
57.03444	0.5
59.01372	0.4
59.16372	0.2
62.34143	0.2
64.34412	0.2
64.41576	0.2
67.05519	0.5
71.01366	0.9
75.00848	1.2
81.03428	0.4
83.05008	1.3
93.03457	0.5
96.00163	0.2
96.95983	0.9
107.05003	0.5
107.08650	1.0
108.02133	0.3
116.83710	0.2
121.02934	4.3
121.06596	1.1
123.08143	3.3
127.51401	0.2
129.01926	0.2
131.08650	0.5
133.06580	6.9
149.09708	100.0
150.10017	1.6
154.31467	0.3
160.09106	0.2
175.07625	0.3
175.11270	1.5
193.08679	0.8
193.12311	1.9
220.76346	0.2
232.64816	0.2
237.07724	0.5
237.11386	3.5
244.94679	0.3
258.39700	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36906	0.7
54.93099	0.9
57.03193	1.0
57.03458	19.7
59.01103	1.4
59.01389	29.9
60.01720	0.8
61.98849	7.8
66.15418	0.8
71.01384	1.4
75.00868	14.9
78.99780	0.7
79.62943	0.8
80.96491	0.8
83.05026	4.1
85.02929	1.0
87.26473	0.8
88.29336	0.7
89.02440	1.5
90.06782	0.8
96.95998	1.5
113.02454	1.2
116.92844	7.0
126.38487	0.9
127.27341	1.0
129.01910	1.1
149.09689	1.0
167.10774	2.0
179.10721	1.8
193.16010	1.6
194.98201	9.3
195.13919	4.9
237.14958	100.0
237.87067	1.9
238.15300	1.5
259.63333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.9718
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99603	1.1
59.01384	2.3
71.01368	0.9
77.45022	0.2
78.95896	0.5
87.00848	0.2
89.02427	1.4
95.92426	0.2
96.95993	4.0
114.39321	0.2
114.87637	0.2
116.91323	0.2
119.93698	0.4
134.96080	6.1
136.93994	82.9
137.94055	2.6
147.01176	0.3
151.92700	6.8
154.95045	0.2
178.95050	100.0
179.05629	0.5
179.95116	4.7
196.96140	2.6
202.79259	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0561
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
56.83996	1.0
58.00573	1.4
59.01385	100.0
63.90216	1.2
71.01377	51.3
72.99300	1.8
85.02945	5.8
87.00874	14.8
89.02435	49.9
91.01894	1.1
92.11710	2.7
93.03474	1.8
95.01380	1.2
96.13005	1.2
99.00883	2.0
101.02404	8.5
106.04234	5.8
107.05016	26.4
108.02188	2.4
112.30028	1.3
113.02437	10.4
119.03477	5.5
121.02950	5.8
122.03752	2.8
123.04467	1.8
125.02430	1.7
133.06566	14.9
135.04526	7.0
149.06064	34.0
150.03229	47.6
161.04550	7.5
165.05513	8.7
177.05548	36.9
179.03496	53.9
179.05597	32.7
180.04192	5.0
194.02434	1.4
195.06656	8.6
209.04492	16.6
239.05615	92.1
240.05908	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	239.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33211	0.7
57.03456	91.1
59.01385	22.5
60.10024	0.8
67.25692	0.9
69.03435	5.6
71.01385	8.8
71.05013	3.6
77.67197	0.9
83.01413	0.8
85.02930	1.0
87.00865	1.1
89.02437	9.2
95.04991	1.3
97.06573	1.4
101.02470	2.2
107.05017	3.4
109.06594	19.3
120.05756	2.2
121.06626	1.1
123.08152	39.2
125.09762	6.7
125.69919	0.9
135.08147	8.9
145.76266	0.9
149.09689	1.6
151.10243	1.5
151.11292	22.7
160.11952	1.0
161.04500	1.3
170.96677	0.9
177.12874	2.1
179.05626	6.1
179.10767	5.8
195.13914	72.3
234.42163	1.0
239.12889	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	239.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14339	0.3
54.82350	0.2
57.03448	0.6
59.01386	6.6
71.01383	3.8
72.99310	0.7
84.25730	0.3
86.11201	0.3
87.00884	0.6
89.02435	3.7
95.08653	0.3
101.02460	0.4
101.83586	0.3
119.03574	0.4
121.06587	7.4
137.09712	100.0
138.10062	1.3
138.38541	0.3
139.58293	0.3
140.66545	0.3
149.09718	2.3
151.11273	1.2
160.68539	0.3
161.09567	0.3
167.14395	0.7
175.33961	0.3
179.05688	1.6
193.12335	0.6
198.61404	0.3
239.12906	78.1
240.13277	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	241.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.4
61.98835	8.8
65.00302	0.9
67.01881	0.8
71.01373	4.5
75.15742	0.8
75.67533	0.8
77.03958	5.9
85.02905	0.8
89.02434	1.6
92.65790	1.0
93.03454	6.6
95.01379	3.3
95.05000	4.4
97.02943	1.6
99.00858	1.5
101.02429	3.3
109.02963	1.3
111.00877	1.3
113.58633	0.8
121.02890	1.8
123.00863	12.5
123.04488	3.7
124.01591	1.6
125.02434	1.2
130.80672	0.8
135.00882	7.6
136.01645	0.9
137.02417	3.7
138.03233	6.5
139.00314	3.7
139.03987	5.3
143.73807	0.8
150.03207	4.6
151.00354	1.8
153.01926	37.2
153.05571	17.8
163.00362	90.5
165.01836	0.9
178.02704	100.0
179.03368	1.8
181.01414	51.0
181.07191	8.3
181.28363	0.8
183.06609	28.9
193.05046	51.8
195.02954	1.4
196.03786	11.1
211.02521	5.2
211.06131	77.3
214.69077	1.0
226.04817	14.9
241.07182	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.6
61.98535	0.9
61.98831	13.4
66.04730	0.8
67.01877	1.1
69.03455	0.8
71.01373	5.1
77.03958	7.3
83.01399	0.8
87.00932	0.9
88.77238	0.8
89.02433	4.7
93.03452	9.0
95.01388	1.0
95.05018	5.8
97.02922	1.7
99.00879	1.1
101.02435	1.9
108.02204	1.4
109.02927	0.9
109.06567	1.2
111.00874	1.7
114.87969	0.8
121.02940	3.8
123.00882	12.9
123.04503	3.3
124.01630	0.8
125.02438	2.8
135.00827	8.7
137.02454	5.9
138.03215	5.6
139.00409	2.0
139.03989	4.4
149.02461	1.4
150.03191	4.4
151.00381	2.0
153.01935	31.0
153.03108	1.6
153.04417	1.7
153.05571	25.9
153.06680	0.9
163.00369	95.0
164.00813	1.0
165.01903	1.3
178.02710	100.0
179.03400	3.0
181.01431	49.9
181.05997	0.8
181.07216	10.4
183.06619	27.0
193.05055	52.4
194.02139	0.8
194.05501	0.9
195.03082	1.3
196.03767	10.0
211.02597	3.7
211.06126	75.7
217.33821	0.7
226.04851	13.4
238.26955	0.9
241.07195	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.083
Annotation	Thymidine
Peak:m/z	Relative Intensity
51.53325	1.0
54.82931	1.2
55.32034	1.0
59.01378	5.7
60.49540	1.0
61.98802	1.4
71.01363	1.3
76.57343	1.1
77.03962	4.5
89.02399	1.7
93.03444	2.4
95.05012	1.9
101.02416	1.2
109.06589	1.4
123.04559	1.7
125.03551	100.0
137.02348	1.6
151.05144	2.4
153.05585	9.3
177.47157	1.3
181.07211	2.4
196.65176	1.4
241.08368	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	241.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74416	0.9
56.58398	0.8
58.02976	1.6
59.01152	0.7
59.01388	11.1
61.98539	1.0
61.98828	18.3
70.02970	6.6
71.01378	1.7
77.03951	4.1
82.02976	37.5
82.06622	1.8
83.40820	1.0
84.04531	4.3
85.65984	0.8
89.02427	4.0
93.03455	1.9
95.05007	1.3
101.02435	2.0
110.02495	1.2
112.04030	8.2
114.09248	1.9
126.09185	1.9
127.05051	6.1
130.08716	12.0
137.02406	1.4
141.09320	1.1
141.10333	21.7
153.00171	1.6
153.05562	13.4
154.12355	1.1
168.08995	2.0
168.96223	0.9
169.13475	3.7
181.07176	6.8
197.12955	86.2
198.13332	1.2
241.11961	100.0
242.12302	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	241.1811
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
50.31961	0.7
50.81124	0.7
56.15971	0.7
57.03449	3.4
59.01381	17.3
61.98832	100.0
64.05930	0.8
71.01379	6.5
73.02940	1.6
76.60727	0.8
79.24754	0.8
89.02432	6.0
92.12318	1.1
95.04999	3.9
97.06588	13.3
99.00848	0.8
101.02435	5.1
113.09718	6.1
141.12898	1.1
143.10785	0.9
166.67996	0.8
181.06059	0.8
181.07233	13.9
193.95485	0.9
197.19122	10.1
211.89806	0.9
223.17004	7.5
228.21872	1.0
235.41891	1.0
241.18097	85.3
241.79716	1.0
242.18544	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.062
Annotation	Uridine
Peak:m/z	Relative Intensity
66.03492	18.4
71.01391	2.7
76.84883	1.8
82.02982	32.6
91.33736	2.0
94.02971	2.8
96.04569	2.3
96.49686	2.0
108.04520	1.9
109.66104	2.1
110.02472	100.0
111.01995	31.5
112.08786	1.8
113.40302	2.3
114.05598	3.7
115.00344	6.1
122.02476	7.1
124.04022	3.0
127.05111	3.1
128.03539	22.2
140.03505	6.9
146.23000	1.9
152.03546	15.5
153.03110	15.5
153.04201	1.9
157.64696	1.8
200.05650	33.1
224.64532	1.7
243.06264	30.9
248.82758	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47509	0.5
52.70366	0.7
55.70349	0.7
56.21919	0.6
57.03424	0.6
58.21338	0.6
59.01373	4.0
61.98824	0.7
66.03503	0.5
71.01355	0.6
71.05013	3.6
83.05029	1.0
88.92630	0.6
97.02936	6.0
97.06564	1.0
99.00870	16.3
109.02914	0.9
109.06560	1.3
110.03699	0.8
119.04997	1.0
123.08098	1.0
125.09715	8.8
142.02727	1.6
155.14420	3.0
163.04106	0.6
163.11267	7.9
181.12321	19.0
199.13423	12.8
207.08240	1.0
207.10268	46.3
225.11339	71.6
226.11650	0.8
243.12375	100.0
244.12825	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46042	0.7
57.03447	1.3
59.01380	6.3
71.01376	0.9
71.05010	5.2
74.71944	0.6
83.05013	1.5
90.35622	0.7
92.64268	0.8
95.87201	0.8
97.02946	7.8
97.06577	2.0
99.00868	20.6
103.69208	0.7
109.06590	1.7
110.02494	1.3
110.03722	1.6
119.05052	3.1
125.09711	9.8
127.11248	1.9
135.08128	1.3
136.05289	1.0
142.02757	3.4
145.10236	0.9
153.12886	1.3
155.14395	1.8
163.03981	1.6
163.11281	14.6
164.07199	1.4
174.09146	0.8
174.80339	0.9
179.10747	1.2
181.12338	30.1
197.11871	1.5
199.13438	22.3
207.10274	63.5
208.10648	3.7
225.11351	83.7
226.11584	3.0
243.12384	100.0
243.16258	2.7
244.12663	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	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	4.2
58.86030	0.9
59.01385	88.1
62.61450	1.2
73.02934	6.8
89.97214	1.1
116.39159	1.1
139.11287	48.9
154.42529	1.1
163.11363	2.3
165.09195	2.4
181.12346	29.0
181.13942	1.4
182.12735	1.3
183.10257	66.0
183.11893	2.5
199.13435	20.5
201.11372	1.9
207.10216	5.4
225.11337	29.5
243.12379	100.0
244.12674	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	243.1963
Annotation	13-Hydroxymyristic acid
Peak:m/z	Relative Intensity
52.77117	0.5
53.25017	0.4
55.67038	0.5
59.01383	100.0
61.45884	0.5
67.02399	0.6
74.54213	0.5
86.68867	0.5
92.65587	0.8
104.64154	0.7
119.72656	0.5
120.58585	0.5
215.75594	0.7
243.19641	36.2
244.19896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1963
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
54.82620	0.5
59.01377	1.4
61.98834	9.8
65.50417	0.5
83.05009	2.6
85.06580	12.5
86.40282	0.6
99.08128	2.2
103.03625	0.5
110.21255	0.5
111.06476	0.6
113.80125	0.5
141.12843	12.0
197.19116	22.3
206.92931	0.7
207.17409	1.0
207.80727	0.6
210.46179	0.6
211.40193	0.6
215.68492	0.7
225.18539	1.2
241.18036	2.2
243.19637	100.0
244.20000	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	243.1966
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
51.85822	0.2
59.01379	2.3
61.98546	0.4
61.98835	8.1
69.46365	0.2
80.37515	0.3
80.61230	0.3
97.06557	0.7
99.08143	5.8
109.02921	0.4
113.09702	1.3
124.27892	0.3
125.09753	0.3
127.11274	6.6
130.84409	0.3
141.12869	0.7
169.35129	0.4
197.19110	8.5
203.40573	0.3
207.17537	0.4
217.51141	0.4
225.18617	1.2
241.18059	1.5
243.19655	100.0
244.20056	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	243.1965
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
57.03447	2.3
59.01382	4.1
60.25739	0.5
60.81831	0.5
61.98547	0.6
61.98836	13.1
71.05017	15.1
76.99976	0.5
85.06577	1.2
97.06553	0.6
99.92494	0.6
112.26781	0.6
116.92786	0.5
124.28292	0.5
153.12897	0.7
155.14398	14.9
169.15962	15.3
181.16019	0.7
197.19112	34.6
225.18649	2.8
241.18140	3.5
243.19641	100.0
244.19958	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	243.1964
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
58.94991	0.9
59.01387	8.9
61.98832	24.2
62.76210	0.8
82.02984	1.1
85.36440	0.8
86.31082	0.9
90.36861	0.9
102.87012	1.1
110.02483	1.0
111.60357	0.9
146.21642	0.9
162.02489	0.8
183.17567	1.5
225.18433	1.4
243.19638	100.0
244.19969	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1965
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
56.05215	0.5
59.01368	3.1
59.80910	0.4
61.98539	0.7
61.98831	13.4
63.46584	0.4
65.15642	0.5
99.92609	0.6
116.92865	2.7
158.93970	1.1
169.15976	0.8
183.97954	0.5
193.15985	0.6
195.17543	5.8
197.19112	89.0
198.19406	2.7
225.18605	2.2
233.86282	0.6
235.83125	0.6
243.19655	100.0
244.19978	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	245.043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10456	0.5
59.10077	0.6
63.96459	0.5
78.95901	100.0
79.95720	0.6
80.96499	1.3
82.29449	0.5
85.43739	0.6
94.98080	3.7
95.10094	0.6
96.24664	0.6
96.96949	9.9
102.05661	0.8
102.30917	0.5
116.28075	0.5
119.09574	0.6
124.20776	0.6
140.85309	0.6
147.04886	0.7
150.98006	0.7
152.99577	66.4
171.00629	29.7
245.04329	64.6
245.06924	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54593	0.4
59.01380	0.6
63.07984	0.4
71.01381	0.9
78.95900	100.0
83.41425	0.4
87.00868	0.4
92.11812	0.5
94.98083	1.7
96.96953	28.1
101.02410	0.6
115.00379	3.4
115.68812	0.5
115.76621	0.4
116.07159	0.9
128.03555	1.1
131.23035	0.4
133.01410	4.2
150.98021	0.6
152.99590	51.9
171.00642	26.1
245.04329	50.4
245.06932	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0932
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
58.02983	36.9
59.01382	59.4
61.98811	3.9
64.20240	4.5
70.02969	19.3
72.04531	6.4
73.02927	3.9
74.02470	99.7
76.39781	3.8
80.97946	3.6
87.00881	5.1
92.33427	3.8
98.02465	35.7
101.24025	3.5
105.63806	3.5
116.03511	24.2
116.05032	46.8
116.92858	4.5
142.06665	14.7
153.91116	4.2
162.93604	3.7
174.99243	6.2
180.84378	4.2
201.10292	8.4
203.08304	100.0
245.09288	85.5
245.13840	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1911
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
54.40884	0.7
55.17973	0.5
59.01395	6.5
61.98832	1.6
64.34535	0.7
87.00899	1.1
88.57257	0.6
94.80611	0.7
99.92568	1.3
116.92812	4.9
179.63380	0.6
180.46257	0.6
229.15967	3.1
241.68288	0.6
245.19110	100.0
246.19356	3.6
267.33252	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65248	0.6
55.01877	1.1
59.01382	8.3
61.98810	0.7
70.02974	0.7
71.01378	7.2
72.04535	3.2
72.99299	2.9
73.02940	0.7
74.02473	1.1
82.02971	1.3
82.06605	0.6
96.00922	4.8
96.95992	1.3
98.02460	0.8
99.00883	0.9
99.06493	0.6
109.01691	40.0
114.01939	2.7
114.09222	5.4
115.00395	0.9
121.02931	0.7
130.08725	100.0
138.09259	1.2
138.97058	1.1
140.10806	18.2
142.08727	17.5
154.18153	0.7
156.10298	0.7
166.08719	9.8
168.06670	1.1
184.09755	6.3
186.07712	2.6
186.95711	0.7
191.10843	1.2
198.99239	0.9
210.07722	39.7
223.53200	0.6
228.08771	16.6
246.09772	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	246.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72535	0.4
51.17917	0.5
55.01879	1.2
57.43057	0.5
59.01390	6.1
62.31791	0.5
70.02959	0.7
71.01389	7.2
72.04544	1.3
78.00008	0.5
80.30921	0.6
82.02980	2.6
82.06609	1.3
96.00908	3.6
99.00883	1.1
108.65593	0.5
109.01693	36.5
114.01948	3.7
114.09241	6.9
115.00386	1.0
124.04033	2.2
130.08725	100.0
138.09227	2.8
140.10814	16.7
142.08731	18.7
156.10231	1.0
166.08716	10.3
168.06644	1.1
184.09729	4.5
186.07721	3.3
210.07732	35.5
228.08806	11.1
246.09872	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	247.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00994	0.5
57.03456	6.1
57.31628	0.6
59.01381	9.3
63.19313	0.6
71.01388	1.0
72.99313	0.7
83.05024	12.0
85.02937	0.6
87.00874	0.7
89.02459	2.3
90.02925	0.5
91.03954	0.7
100.39719	0.6
109.06597	3.7
111.08155	100.0
121.02959	0.8
129.09169	4.1
164.50523	0.6
173.08189	66.8
174.08456	0.8
203.64297	0.6
206.10056	0.7
231.67110	0.5
247.06349	0.8
247.11871	26.5
247.15596	1.0
247.19130	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1703
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
58.16898	0.1
59.01366	0.8
72.43803	0.1
77.99352	0.2
81.28588	0.2
84.05943	0.2
109.22299	0.2
110.87410	0.2
121.02972	0.2
128.04526	0.2
205.16083	0.2
220.17038	0.4
231.13826	0.8
247.17030	100.0
248.17393	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	249.15
Annotation	Sch 601254
Peak:m/z	Relative Intensity
51.21481	3.0
54.03367	2.8
56.61094	2.9
58.29693	3.1
59.01382	54.1
61.98825	15.1
64.47814	3.1
69.03460	42.5
73.02921	7.2
73.52303	3.2
83.04989	3.6
85.02911	3.3
87.00875	35.0
87.84392	3.9
94.55067	3.4
127.67755	3.2
133.95750	3.5
193.12189	4.8
201.52896	4.0
205.12398	6.6
205.16016	4.3
221.15439	15.7
231.13893	34.8
249.07652	5.7
249.14980	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	251.2018
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
50.51274	0.4
53.09285	0.4
56.05977	0.4
58.01780	0.4
59.01371	1.9
64.98227	0.5
67.23125	0.4
70.66158	0.4
76.57243	0.4
105.74326	0.5
129.78534	0.5
144.16435	0.5
172.16206	0.4
186.40588	0.4
233.19202	0.6
251.20172	100.0
252.20518	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	253.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.6
59.01387	100.0
69.03451	6.7
70.99593	0.6
71.01375	4.8
73.02930	0.8
85.02946	1.3
87.00875	1.6
87.28249	0.7
95.05025	1.0
96.96025	0.9
97.02946	5.5
99.00848	0.8
101.02429	3.1
105.07105	1.0
107.05002	1.2
108.05824	1.4
108.62179	0.9
109.06597	6.9
113.06063	3.2
121.38862	0.9
122.03735	8.8
123.08147	3.3
124.08709	0.7
125.06053	4.4
133.06552	0.8
136.05330	1.5
137.06046	4.0
138.06859	21.6
139.07635	11.3
147.08220	3.2
149.09711	11.1
151.07654	25.3
151.08902	0.8
152.04774	1.5
152.08427	8.4
153.09209	29.5
155.03365	0.9
157.06558	1.6
161.04570	5.2
164.81357	0.8
165.09238	1.1
173.09715	4.3
175.07664	4.0
176.08421	0.9
191.10788	26.4
193.07153	14.5
209.41934	0.8
253.05122	5.1
253.10828	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	253.1083
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
57.03441	4.1
59.01387	21.0
62.79658	0.8
63.79406	0.7
67.81258	0.8
81.03460	3.1
91.00433	0.8
92.63262	0.9
105.07048	1.7
107.05010	1.8
109.02931	1.8
109.06579	3.6
119.08640	1.4
121.06560	1.2
122.03735	2.0
124.05268	7.1
124.18441	0.8
125.06071	13.4
133.06616	0.9
135.04512	3.6
139.07671	11.2
147.08162	62.7
149.06076	9.0
149.09718	6.1
151.07661	5.4
157.06609	1.0
158.07378	9.9
161.06090	7.9
164.08432	23.1
165.09206	72.7
166.93559	0.9
173.09712	21.7
175.07619	11.3
176.08360	4.1
182.05849	3.9
183.05708	1.0
189.09209	1.6
191.10791	78.3
193.07159	1.9
202.58971	0.9
208.07448	1.8
209.11844	59.5
253.10829	100.0
254.11281	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	253.1081
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
57.03453	2.1
59.01107	2.5
59.01385	62.4
59.01677	2.3
63.22458	1.4
64.13961	1.4
79.87412	1.6
81.03454	1.4
109.02985	2.6
109.06603	1.6
115.31281	1.8
115.55614	1.4
121.75741	1.6
124.05297	8.5
125.06043	13.5
135.04520	2.8
138.06860	1.7
139.07681	13.5
139.87292	2.3
147.08173	60.5
149.06056	6.5
149.09764	2.2
151.07669	6.3
158.07356	11.4
160.39592	1.8
161.04674	1.8
161.06061	8.2
164.08453	24.4
165.09201	78.3
173.09744	19.4
175.07632	10.7
176.08437	2.5
180.44887	1.6
182.05864	2.2
191.10786	81.6
193.07193	10.4
207.10426	2.0
209.11830	62.4
253.10831	100.0
254.84547	1.7
267.36859	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	253.2174
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
57.14728	0.4
59.01150	0.5
59.01389	7.9
63.43536	0.4
71.08507	0.4
84.63953	0.5
105.29942	0.4
107.64272	0.4
193.07156	0.7
253.21730	100.0
254.22017	3.2
267.59677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2173
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
53.01548	0.4
55.78329	0.4
56.16324	0.4
59.01110	0.7
59.01385	15.3
61.45555	0.4
64.34232	0.5
69.04339	0.4
75.61990	0.4
76.17593	0.5
83.05009	0.6
85.33978	0.4
85.58926	0.5
87.13647	0.4
98.84094	0.5
115.26602	0.4
125.50229	0.5
138.98622	0.5
172.76985	0.5
193.07199	2.2
235.20694	2.0
253.21727	100.0
254.22145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71257	0.4
53.64714	0.5
54.82502	0.4
57.03222	0.6
57.03453	8.7
58.00591	0.8
59.01394	8.6
65.73529	0.4
66.31738	0.4
69.03461	2.3
72.99295	0.7
73.02939	6.6
75.00877	6.1
76.57095	0.6
78.95897	0.8
80.73402	0.5
85.02936	2.0
89.02435	0.6
89.02972	0.5
92.11809	0.7
92.65543	0.5
95.05000	1.0
97.02930	1.1
97.06543	1.0
100.20982	0.5
101.16100	0.5
107.05003	0.6
109.06577	1.0
115.08997	0.5
120.05807	0.6
123.08165	11.3
125.09711	2.8
133.06581	1.0
135.08165	7.1
137.09738	5.7
149.09721	2.6
151.07782	0.6
151.11281	11.2
153.09221	42.4
153.12846	4.8
161.02443	0.6
161.09718	0.7
163.11317	4.5
165.09215	1.1
173.09821	0.6
175.11298	3.2
176.08446	0.8
179.10774	2.2
181.12379	5.1
182.05852	0.8
191.10802	17.5
191.85207	0.5
193.12230	1.0
211.13422	8.1
219.84560	0.9
255.12404	100.0
255.23289	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23383	0.2
59.01382	100.0
59.81575	0.2
75.00868	1.3
108.32050	0.2
108.63539	0.2
119.56660	0.2
128.87614	0.2
131.54498	0.2
132.12877	0.2
164.34158	0.2
165.01987	0.4
193.01480	1.3
208.03780	1.8
222.90344	0.2
223.06201	1.3
240.90100	0.3
247.97672	0.2
255.12613	0.3
255.23300	7.0
255.25812	0.3
268.43472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03241	0.4
57.03458	8.4
58.00592	0.9
59.01144	0.6
59.01388	8.3
69.03455	2.1
70.76744	0.5
72.99327	0.5
73.02958	5.7
75.00880	4.9
78.65611	0.5
78.95891	1.0
83.05032	0.7
85.02951	2.6
97.02927	1.0
97.06583	1.0
107.05042	1.1
109.06589	1.2
110.92059	0.5
111.04513	0.7
123.08174	10.2
125.09688	3.8
133.06577	1.1
135.08150	6.4
137.09695	5.3
147.08211	0.5
149.09726	3.0
151.07637	1.1
151.10178	0.9
151.11293	12.3
152.91869	0.5
153.09209	37.9
153.12837	5.3
156.94719	0.5
163.11290	4.8
165.09204	2.0
165.12891	1.0
173.09674	1.0
175.11320	2.0
176.08456	2.0
179.10773	3.2
181.12378	6.0
189.09155	0.8
191.10788	18.3
193.12346	2.0
209.11845	1.1
211.13422	7.8
219.84613	3.2
222.01639	0.8
237.04086	1.2
255.12404	100.0
255.23314	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2123
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
54.82612	0.4
55.01857	1.1
58.05923	0.5
59.01352	2.1
65.17683	0.4
67.28237	0.4
76.57316	0.5
78.65814	0.4
91.16494	0.5
116.92860	5.3
141.12621	0.5
145.34305	0.4
183.17546	0.9
207.17627	1.0
209.19135	6.8
211.20680	95.0
212.20970	0.6
219.84615	3.6
221.84245	7.4
239.20262	2.1
256.23834	0.7
257.21237	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	259.0223
Annotation	D-myo-Inositol-1-phosphate
Peak:m/z	Relative Intensity
50.50384	0.3
58.04794	0.3
59.01373	1.3
70.92358	0.3
71.01390	0.4
72.43087	0.3
72.89985	0.3
73.08682	0.3
78.95900	100.0
80.96515	0.5
92.12321	0.4
96.95998	8.2
96.96953	21.7
103.92030	0.6
107.05091	0.4
110.98542	3.8
121.02885	0.4
122.89437	2.1
124.89105	2.5
125.87312	0.6
127.87012	8.2
135.04549	2.0
138.97063	1.6
157.86275	0.5
159.86015	4.4
161.04585	2.2
177.91232	0.6
179.90953	0.7
187.00775	0.4
198.99277	1.3
203.86975	0.7
221.83557	1.5
221.90410	0.5
223.83157	3.3
236.81201	0.3
241.01262	0.4
241.10980	0.4
259.02252	31.5
260.07706	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0226
Annotation	D-myo-Inositol-1-phosphate
Peak:m/z	Relative Intensity
55.60318	0.2
59.01402	0.7
59.99464	0.1
78.95900	100.0
80.74233	0.2
80.96534	0.2
96.96010	2.8
96.96950	7.8
96.97564	0.3
114.82284	0.2
152.41415	0.2
189.09239	0.2
189.76472	0.2
198.92093	0.2
198.99088	0.3
241.01233	0.3
259.02252	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	259.1187
Annotation	TRIPROPIONIN
Peak:m/z	Relative Intensity
57.03436	5.3
57.58836	1.1
59.01385	100.0
68.00729	1.1
69.03442	1.9
69.14471	1.1
71.01378	1.4
71.05012	2.7
73.02943	44.8
78.95885	2.6
83.05024	1.9
85.02946	3.0
87.00867	8.4
87.84047	1.1
92.67152	1.2
96.96935	2.8
97.06559	6.9
99.04544	1.9
107.05022	4.8
110.03681	1.8
113.02465	8.2
115.04015	2.3
123.08166	7.0
125.06062	21.1
127.03952	1.8
127.07657	1.5
130.08722	2.4
136.55649	1.3
137.09755	2.4
141.09229	2.2
167.07153	8.3
167.24448	1.3
172.07698	6.0
181.08714	1.8
182.68727	1.5
185.08189	78.1
197.11789	12.9
199.06042	2.3
199.09787	9.8
215.12860	2.0
223.09868	1.6
231.13368	1.3
241.10756	2.9
259.09241	2.7
259.11884	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0231
Annotation	Sulfotyrosine
Peak:m/z	Relative Intensity
50.78853	1.0
54.26187	1.0
54.84267	1.0
59.01379	1.6
59.71430	0.9
60.45774	1.1
61.80408	1.0
72.00907	14.5
74.02470	19.0
78.95905	2.0
79.95729	40.2
80.96526	1.2
82.02973	3.9
84.04532	1.1
90.40189	0.9
93.03441	37.9
101.02442	1.9
106.04232	5.4
107.04993	2.1
113.02480	1.2
115.00337	1.0
119.05013	89.8
128.03528	37.0
131.90085	1.0
135.04520	9.9
136.07663	2.4
163.03996	15.7
170.04553	1.8
175.38959	1.1
180.06656	85.7
183.16910	1.0
185.99994	2.1
199.00710	37.9
199.30402	1.0
200.05678	4.7
215.00203	20.1
244.38744	1.1
260.02347	100.0
260.07755	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	261.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99990	1.1
55.92232	1.0
57.03452	64.1
59.01161	1.5
59.01386	25.4
73.53731	1.2
74.02464	5.0
84.03416	1.1
85.06441	1.2
96.95996	1.8
99.03868	2.7
99.04510	74.0
101.02436	28.7
117.05556	8.1
125.09738	1.2
161.04550	100.0
161.09717	2.8
164.08382	2.4
179.10722	1.7
181.05083	2.4
201.24043	1.6
218.86021	1.4
223.09682	8.2
224.13934	1.3
261.00827	1.7
261.04169	1.4
261.07559	1.6
261.13370	3.0
282.11105	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	261.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68408	0.3
57.03450	4.4
59.01369	4.4
60.65351	0.3
68.59759	0.3
74.02469	0.8
76.58099	0.4
83.05019	0.5
89.02430	1.8
91.03983	1.4
97.06577	14.0
98.02469	0.4
116.03516	0.5
119.04986	0.6
123.08155	6.2
125.09702	100.0
126.10047	0.5
143.10744	1.5
163.03955	0.5
169.08698	3.0
181.05095	0.7
187.09740	67.2
188.10115	1.5
228.49849	0.4
261.00757	1.6
261.13412	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	261.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24887	0.2
52.56163	0.2
55.42925	0.2
57.03455	4.3
57.65013	0.2
59.01390	2.3
59.01644	0.2
61.81217	0.2
63.85220	0.2
67.95637	0.2
67.95995	0.2
83.05048	0.5
89.02437	0.4
91.03989	0.6
95.05012	0.4
97.06583	12.3
101.96765	0.2
120.99644	0.3
123.08145	6.7
125.09707	100.0
126.10036	0.4
143.10791	2.0
148.79623	0.3
169.08675	3.6
174.52367	0.3
187.09750	64.7
188.10181	0.9
215.42157	0.2
260.35455	0.3
261.13428	24.3
265.80515	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95624	0.2
59.01385	100.0
63.82357	0.2
66.68878	0.2
67.16852	0.2
71.01357	0.3
73.02944	0.5
76.57513	0.4
79.95724	0.9
101.02465	0.5
113.02406	0.2
153.01955	0.5
168.04291	0.5
203.05708	0.3
225.11354	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	263.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	1.7
59.01387	36.7
60.55963	1.0
61.98816	1.3
62.44082	0.7
63.83498	0.8
72.00911	12.0
74.02470	21.2
80.96497	0.8
82.02987	1.1
82.95409	1.9
97.79592	0.7
101.02426	3.7
116.05058	70.3
117.05504	0.9
117.19210	0.8
120.99631	1.0
130.06589	1.7
130.61162	0.8
142.06624	18.8
146.06194	0.9
149.91805	0.9
157.07686	1.0
159.09303	11.7
178.84807	0.9
183.11412	4.2
186.05676	3.5
203.08287	100.0
204.08578	1.6
225.06445	1.4
227.10352	5.5
256.08475	0.8
263.03851	10.4
263.15054	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	263.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.9
55.56310	0.7
56.19005	0.9
58.16519	0.7
59.01386	100.0
61.98819	1.7
69.03413	0.7
71.01392	6.6
73.02946	3.1
81.03455	0.7
82.95398	4.9
83.01397	1.5
85.02939	4.6
91.99267	0.7
99.00846	1.0
101.02431	9.3
106.29111	0.8
113.02437	3.0
115.05307	0.8
136.01646	1.5
137.02391	5.0
147.29913	0.8
161.04506	1.4
181.08665	0.9
191.07239	0.9
214.70374	0.8
221.10315	8.7
263.14890	1.0
263.88681	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1288
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
51.66157	2.7
53.98317	3.0
54.82112	3.4
59.01390	58.0
71.01399	4.2
84.81330	3.5
91.15447	4.1
92.53206	4.1
97.02953	14.0
101.02448	4.2
111.04541	4.4
113.06110	5.7
119.08640	5.9
120.04126	3.9
121.06613	5.0
122.03722	23.0
125.06089	19.0
128.33951	3.4
136.05316	13.6
137.06076	6.6
138.06871	24.2
139.07654	32.6
148.05286	14.7
149.06053	3.9
151.07628	71.4
152.04765	5.1
152.08412	32.6
153.09218	4.6
161.09805	4.7
163.07695	7.7
167.07129	4.4
185.09801	3.7
188.08385	4.5
189.09166	5.9
201.12897	32.2
203.10782	31.3
204.11554	89.5
219.13922	100.0
219.15973	6.2
263.09375	4.2
263.12875	6.5
273.73782	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	263.2016
Annotation	KDC 165
Peak:m/z	Relative Intensity
51.79537	0.9
59.01110	1.1
59.01385	23.3
61.98818	4.2
67.01896	0.9
68.05676	0.9
70.98697	1.0
75.82928	1.0
82.95399	6.1
85.02908	1.0
93.46677	1.0
101.02392	1.1
105.81504	0.9
105.95432	1.0
113.02409	1.1
121.02779	1.1
121.12325	1.3
176.61035	1.0
189.80705	1.1
263.20160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83162	0.3
59.01384	16.3
87.05555	0.3
87.79381	0.3
89.02435	42.4
89.03960	1.8
89.36383	0.4
96.96007	0.5
114.38879	0.5
114.42343	0.3
117.03436	5.0
132.02158	10.6
134.03728	100.0
134.56212	0.4
137.02370	0.6
143.10741	0.3
149.06070	12.6
160.01646	42.8
175.03993	51.4
178.02734	1.9
193.05049	49.7
205.16028	0.5
244.57588	0.3
265.07144	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0718
Annotation	Luisol B
Peak:m/z	Relative Intensity
54.58741	1.1
59.01377	8.0
60.97205	0.9
63.03278	0.8
74.50945	0.9
78.11955	0.9
79.30968	1.0
83.23700	1.0
93.03413	1.3
95.01376	4.2
99.00868	1.1
107.05009	11.9
111.00819	0.9
117.79491	0.9
119.04993	8.1
123.00871	4.4
134.03780	0.9
135.04510	33.2
136.04106	1.0
137.06068	1.1
145.02904	1.2
147.04506	18.1
161.02370	2.2
162.03189	1.6
163.04012	28.2
178.02715	1.1
179.03452	2.2
181.35851	1.0
191.03510	16.0
205.15927	3.4
207.03018	2.2
216.59865	1.1
226.25664	1.1
235.02480	100.0
249.04024	6.7
250.04826	98.3
265.04282	2.4
265.07166	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03444	1.7
58.00594	1.6
59.01384	100.0
64.33004	0.9
68.62790	0.9
71.00981	2.0
71.01376	52.6
72.99297	2.2
73.02934	1.5
83.01364	1.0
85.02934	37.1
87.00879	1.5
87.64244	0.9
89.01871	2.2
89.02428	54.6
92.11624	2.0
95.01366	4.0
101.02422	20.4
103.03987	5.6
113.02420	16.3
119.03465	17.7
143.03493	1.9
150.04227	1.2
161.04666	1.3
165.06570	1.1
179.05649	5.8
181.64194	1.2
194.01602	1.0
205.15988	1.7
241.92445	1.1
245.76749	1.1
260.19095	1.1
265.09360	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	265.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
57.03460	1.2
57.24923	0.9
58.00601	2.1
59.01393	100.0
71.01388	46.4
72.99304	4.1
73.02947	1.4
83.01348	1.7
85.02465	1.6
85.02953	39.1
86.31765	0.9
87.00844	2.0
89.02441	54.9
95.01365	5.1
101.02434	19.5
103.03978	5.5
113.02441	15.2
119.03490	15.9
131.03447	1.7
143.03505	1.5
149.04512	1.2
161.04521	1.7
168.88957	1.2
179.05568	5.5
205.15974	2.1
265.09341	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	265.1446
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
55.98423	1.2
59.01392	12.8
78.95897	100.0
82.95390	1.7
85.02978	1.3
95.01402	1.8
103.04023	1.4
148.87457	1.7
149.92299	1.5
150.23047	1.3
153.03232	6.5
158.22876	1.6
205.15996	5.7
209.09581	2.9
215.68234	1.4
221.15491	92.1
221.17679	3.1
265.15848	39.2
280.37820	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1445
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
53.04152	1.0
59.01378	16.7
61.98829	1.9
78.95898	8.4
82.95410	2.2
84.95126	2.0
93.53120	1.3
103.04032	1.6
177.16510	1.7
205.16104	6.9
221.15456	100.0
228.72006	1.3
265.14288	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	265.2176
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
53.27089	0.2
59.01372	1.2
65.98877	0.3
83.17058	0.3
84.64711	0.3
96.95969	0.4
103.19413	0.3
115.12890	0.4
119.56755	0.4
144.78009	0.3
205.15910	0.4
211.92834	0.4
233.94608	0.4
247.20715	0.4
255.69434	0.4
257.38397	0.3
265.21744	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02991	4.0
59.01387	4.7
59.82359	0.3
65.01424	0.3
66.00985	0.5
71.01395	0.6
82.04102	1.7
83.29082	0.3
85.02946	0.4
89.02407	0.7
90.62772	0.4
106.02819	0.6
106.04125	0.6
107.03641	6.6
108.02042	6.7
109.43694	0.3
119.05015	4.2
126.03084	13.9
133.01553	39.1
133.05144	0.4
134.03578	2.1
134.04732	1.5
149.03447	2.1
150.04213	100.0
151.02625	0.8
168.94797	0.4
176.05789	13.7
180.06635	2.0
222.07698	2.2
233.25497	0.3
248.47478	0.3
257.38306	0.4
266.08951	52.4
285.02560	0.3
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	Unknow
Peak:m/z	Relative Intensity
58.02987	0.2
59.01377	0.6
61.98828	0.3
64.12928	0.1
82.07601	0.2
92.02543	1.2
92.11746	0.3
107.03634	5.9
134.04721	100.0
135.05168	0.2
151.02621	2.8
163.03818	0.2
206.68559	0.2
219.50842	0.1
238.26625	0.2
266.08939	2.8
267.07288	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03947	0.2
57.03420	0.3
59.01383	4.2
61.98802	0.2
71.01386	2.4
74.99089	0.4
78.28785	0.2
82.84306	0.3
85.02943	1.3
87.00883	1.5
89.02469	0.3
92.02538	5.1
97.80976	0.3
101.02538	0.3
108.02041	2.7
110.41628	0.3
113.02421	0.5
115.00372	2.0
124.60023	0.3
126.03079	3.3
133.01430	2.3
135.03120	100.0
178.49927	0.3
222.87785	0.3
267.07346	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64704	0.9
53.54906	1.0
55.01892	2.1
56.76477	0.8
57.03449	5.5
59.01108	1.5
59.01386	36.8
64.34656	0.9
65.76060	1.1
67.96645	0.9
71.01382	56.5
72.99317	7.5
75.00874	17.4
76.62749	1.0
85.02949	43.9
85.03468	1.4
87.00870	18.4
89.02435	15.0
91.04019	1.0
95.01366	5.8
95.18150	1.0
99.00864	12.3
103.00354	2.4
111.00813	1.4
111.54873	1.0
113.01715	1.9
113.02448	47.7
115.00368	44.2
117.01978	1.9
127.03957	1.0
129.01889	1.7
133.01434	60.6
141.51871	1.0
162.52266	1.0
175.02475	2.2
220.76341	1.1
223.08284	1.3
249.06110	3.9
267.07236	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0875
Annotation	Disperse Blue 1
Peak:m/z	Relative Intensity
59.01383	18.5
71.01358	0.8
87.00874	3.8
89.02425	1.1
91.04006	1.5
95.05039	1.5
105.03454	11.4
117.03437	0.8
121.02974	2.9
123.04546	1.5
132.01236	1.4
132.02168	16.3
133.02951	100.0
134.03735	41.7
135.04509	2.9
137.02441	0.9
147.04620	0.8
148.05287	7.2
149.06094	21.1
153.59653	0.7
160.01656	64.1
161.02490	0.9
162.03175	0.9
163.04041	1.0
167.03488	0.7
175.04010	48.6
175.05533	1.6
177.01944	30.2
177.05536	1.4
178.02820	1.0
179.03520	4.0
189.40063	0.7
193.05064	22.5
193.06796	0.8
207.08679	0.8
207.10452	0.9
209.04593	0.8
221.04613	1.4
235.38335	0.7
252.06406	66.5
267.08771	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0875
Annotation	Disperse Blue 1
Peak:m/z	Relative Intensity
59.01387	12.6
59.25261	0.5
64.35148	0.5
71.01379	0.8
85.02913	0.5
86.91657	0.5
87.00867	7.4
89.02417	0.7
96.95999	2.3
105.01920	0.5
113.02435	0.6
114.50100	0.5
119.05016	2.0
121.02951	1.0
130.08759	0.5
130.32300	0.5
133.02940	0.6
134.03734	100.0
136.01672	0.5
137.02518	0.6
146.99350	0.5
147.04509	3.1
149.06078	29.4
170.88907	0.6
192.04247	2.3
197.04567	0.9
204.25836	0.5
267.08905	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	267.233
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
52.88743	0.5
59.01356	0.5
59.20138	0.4
60.21257	0.5
66.19350	0.4
66.25730	0.4
74.77336	0.5
109.61368	0.5
131.96416	0.6
173.12978	0.5
199.07191	0.5
267.23294	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1033
Annotation	Pentamethoxyacetophenone
Peak:m/z	Relative Intensity
57.03451	1.8
59.01374	2.1
60.21554	0.8
62.25327	0.8
69.03458	24.1
75.00869	1.3
78.95867	0.9
81.03455	1.0
82.80794	0.8
83.05019	1.4
85.02943	1.2
87.00891	1.2
88.98788	1.1
89.02447	11.4
92.65788	1.0
93.03452	1.7
95.05014	4.8
105.03406	1.7
107.05027	2.3
109.02960	5.0
109.06573	5.4
111.04518	2.2
121.02960	1.3
122.03731	3.7
123.04523	1.9
123.08172	1.2
124.05260	1.6
125.06079	22.5
133.06602	6.6
135.08125	1.6
137.06091	2.1
139.07617	6.3
144.05797	2.0
147.08194	13.4
148.05301	4.6
149.09720	1.1
151.07655	34.3
155.75618	0.9
159.04518	1.4
159.08151	9.0
161.06085	8.1
161.09717	7.6
163.07631	6.8
163.11253	2.0
164.08504	2.1
165.09192	19.2
173.06070	5.2
174.06953	1.2
177.09212	38.0
177.10725	1.7
188.08441	2.0
189.09189	20.7
207.10272	26.9
225.11377	8.8
269.04520	2.2
269.10333	100.0
269.21222	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	269.1031
Annotation	Pentamethoxyacetophenone
Peak:m/z	Relative Intensity
51.61894	0.8
52.12703	0.9
57.03434	1.4
57.92842	0.9
59.01382	2.1
69.03454	15.9
73.70830	0.8
75.00821	1.0
78.95905	1.2
83.05036	1.7
89.02436	1.5
95.05029	4.2
97.06540	0.9
107.05007	3.9
109.02955	4.1
109.06601	1.9
111.04516	3.5
119.05099	0.8
119.79829	0.9
121.02877	1.0
122.03725	1.6
123.04489	1.9
124.05266	3.5
125.06080	20.1
133.06599	5.9
135.08142	1.7
136.05261	3.5
137.06068	4.0
139.07654	4.5
144.05815	2.2
147.08144	8.0
148.05269	2.0
149.06160	1.0
149.09735	1.1
151.07635	27.5
159.04526	1.4
159.08182	6.6
161.06087	9.0
161.09688	4.6
162.06808	1.1
163.07645	4.3
163.11287	1.7
164.08430	1.4
165.09190	16.3
173.06042	3.8
174.06885	1.5
174.28523	1.0
177.09198	30.4
180.87057	0.9
188.08386	1.3
189.09193	16.8
207.10263	25.3
225.11296	5.9
269.10309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1031
Annotation	Pentamethoxyacetophenone
Peak:m/z	Relative Intensity
57.03452	3.1
59.01380	8.7
67.01890	1.8
69.03447	17.2
70.84652	1.9
75.00883	2.3
75.92968	2.1
78.95884	4.9
83.05027	3.5
89.02423	16.8
96.96010	3.5
107.05001	3.7
109.02905	4.0
109.06602	2.1
122.03704	4.6
123.08115	2.8
124.05274	3.2
125.06055	24.2
133.06546	11.2
136.05267	8.8
139.07626	3.6
147.08119	18.7
148.05280	3.2
151.07649	36.7
159.08186	4.4
161.06067	11.8
161.09727	3.3
163.07655	8.9
163.11353	2.3
164.08459	2.6
165.09203	37.0
174.03185	2.3
174.06949	2.3
177.09195	36.8
189.09210	17.3
192.07896	8.3
207.01247	3.5
207.10240	25.8
225.11316	9.8
226.93088	3.3
269.04578	4.6
269.10315	100.0
269.21237	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	269.1031
Annotation	Pentamethoxyacetophenone
Peak:m/z	Relative Intensity
50.22551	0.9
53.04403	0.9
59.01397	4.3
69.03462	20.4
81.03441	1.9
83.04982	1.3
86.73154	1.0
89.02420	1.5
95.05014	2.5
107.05023	2.9
108.02147	1.2
109.02957	5.0
109.06568	2.1
111.04534	1.7
121.02925	1.5
122.03728	2.9
123.04496	2.1
124.05314	2.5
125.06059	22.8
133.03094	1.3
133.06590	5.5
135.08102	1.8
137.06055	2.5
138.06903	1.4
139.07645	7.6
140.58788	1.1
144.05797	4.6
147.08150	11.4
148.05293	2.8
151.07649	28.3
159.08183	5.0
161.06093	12.5
161.09697	7.3
163.07654	6.9
163.11305	2.2
164.08459	1.7
165.09181	18.7
173.06030	4.7
174.06897	1.4
177.09192	37.3
188.08426	2.5
189.09219	18.5
207.10254	27.5
225.11348	8.9
269.10300	100.0
269.21207	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	269.2123
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
55.83872	0.2
57.03461	2.7
57.87845	0.2
59.01382	0.9
60.99272	0.2
69.03434	0.4
75.00848	0.3
76.57740	0.2
77.21161	0.2
89.02425	1.4
95.05027	3.4
97.06582	14.3
113.09724	6.8
125.09698	0.5
129.40067	0.2
153.12839	0.9
153.87709	0.2
155.75475	0.2
169.15988	2.3
171.13898	1.2
181.16020	0.5
187.50377	0.2
197.19116	0.4
218.68254	0.2
223.20731	1.8
225.22238	10.1
229.29147	0.2
245.29295	0.2
251.20139	9.2
269.21228	100.0
270.21588	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2123
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
59.01380	1.0
72.08131	0.4
72.99287	0.5
75.00853	0.9
84.02164	2.2
89.02430	1.9
96.58369	0.5
97.60900	0.4
115.04235	0.5
133.23320	0.5
135.71159	0.5
138.38760	0.5
189.64763	0.5
194.42403	0.4
197.19073	0.6
198.99193	0.5
223.20697	14.5
251.20163	0.9
264.44644	0.5
267.19589	0.6
269.04565	0.8
269.21249	100.0
270.21613	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	269.2487
Annotation	Margaric acid
Peak:m/z	Relative Intensity
51.82435	0.3
56.03291	0.3
59.01380	0.5
74.79486	0.3
82.95965	0.3
84.42555	0.3
88.98734	0.5
89.02413	1.5
99.92602	0.6
100.16898	0.3
116.92837	0.7
149.16727	0.3
151.87807	0.3
158.93900	0.6
159.23877	0.3
173.31636	0.4
178.28046	0.3
191.56973	0.3
194.42418	0.3
194.79256	0.3
256.64542	0.3
269.24869	100.0
270.25247	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	271.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09063	2.3
57.22458	2.5
59.01371	4.2
59.49889	2.6
65.48078	2.6
80.89542	2.9
85.04091	2.4
103.85238	3.2
110.02457	11.6
110.18538	2.9
134.06090	53.8
136.04028	28.4
160.03963	4.5
163.26625	2.7
167.10493	2.9
195.06868	4.7
210.09253	14.9
213.08095	24.0
223.08736	4.8
225.06633	4.0
228.10327	37.4
237.06673	14.3
238.07484	75.0
241.06152	11.8
253.09818	100.0
255.07716	18.1
256.08502	21.1
271.06271	3.7
271.10883	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	271.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41498	0.4
54.82655	0.5
56.67444	0.4
56.88259	0.4
57.50986	0.4
59.01384	100.0
61.98827	0.7
67.92215	0.4
71.05045	0.5
72.99294	0.6
82.93584	0.5
83.05039	0.6
91.43192	0.4
100.70619	0.4
104.65942	0.5
109.06609	0.6
125.09761	0.4
149.09752	0.6
167.10814	1.0
176.01158	2.5
191.03519	1.8
211.09891	0.8
227.12996	2.1
271.12021	1.9
271.15527	0.7
271.22565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46318	0.4
59.01388	100.0
61.98834	2.3
63.13392	0.5
63.99249	1.0
68.34303	0.5
71.01373	1.2
87.00867	0.9
122.03396	0.5
137.19731	0.6
138.91722	0.5
139.07637	0.9
139.11195	0.6
148.01567	0.7
167.10774	1.4
176.01178	4.2
183.01225	0.7
191.03487	3.5
211.14569	0.7
224.22578	0.6
227.12857	0.6
271.11902	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	271.228
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
56.18250	0.2
60.81545	0.2
92.12472	0.3
102.74847	0.2
112.85873	0.2
120.91919	0.3
126.34180	0.2
160.64876	0.2
225.22218	5.0
234.98732	0.3
253.21767	1.9
269.21359	1.0
271.22797	100.0
272.23047	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	271.2277
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
55.91061	0.2
56.42701	0.3
59.01379	0.7
66.03454	0.3
68.43620	0.3
88.04023	1.7
89.04382	0.4
100.94399	0.3
113.09718	1.5
135.60594	0.3
139.11293	0.4
140.47699	0.3
141.12849	1.9
146.26222	0.3
149.50963	0.3
204.56963	0.3
211.23799	0.3
212.68567	0.3
225.22299	2.0
253.21732	3.0
269.21188	0.8
271.22794	100.0
272.23157	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	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
54.93451	0.2
57.58643	0.2
59.01367	1.4
62.71331	0.3
70.81938	0.3
79.40821	0.4
83.05027	0.8
92.12359	0.4
97.66899	0.3
105.12762	0.3
111.08170	0.3
111.57574	0.3
113.09711	3.4
116.92881	0.4
136.29434	0.4
141.12878	2.9
144.03072	0.3
145.52742	0.3
146.45404	0.3
155.14355	0.4
156.09811	0.3
225.22250	4.3
253.21788	2.2
269.21201	2.0
271.22794	100.0
272.23212	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	271.228
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
55.01913	0.4
57.03441	2.7
59.01388	3.8
66.65501	0.4
71.05023	14.7
85.06580	1.1
88.03366	0.5
115.56596	0.5
181.15924	0.5
183.17561	12.5
197.19107	14.5
209.19164	0.7
225.22235	24.0
238.93076	0.5
253.21783	2.6
269.21173	3.0
271.22794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
51.10096	0.2
56.67850	0.2
57.55128	0.2
66.75861	0.2
68.34901	0.2
96.31062	0.2
97.06580	1.2
99.08161	6.8
101.85957	0.2
113.09704	0.9
147.50368	0.2
153.12823	0.2
155.14423	5.4
162.51489	0.2
169.15952	1.0
182.65242	0.2
225.20158	0.3
225.22258	8.2
235.20662	0.5
253.21732	1.5
269.21213	2.4
271.22806	100.0
272.23096	1.3
275.90863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
62.20047	0.7
68.27598	0.7
76.40286	0.6
83.57362	0.8
89.46004	0.7
92.11787	0.9
93.83962	0.8
101.07216	0.7
114.29439	0.8
214.35028	0.9
223.20824	5.4
225.22241	84.3
253.21750	1.4
271.22781	100.0
272.23047	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29316	0.2
54.82883	0.3
58.98564	0.3
69.85746	0.4
78.95900	100.0
82.99751	0.3
85.02977	0.3
96.96961	5.7
103.01770	0.3
110.98529	76.7
112.71320	0.3
241.01201	20.0
245.91096	0.4
273.03839	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75198	0.4
59.64621	0.4
74.02483	0.5
74.24096	0.4
78.95896	100.0
83.59527	0.5
85.02950	0.5
87.00866	9.4
95.99774	0.4
96.37929	0.5
96.96941	6.0
110.98521	75.5
115.35841	0.4
124.81379	0.5
170.41237	0.5
181.94020	0.5
237.06133	2.9
241.01189	16.6
273.03821	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	273.077
Annotation	Lecanorin
Peak:m/z	Relative Intensity
54.11853	0.3
59.01351	0.7
62.88500	0.3
63.67011	0.3
92.12361	0.7
116.25292	0.3
119.94524	0.3
121.19447	0.4
129.03442	0.8
143.05009	5.2
145.02832	0.4
155.05003	0.8
159.04517	0.5
171.04512	32.4
181.02866	0.7
182.03734	0.8
187.03986	10.4
197.02437	1.5
198.03204	5.4
199.04008	24.5
209.82562	0.4
213.05713	0.6
214.02705	1.7
215.03506	21.6
226.02698	3.3
229.05055	3.4
230.05772	1.9
240.04213	0.7
242.02222	1.9
243.02982	62.4
244.03505	0.4
257.04565	4.3
258.05328	100.0
259.05771	0.6
273.07703	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
56.07599	0.5
57.03452	16.4
59.01380	4.6
69.92553	0.6
69.92937	0.5
73.02925	2.4
78.95918	0.6
83.01387	1.4
91.99024	0.5
92.65807	0.6
99.92569	0.6
101.02431	100.0
101.06062	1.0
106.76328	0.8
110.98516	0.6
115.67754	0.6
116.92847	3.8
125.09687	1.0
149.09816	1.0
171.10265	19.1
174.69235	0.7
211.13403	3.4
213.11418	0.9
237.11308	0.7
255.12296	2.3
258.05206	1.2
273.13443	20.5
273.17035	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	274.112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57673	0.4
55.07179	0.4
59.01386	3.0
61.98828	0.6
63.96234	0.6
64.53979	0.4
70.06600	0.5
86.26674	0.5
88.04024	0.7
116.92842	6.6
137.81451	0.6
155.10883	0.7
174.98558	0.6
178.12410	0.7
196.13429	100.0
214.89664	0.6
234.07066	0.5
240.12427	30.8
274.11160	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	274.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	60.7
59.01370	5.0
61.98805	1.1
81.90575	1.2
89.97881	1.1
99.92545	5.3
108.96895	1.1
116.07034	1.1
116.92847	64.9
150.94826	1.9
168.13922	100.0
172.88496	5.3
192.95871	13.5
212.12959	2.8
214.89676	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	275.2019
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
54.14083	1.2
59.01368	8.9
62.21417	1.2
68.99564	5.7
106.96469	1.3
109.30580	1.4
112.98538	2.3
116.92847	10.3
120.36960	1.6
152.14059	1.5
169.06395	1.2
192.95822	2.3
231.21175	2.5
275.20187	100.0
289.16211	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	275.2018
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
50.57740	2.6
59.01385	24.0
61.98825	3.1
68.99549	16.8
76.23298	2.9
76.88294	3.0
82.16124	3.1
90.65830	3.1
94.85114	3.4
97.86481	3.0
102.10336	3.1
112.98565	7.6
116.92852	41.0
131.86458	3.1
160.56244	3.3
170.36758	4.3
172.88550	4.0
192.95822	6.9
231.21159	15.3
244.35574	3.0
275.20197	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	276.918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01296	3.9
59.01608	0.6
64.34373	0.3
70.66329	0.3
72.99220	3.2
78.95893	11.8
78.96315	0.7
79.95651	1.1
80.64122	0.3
85.02885	0.5
89.25565	0.3
95.00651	0.3
96.95998	32.7
96.96930	8.7
99.04459	0.3
125.69807	0.3
127.03989	1.3
129.00407	0.4
129.71040	0.3
134.97023	3.3
136.93997	100.0
137.94099	0.4
139.92783	0.4
151.92712	0.5
154.95091	1.3
168.99971	0.6
171.01591	1.4
176.98201	1.1
178.76033	0.3
178.94977	9.4
189.00735	0.4
198.90704	5.0
214.93898	1.1
216.90793	76.0
222.14247	0.3
232.99855	2.4
234.91351	37.9
240.91916	1.2
258.92288	7.1
264.86508	0.3
276.05200	0.5
276.92624	1.7
276.98422	2.2
277.21988	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1081
Annotation	Avicennone G
Peak:m/z	Relative Intensity
51.78391	0.3
52.16348	0.3
53.05180	0.4
54.43507	0.3
59.01374	3.3
71.05007	0.6
77.03979	0.6
86.68958	0.4
95.05026	2.6
96.95412	0.6
96.95999	11.9
105.03451	12.6
105.04153	0.5
119.05022	0.7
119.81471	0.4
123.04516	1.5
127.03966	0.8
132.02167	6.3
133.02950	100.0
134.03748	6.4
135.04503	0.6
137.02440	2.4
147.04533	0.5
149.02534	1.4
149.06082	0.7
151.04008	1.7
153.05447	0.6
155.53017	0.4
160.01654	16.9
161.02495	0.5
175.04024	11.7
177.01930	20.9
178.02692	4.4
193.05109	0.9
213.17799	0.4
262.08472	78.7
277.10809	64.2
290.35556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.108
Annotation	Avicennone G
Peak:m/z	Relative Intensity
51.22268	1.2
59.01376	11.9
61.32166	1.3
61.92413	1.4
62.55005	1.1
92.12370	3.0
99.04480	1.6
105.03449	14.1
127.03999	3.3
132.02145	2.5
133.02942	100.0
134.03732	24.0
137.02417	6.9
149.06108	6.5
160.01656	9.1
175.03957	7.6
177.01935	14.9
178.02695	22.2
193.05009	17.3
250.77129	1.5
262.05710	3.0
262.08481	77.0
277.10803	71.3
277.21423	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	277.1226
Annotation	Pantetheine
Peak:m/z	Relative Intensity
54.82505	0.6
58.02988	5.2
59.01394	11.4
61.98807	0.7
68.95737	0.5
70.02982	13.3
71.01350	0.5
71.05024	31.3
72.00896	1.2
77.03967	0.5
78.95853	0.6
87.05637	9.6
88.31409	0.5
96.95968	0.9
96.96851	0.5
98.11327	0.5
99.04523	10.0
104.24204	0.5
110.88135	0.6
115.05128	2.7
116.07155	5.0
127.04001	3.2
129.05605	0.9
130.03308	7.5
146.08232	100.0
147.05998	4.4
217.11946	18.7
262.37653	0.6
277.12302	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1446
Annotation	Monooctyl phthalate
Peak:m/z	Relative Intensity
54.19522	0.4
59.01384	5.0
59.58067	0.4
61.98797	0.5
63.02388	0.5
66.01101	0.7
79.35071	0.4
85.02974	0.4
91.01907	4.6
95.01406	0.8
99.04480	0.5
110.34975	0.5
120.02163	5.5
121.02943	100.0
127.03995	0.9
127.11317	0.4
134.03781	0.5
136.01620	4.3
277.14453	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.4
61.66851	0.5
62.55399	0.6
71.15967	0.6
71.24125	0.6
75.89133	0.5
94.66411	0.5
120.91463	0.6
166.58974	0.5
174.03462	0.5
190.21962	0.6
213.08083	0.6
219.14105	0.7
277.21725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55655	0.7
57.79591	0.7
59.01382	1.4
65.94393	0.8
66.48459	0.7
74.81187	0.8
77.69077	0.8
120.59312	0.8
177.20345	1.0
277.21719	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.8
61.98831	2.8
66.66014	1.2
71.01348	1.2
85.02964	2.1
85.77302	1.1
92.12453	2.2
96.96979	1.4
105.75583	1.4
116.92874	1.6
127.04018	2.1
128.40463	1.3
134.89514	6.4
147.08153	2.9
171.12544	1.3
191.07101	1.6
233.19142	9.4
241.79137	1.7
257.82617	1.6
277.18164	18.6
277.21716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87960	0.4
56.93919	0.5
59.01385	5.4
61.98827	0.8
67.27835	0.5
73.31236	0.5
76.57430	0.6
76.75410	0.6
88.84669	0.5
127.03960	0.6
190.70009	0.5
217.07118	0.6
259.20737	0.7
277.21732	100.0
278.21957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37271	0.6
56.35612	0.6
57.03447	1.0
59.01374	1.4
59.13334	0.6
69.34615	0.7
75.51604	0.8
89.68906	0.7
96.96004	100.0
98.42185	0.8
111.20683	0.7
112.97370	0.7
133.02925	0.9
135.42540	0.7
153.12973	1.1
199.13435	14.3
210.78809	0.8
279.09073	45.7
279.23276	19.9
288.84732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23101	0.3
53.50656	0.3
55.85413	0.4
57.23373	0.4
59.01365	0.5
73.48775	0.4
100.47544	0.4
128.82933	0.4
279.23294	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.233
Annotation	Unknow
Peak:m/z	Relative Intensity
75.81779	0.4
81.52946	0.4
91.53410	0.4
101.11924	0.4
158.80919	0.5
212.63341	0.4
255.83315	0.5
278.08972	0.5
279.23291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
85.76551	0.5
89.06084	0.5
120.18799	0.5
149.83455	0.5
224.29370	0.6
279.23309	31.5
280.23648	100.0
285.87119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0877
Annotation	alpha-1,5-L-Arabinobiose
Peak:m/z	Relative Intensity
55.01865	4.2
57.03456	15.5
59.01109	1.8
59.01383	41.6
60.45742	1.9
65.62877	1.6
65.97803	1.7
67.42384	1.7
71.01376	63.3
72.30623	1.6
72.99281	2.6
73.02935	1.7
78.57264	1.7
83.01371	4.9
85.02940	86.3
87.00874	28.0
89.02434	4.5
95.01373	4.5
96.95933	2.8
101.02423	10.1
102.05579	11.1
108.11186	2.0
108.90163	2.8
110.89874	4.7
111.00875	2.7
113.01720	3.9
113.02446	88.7
113.03573	2.5
128.03522	10.0
129.01910	4.5
131.04601	8.3
145.06142	2.8
146.04573	11.2
177.45694	1.9
184.00220	2.5
205.07179	3.5
221.06615	9.6
281.08765	100.0
281.11896	4.1
281.24869	2.4
282.84814	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	281.0877
Annotation	alpha-1,5-L-Arabinobiose
Peak:m/z	Relative Intensity
55.01890	1.8
55.15778	0.9
57.03460	15.2
59.01387	29.2
60.98907	0.7
61.98486	0.7
61.98800	1.1
62.11236	0.9
64.73843	0.8
67.01881	2.4
68.99796	1.2
69.03454	1.8
71.01382	65.1
72.99307	2.0
73.02911	1.2
81.03477	0.9
82.96162	0.9
83.01382	5.6
84.02145	1.7
85.02951	82.1
87.00871	32.0
95.01392	7.5
101.02441	2.1
103.00346	4.5
103.04019	1.9
103.19634	1.0
103.92025	4.2
108.06001	0.9
110.02489	1.8
111.00899	4.4
111.02032	1.0
112.01669	1.9
113.02450	94.6
115.51171	0.8
122.89460	1.6
124.89123	9.1
127.04026	1.1
129.01906	4.0
131.03497	1.3
133.01466	1.0
134.66638	1.3
138.82719	1.2
139.00371	2.3
146.53629	1.1
148.90121	7.3
157.01408	1.2
164.89584	5.3
205.07233	6.3
214.43015	1.1
218.90578	2.3
241.03868	1.0
243.06244	1.9
249.06148	4.3
281.08786	100.0
281.24792	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	281.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61911	0.2
52.89049	0.2
55.57631	0.2
57.03471	0.3
58.99614	0.6
59.00031	0.2
59.01387	15.5
59.48164	0.2
61.98836	100.0
71.01373	1.8
71.05028	0.3
73.02954	0.4
82.44974	0.2
85.02946	0.3
88.04021	2.1
89.02441	0.5
101.02466	1.6
103.92036	0.5
113.02463	1.0
122.89426	0.5
124.89099	1.9
131.03503	0.3
140.11267	0.2
146.08292	1.1
176.90517	0.5
218.10394	3.3
221.06837	0.9
221.84291	0.5
280.23785	0.5
281.10977	0.3
281.24875	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	281.1395
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01882	4.2
57.03190	1.2
57.03454	23.0
58.98653	0.9
59.01385	79.9
59.02637	0.8
65.03956	2.3
69.03456	1.5
71.01382	7.0
71.05005	1.2
73.02927	1.2
76.88239	1.2
79.05515	0.9
83.01370	1.4
83.05035	17.8
85.02939	3.9
87.00870	20.5
89.02444	1.7
93.03451	2.0
94.82442	1.0
95.05015	5.8
96.96006	15.0
97.47581	1.0
101.02431	6.2
101.25542	1.0
107.04998	2.0
107.08568	1.1
109.06570	2.0
111.04506	7.2
111.08151	4.6
113.02451	4.8
118.77705	1.0
119.08714	1.7
121.06600	12.9
122.03749	1.4
123.08157	32.7
124.05308	4.5
125.09727	1.0
129.07082	1.1
134.03802	1.5
135.08197	1.3
137.06023	1.2
137.09709	5.6
138.06847	1.5
139.07674	9.7
145.10251	5.8
151.07677	5.0
153.09210	5.0
161.04602	1.6
164.00252	1.1
169.08812	1.6
169.10268	5.2
171.10310	1.5
171.11792	45.3
189.12885	13.6
193.05034	2.4
201.12885	11.5
207.13887	9.8
219.13960	6.3
221.06746	5.0
237.14993	47.5
245.14029	2.2
280.23651	5.1
281.07056	6.7
281.11151	3.4
281.13962	100.0
281.24838	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.2
59.01388	100.0
69.25507	0.2
71.01390	0.9
73.02942	0.3
74.72505	0.2
76.29598	0.2
79.93712	0.2
85.02983	0.3
87.00899	0.8
90.27643	0.2
100.93377	0.2
101.02429	0.7
102.06362	0.2
108.02183	0.5
113.02492	0.4
123.04575	1.2
143.90793	0.2
149.06305	0.2
152.93936	0.2
161.09764	1.2
165.09238	0.8
170.05891	0.4
178.10059	0.4
179.10760	2.2
191.07230	0.4
191.78337	0.2
203.10855	0.3
206.09474	3.9
221.06767	0.4
221.11862	11.2
248.01877	0.2
281.24857	4.8
281.27487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2486
Annotation	Petroselinic acid
Peak:m/z	Relative Intensity
95.03024	0.4
114.39281	0.4
139.30823	0.4
273.07288	0.5
280.80359	0.4
281.24860	100.0
286.14786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0844
Annotation	Guanosine
Peak:m/z	Relative Intensity
51.32568	0.1
55.92381	0.1
59.01387	1.5
59.05791	0.1
60.82439	0.2
66.00970	1.1
66.15623	0.2
82.04102	1.3
103.91978	0.2
106.00505	0.2
107.03631	4.6
108.02033	5.7
124.89091	1.3
126.03085	11.4
130.08717	3.4
133.01555	36.5
145.32278	0.2
150.04211	100.0
151.02626	1.1
151.04591	0.3
281.24915	1.4
282.08463	22.3
282.25275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0857
Annotation	Psilocybin
Peak:m/z	Relative Intensity
54.74928	0.6
59.01370	3.7
80.96487	0.6
96.95998	100.0
157.12369	4.3
203.12938	8.3
282.17264	1.0
282.25095	0.9
283.08603	21.1
283.26453	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	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82859	0.2
59.01383	100.0
60.52471	0.2
73.02935	0.2
74.35878	0.2
79.05552	0.2
87.00881	0.4
91.08927	0.2
91.18295	0.2
92.05721	0.2
96.95997	0.5
102.98612	1.1
124.51205	0.2
127.31184	0.2
147.22604	0.2
163.11354	0.9
175.11340	0.8
187.11234	0.3
205.12354	3.0
243.02090	0.2
283.26398	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	283.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66102	0.1
52.89674	0.1
54.19379	0.1
54.65202	0.1
57.03442	0.2
59.01385	100.0
63.42968	0.2
71.22611	0.2
72.91650	0.2
81.03469	0.2
83.04970	0.2
96.96022	0.2
102.98602	0.6
111.08162	0.3
121.06603	0.8
128.20642	0.2
145.56244	0.2
165.09200	1.9
173.08177	0.2
180.90742	0.1
187.11317	0.2
205.12357	0.2
217.19896	0.2
247.12021	0.3
283.26489	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	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01386	1.0
61.98836	0.1
65.38129	0.1
83.52866	0.1
102.16026	0.1
106.04229	0.6
107.05024	94.8
108.05377	0.3
121.59286	0.1
123.04504	0.3
127.80939	0.1
135.56064	0.1
144.77715	0.2
147.08125	0.2
163.11285	100.0
164.11609	0.8
178.60289	0.2
201.02614	0.3
258.05530	0.2
283.17053	62.3
283.26160	2.8
284.17407	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2231
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
51.69427	0.8
52.92385	0.9
57.85048	0.9
59.01380	11.2
61.98829	9.9
74.02468	100.0
74.79717	1.0
75.00895	1.2
75.06030	1.0
75.26611	0.9
77.43637	1.2
85.46646	1.1
96.17074	1.2
202.02704	1.9
240.23262	5.0
283.26437	5.6
284.22333	46.9
284.26749	9.0
309.24393	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41008	1.1
54.96381	1.1
55.25819	1.2
57.19062	1.0
57.24927	1.0
59.01385	13.5
61.98837	1.7
70.41702	1.0
72.00925	14.4
74.02480	20.8
78.96326	1.0
89.65112	1.2
91.91319	1.2
101.98721	1.2
114.05616	1.4
116.05059	71.1
119.04997	2.2
120.99619	5.0
130.06601	21.4
142.06607	17.1
157.07698	1.7
159.09315	13.8
203.08281	100.0
225.04282	2.9
225.06454	61.1
236.70892	1.4
284.26804	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	285.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01156	0.9
59.01390	15.7
61.05786	0.8
61.98820	1.1
67.47189	0.8
68.65913	0.7
72.00910	13.2
74.02474	20.6
81.83253	0.8
84.09541	0.9
85.03856	0.8
114.05592	1.3
116.05067	64.6
119.05006	5.0
120.99633	5.7
130.06628	17.6
142.06624	17.8
147.96204	0.8
157.07777	3.1
159.09296	12.5
161.04800	3.1
186.05591	1.3
197.04477	0.9
203.08287	100.0
225.06483	58.9
269.05414	1.4
284.26880	1.0
285.08566	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	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72708	0.3
54.83018	0.5
59.01381	100.0
59.72358	0.3
61.98846	0.5
66.12769	0.4
69.59499	0.4
70.26931	0.4
80.15233	0.4
83.04983	0.4
87.00814	0.4
92.11705	0.8
227.05400	0.4
277.05774	0.4
284.26566	0.5
285.13568	0.7
285.17044	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2437
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01870	0.6
59.01360	0.3
64.27030	0.2
65.13705	0.2
82.68227	0.2
83.05009	0.5
93.96587	0.3
211.20670	2.0
234.53192	0.3
235.20667	1.3
237.22249	5.4
239.23819	73.5
240.24181	1.8
244.68901	0.3
258.47266	0.3
267.23416	2.0
283.22998	0.4
285.24384	100.0
286.24698	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	287.1501
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
51.49917	0.2
57.03455	1.3
58.76630	0.2
59.01385	100.0
59.32122	0.3
60.99309	0.3
75.81963	0.3
87.82941	0.3
93.57862	0.3
97.06561	0.4
98.29211	0.3
99.04515	1.9
109.06583	0.3
114.39360	0.3
165.12842	1.2
167.10681	0.4
204.45251	0.3
207.13919	2.5
209.11852	7.9
225.14958	4.1
227.12907	37.0
250.59039	0.3
251.12912	1.2
269.13937	11.2
276.59842	0.3
287.15018	69.5
288.15369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	11.3
60.61939	0.9
61.98849	1.0
130.34732	1.2
197.18999	1.8
207.17538	5.3
217.43169	1.1
223.17099	1.3
225.18600	26.1
241.18082	51.5
269.17590	2.5
287.18658	100.0
287.21896	6.1
288.19067	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	287.2229
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01359	0.7
62.88166	0.2
74.16277	0.2
91.73376	0.2
92.12380	0.4
96.95992	0.5
100.07841	0.2
100.96152	0.2
108.91499	0.2
111.08150	0.2
113.09712	1.7
123.08154	0.2
125.02481	0.2
125.09676	0.4
127.11289	2.8
141.09200	0.3
141.12842	0.9
143.10777	1.0
195.28110	0.2
211.20546	0.2
239.20166	1.2
241.21730	2.0
246.67178	0.3
269.21271	3.2
285.20721	1.9
287.22284	100.0
288.22443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.2
60.59360	0.1
61.01807	0.2
61.98831	100.0
80.47178	0.1
164.97878	0.2
202.35205	0.2
253.10835	0.2
279.60172	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	288.1605
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01384	0.6
63.83418	0.2
80.16951	0.3
81.03439	1.0
81.12318	0.2
82.36526	0.2
92.05064	0.5
93.03431	1.0
95.34226	0.2
108.02151	0.3
108.04548	4.2
109.02938	3.7
112.94737	0.3
134.02480	56.9
135.02249	0.4
135.03268	10.2
136.04036	43.6
137.02475	2.2
148.04066	1.8
149.04848	2.1
176.03513	7.9
177.04318	1.0
181.03796	0.5
189.10214	0.3
190.05145	1.2
204.06642	0.5
287.22385	0.5
288.16071	100.0
289.16287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08079	0.9
58.27298	0.9
58.31603	0.9
59.01380	7.3
71.05022	13.6
88.39993	1.2
97.06566	5.3
101.59653	0.9
106.18262	1.1
119.08627	4.0
123.08150	1.9
244.22014	1.2
245.19075	2.4
289.18097	100.0
290.18234	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	291.1238
Annotation	Curvularin
Peak:m/z	Relative Intensity
55.06163	0.6
55.69202	0.6
56.19792	0.6
59.01366	1.6
63.50964	0.7
71.38620	0.6
93.92203	0.8
94.35580	0.6
95.05006	3.3
105.03434	14.0
121.02940	1.5
132.02129	1.1
133.02934	100.0
134.03716	6.3
137.02463	3.3
147.04483	0.7
148.05272	6.0
149.02388	3.3
160.01611	5.3
161.02429	4.5
161.06142	2.7
162.03185	1.2
175.03987	1.6
177.01904	14.5
178.02730	1.3
193.05063	2.8
194.02147	1.7
247.09801	0.8
256.93396	0.7
276.10001	66.2
291.12384	56.9
292.12799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1238
Annotation	Curvularin
Peak:m/z	Relative Intensity
54.74777	1.4
54.82539	1.5
58.63280	1.4
59.01380	13.7
73.74132	1.4
83.47576	1.6
88.82542	1.5
95.04959	1.6
99.45590	1.5
105.03448	15.0
121.02934	2.7
124.70542	1.7
133.02937	100.0
134.03755	3.8
148.05362	5.1
157.98491	1.6
160.01637	3.2
161.05994	2.1
177.01959	14.4
185.83499	1.5
193.05083	1.8
223.01930	1.9
276.10046	65.0
291.09140	3.4
291.12393	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59275	0.2
50.85042	0.2
52.54544	0.2
55.01889	1.9
57.03452	0.6
59.01391	100.0
61.98851	0.2
71.01383	7.5
72.99302	0.4
73.02943	3.3
76.56950	0.3
83.01390	2.7
83.38383	0.3
85.02953	5.7
87.00917	0.4
89.02435	0.4
92.11797	0.6
99.00881	1.5
101.02430	9.7
113.02454	2.9
114.33183	0.3
120.01268	0.5
121.02949	0.4
125.09692	2.1
126.10079	1.4
129.16591	0.3
159.03065	0.3
161.04593	2.6
169.08755	1.3
170.09105	1.7
249.13419	10.5
249.15816	0.4
295.72821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83879	0.7
54.82455	0.9
54.83369	0.8
59.01390	20.3
61.98812	1.0
71.01407	1.0
72.99282	0.8
85.02940	4.5
89.02416	1.6
91.04005	1.5
101.02448	1.1
121.02901	2.0
123.60886	0.8
125.09684	1.7
127.11243	4.1
137.09682	7.7
143.14278	0.9
153.09209	4.4
155.10776	69.6
171.10265	88.6
187.13321	1.1
198.29393	0.8
199.09769	19.4
206.08469	0.8
217.10818	78.5
291.14532	100.0
291.17825	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	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
59.01385	5.8
61.98830	1.1
63.21112	0.7
71.05019	32.4
73.05910	0.7
97.06575	10.9
107.24329	0.7
181.12326	1.3
183.18004	0.7
193.16074	0.8
195.13844	1.2
207.13901	3.3
219.13872	3.6
235.16965	6.3
247.20491	1.6
266.76544	0.8
273.18692	1.2
279.57919	0.9
291.19669	100.0
314.30688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15977	0.5
57.03442	3.0
59.01381	2.8
59.31661	0.6
73.48899	0.5
85.06567	4.5
90.20068	0.7
97.06604	0.7
101.92287	0.5
111.08135	1.4
116.76836	0.6
121.10220	16.2
123.07124	0.6
123.08086	0.9
125.09701	7.8
147.08084	1.0
161.82718	0.6
185.11810	11.3
197.11868	3.9
205.80679	0.7
209.11800	0.9
211.13353	1.0
223.13402	0.9
247.20822	0.8
261.97849	0.7
273.18384	1.0
291.19681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
57.41076	1.0
59.01372	7.1
61.98826	1.2
94.17715	1.2
99.08132	15.4
116.92802	1.2
117.25960	1.1
117.53034	1.4
121.02943	2.0
125.09723	6.7
177.64059	1.3
183.74333	1.2
204.06017	1.3
207.13908	1.7
271.25470	1.4
284.67102	1.2
291.19684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.197
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.63959	0.3
53.89809	0.3
59.01371	0.5
59.53848	0.4
61.98835	0.4
66.99493	0.4
73.02943	65.4
85.99130	0.4
121.02898	0.4
127.61367	0.5
141.40651	0.4
152.06812	0.4
156.32640	0.4
166.41393	0.4
209.04686	0.5
215.20172	0.4
289.30438	0.4
291.19684	100.0
292.02896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1403
Annotation	CHEBI:43892
Peak:m/z	Relative Intensity
59.01378	0.9
71.01367	1.0
73.02943	1.9
85.02918	0.3
88.01617	0.2
88.04027	0.4
89.02425	0.2
92.65809	0.2
101.02431	4.1
110.09740	0.8
113.02421	0.4
115.07632	0.7
115.91973	0.2
116.92111	0.4
117.01945	0.2
130.08722	100.0
161.04575	0.4
171.83723	0.2
172.09814	1.0
202.09196	0.4
202.10838	3.7
214.10820	0.3
217.48468	0.2
273.21475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	1.3
59.01380	0.2
63.62019	0.1
64.28895	0.1
77.08443	0.1
87.37214	0.1
103.04343	0.1
106.23542	0.1
112.26314	0.1
138.12849	0.1
156.13937	100.0
157.14293	0.7
164.64964	0.1
200.12941	2.4
292.19217	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94675	0.2
58.02971	1.4
59.01373	1.7
68.99559	0.4
71.61000	0.3
75.51779	0.3
75.80155	0.3
79.41718	0.2
79.65374	0.2
81.70220	0.3
84.78241	0.3
116.13017	0.3
120.04546	0.3
156.13928	100.0
157.14279	0.6
200.12883	4.8
266.35498	0.3
287.68707	0.3
292.19177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20366	0.6
55.01892	0.8
59.01386	57.8
63.05999	0.6
65.63937	0.6
71.00991	0.9
71.01381	24.5
72.99297	0.8
73.02952	0.7
75.99414	0.6
78.15177	0.7
82.89431	0.6
83.01395	1.4
85.02965	5.7
85.06588	19.6
85.07107	0.9
89.02437	23.4
95.01383	3.0
100.00397	0.8
101.02444	15.8
113.02441	8.1
113.06097	5.6
114.38820	0.8
115.07648	3.1
119.03506	7.4
127.05156	0.8
127.07610	1.4
128.03548	4.4
131.07135	69.0
133.43687	0.7
147.04526	1.5
148.06311	1.1
164.07188	4.5
247.94751	0.8
293.12476	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82804	0.7
55.01880	1.5
56.41806	0.6
58.00614	1.0
59.01384	57.3
60.10365	0.5
62.92613	0.6
67.69051	0.7
71.01379	19.8
72.99280	1.1
73.02950	1.1
83.01371	1.6
85.02950	7.0
85.06586	19.5
88.61050	0.7
89.02439	19.8
92.12283	1.5
95.01375	1.7
98.42721	0.7
100.00380	3.6
101.02425	17.2
113.02444	9.9
113.06078	5.0
115.07615	4.1
119.03490	10.7
125.39915	0.8
127.07629	1.7
131.07129	65.3
144.02963	0.8
148.06281	4.2
149.04619	0.7
166.32756	0.7
173.08255	1.1
179.05640	0.8
235.14891	0.8
293.12445	100.0
307.62085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61843	0.6
54.82532	0.7
56.15177	0.6
57.03446	0.8
58.00594	1.3
58.54730	0.6
59.01385	54.7
71.01380	23.7
72.00921	0.6
72.63667	0.6
72.99290	1.1
73.02937	0.8
83.01373	2.8
85.02935	7.7
85.06587	24.2
89.02442	22.3
92.12379	0.9
95.01368	1.0
100.00417	7.2
101.02440	14.4
113.02435	8.9
113.06093	6.5
115.07624	3.2
119.03487	7.8
127.07635	2.4
131.07137	65.9
144.03004	2.4
148.06303	8.0
173.08182	1.5
175.56676	0.7
220.75050	0.7
271.66644	0.7
293.12473	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	293.1761
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
51.52069	0.6
59.01203	0.5
59.01388	7.8
59.37420	0.6
61.98846	0.8
63.51911	0.6
67.80830	0.7
67.97443	0.7
68.99581	5.0
71.01350	0.9
77.68981	0.7
99.90810	0.8
112.98565	5.2
116.62013	0.8
116.92844	1.7
120.04508	1.3
121.02953	8.9
122.03710	5.0
136.05293	2.7
168.04280	1.4
195.13838	1.6
205.12265	1.1
209.15450	1.1
220.14661	3.4
221.15492	6.0
223.17035	15.8
231.17542	1.1
233.15553	1.6
235.16893	5.2
236.10472	1.8
247.16995	1.2
249.18593	20.4
275.16531	22.7
275.20187	19.2
293.17596	100.0
293.21222	48.6
294.17853	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.67454	0.9
59.01374	4.5
60.41064	0.9
62.47471	0.8
63.36259	0.9
63.86366	0.9
71.01379	1.3
71.17413	0.9
109.06602	1.3
121.10233	7.6
145.67769	1.0
155.10760	1.3
171.10248	13.6
183.10341	7.2
183.13872	28.1
191.14456	1.2
199.27547	1.2
211.13368	5.2
231.21230	2.2
235.17039	17.0
275.20169	54.5
293.21234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47548	0.5
54.82762	0.6
57.03432	3.4
57.63048	0.6
58.28942	0.7
59.01381	5.1
60.16299	0.6
60.91425	0.6
61.98829	0.9
65.93082	0.6
68.99590	2.3
70.01328	0.6
71.01389	0.7
80.69897	0.6
83.04984	0.6
89.02436	0.8
96.96006	9.8
112.98551	3.6
113.02457	0.7
113.09731	10.9
120.04518	2.6
132.31700	0.9
139.11282	3.5
179.10774	1.1
191.06213	0.7
191.18082	0.9
195.13853	1.3
220.14688	1.7
221.15485	4.3
236.10529	3.4
247.20528	1.1
249.22314	1.2
293.17999	7.9
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	293.2123
Annotation	12-OPDA
Peak:m/z	Relative Intensity
54.82611	0.5
59.01385	1.1
71.03426	0.6
84.69334	0.6
92.12405	1.3
92.65200	0.8
124.49348	0.5
179.14407	1.0
189.94069	0.6
195.13908	13.3
196.14685	0.7
210.84721	0.6
214.30656	0.7
223.13428	10.7
228.13632	1.0
256.13165	5.3
275.20190	10.7
276.63596	0.7
293.21252	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	6.1
58.84672	0.5
59.01381	3.1
61.69575	0.5
62.02314	0.5
71.92312	0.6
84.03013	0.5
86.00971	0.5
89.34048	0.5
96.95995	8.0
97.06554	0.8
113.09714	26.4
121.10175	0.8
132.86281	0.6
139.11292	1.1
167.10756	3.1
171.10260	2.9
179.10768	1.4
191.48483	0.7
195.13933	4.5
249.22079	2.5
275.20172	4.2
293.18103	5.7
293.21234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.0
65.57074	0.4
81.58105	0.5
91.72453	0.4
96.95411	0.8
96.96001	15.3
97.06559	0.9
123.08168	0.5
125.09695	4.8
141.12813	1.1
144.59442	0.5
148.06056	0.5
149.09705	2.1
183.13985	0.5
185.11818	11.9
190.07657	0.5
197.11850	2.5
249.22205	0.8
258.34186	0.5
275.20013	0.9
293.17993	10.1
293.21188	100.0
294.21365	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11806	0.3
54.82664	0.5
57.03447	0.6
59.01361	1.0
68.99561	0.6
70.31120	0.4
73.98418	0.4
83.38470	0.4
92.12345	0.5
96.78402	0.4
96.96009	3.6
97.06573	1.0
100.34753	0.5
112.98594	0.6
114.47990	0.4
115.35669	0.4
120.04568	0.5
123.08195	0.6
125.09690	3.9
125.99380	0.4
141.12926	0.6
149.09695	2.2
183.30504	0.5
185.11807	9.5
192.31320	0.4
197.11748	2.9
220.14549	0.4
221.15489	0.7
233.34685	0.4
236.10590	0.7
236.63188	0.4
275.20166	0.7
293.21225	100.0
294.21497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.7
59.01378	5.0
63.22850	0.9
65.04017	0.9
68.99551	0.9
70.11918	0.8
71.05008	4.1
90.87979	1.0
92.11729	1.8
96.95998	31.9
114.13308	1.0
119.22975	0.8
141.40001	0.9
160.43504	0.8
194.44310	1.0
209.15550	1.7
221.15607	3.4
223.17078	5.5
231.21188	3.6
235.17035	55.2
251.46848	0.9
261.32831	0.9
268.77478	1.1
275.20184	52.3
293.17929	25.5
293.21246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.9
67.36743	1.0
68.99567	12.1
71.01389	1.3
89.02399	1.6
99.80466	1.0
112.98540	8.2
114.20078	1.0
120.04520	1.8
131.39330	1.0
169.12267	3.8
197.11818	38.7
219.87624	1.0
220.14706	4.3
221.15517	5.1
236.10495	2.5
249.18581	1.5
275.20181	36.8
293.21231	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39606	0.9
55.89479	0.8
57.15874	0.8
59.01387	11.7
64.34228	1.0
68.99573	11.0
70.29671	1.1
71.01371	1.5
86.98174	1.1
89.02414	3.8
91.19859	1.0
94.72823	1.1
96.79199	1.1
110.74022	0.9
111.97363	1.0
112.98552	10.5
116.92840	1.3
120.04552	5.6
125.30445	1.1
164.03438	1.1
193.15939	1.5
209.15474	100.0
220.14766	4.6
221.15509	7.2
231.21136	6.1
236.10411	1.4
236.22221	1.0
254.95435	1.2
275.20154	84.1
293.21225	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2488
Annotation	9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester
Peak:m/z	Relative Intensity
59.01384	1.7
61.98827	0.5
62.66555	0.2
66.94554	0.2
68.99554	1.3
71.01376	0.4
91.16156	0.3
96.96005	0.7
97.35043	0.3
105.63455	0.3
112.42693	0.3
112.98548	1.3
184.92067	0.3
192.11606	0.5
220.14726	2.6
221.15498	4.9
236.10522	3.1
293.24866	100.0
294.25201	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0822
Annotation	Phellodenol F
Peak:m/z	Relative Intensity
57.03452	4.6
59.01385	44.3
68.20205	2.5
72.86536	2.5
73.02903	2.7
83.05017	2.6
85.24574	2.1
87.00858	3.2
92.11743	5.4
96.96004	26.0
99.92616	2.5
101.02433	2.5
111.00876	4.5
112.36810	2.3
114.37983	3.1
116.92855	34.1
119.05023	13.3
121.06574	3.7
123.00849	3.8
131.04996	3.1
135.04532	3.6
137.02466	5.2
138.03238	3.2
139.00328	6.0
147.04512	28.1
149.02473	3.3
159.04500	4.9
161.02414	4.0
163.03998	6.2
165.05588	3.1
175.04018	17.9
177.01907	16.5
177.05576	5.8
180.51057	2.6
189.01970	2.5
191.03424	25.4
192.04329	17.4
193.04979	5.7
203.03484	63.7
207.06650	12.6
219.02972	3.0
221.04628	5.9
232.03821	3.8
235.06151	14.2
247.02475	56.2
262.04819	98.7
265.03558	27.9
268.65030	3.4
270.14197	3.0
277.07181	100.0
280.05862	56.6
295.08249	93.7
295.15527	5.0
295.22775	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	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66086	0.6
54.82932	0.7
55.01889	1.0
57.03453	1.0
58.00616	1.2
58.77700	0.7
59.01394	100.0
63.99408	0.7
71.01389	49.0
71.18554	0.7
72.99307	1.8
73.02943	3.4
75.00864	1.1
83.01386	1.7
85.02946	10.8
89.02442	46.2
95.01398	2.0
99.04532	1.0
101.02450	24.5
102.10850	0.8
113.02457	16.5
115.00365	17.1
115.03999	0.9
119.03485	19.5
128.03561	0.8
133.01447	3.5
133.05115	1.1
143.03568	0.9
161.04552	3.4
179.05621	1.4
234.14209	1.0
262.88123	0.8
295.10355	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.1
58.00594	3.5
59.01383	100.0
61.88001	0.7
62.93557	0.7
71.01378	39.5
71.31215	0.9
72.99303	1.7
73.02934	1.0
83.01378	3.5
85.02948	10.4
87.00883	1.2
89.02433	42.7
95.01377	1.3
101.02435	23.0
113.02448	12.8
115.00375	4.2
119.03489	17.3
119.69276	0.8
161.04506	0.9
179.05544	1.4
179.86603	0.8
180.15750	0.8
220.79099	0.9
254.35269	0.9
295.10336	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	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03439	1.5
58.00600	2.1
59.01385	100.0
63.44915	0.9
68.74680	0.8
70.74655	0.8
71.01383	48.2
72.99278	3.5
75.00895	1.4
83.01385	2.2
85.02937	12.8
87.00869	2.3
89.02441	41.2
93.66879	1.0
95.01355	1.9
99.32299	1.0
101.02429	21.1
113.02440	15.2
115.00368	14.8
115.03978	1.4
119.03487	16.8
133.05045	5.7
161.04552	3.7
179.05624	2.4
235.08215	1.6
295.10355	93.2
298.31506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86549	0.8
57.11499	0.9
58.00566	1.9
59.01382	86.2
66.89265	0.7
71.01376	46.6
72.99292	1.2
73.02930	1.5
83.01369	1.1
85.02939	8.8
87.00878	1.1
89.02433	44.5
95.01366	2.1
101.02425	22.6
113.02451	10.8
115.00344	15.9
119.03471	19.4
133.01385	1.7
133.04996	2.0
179.05647	1.6
282.57208	1.0
295.10324	100.0
308.57870	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1915
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
50.93372	0.4
58.24264	0.4
58.59793	0.4
59.01388	9.5
60.35493	0.4
61.98817	0.5
62.83967	0.4
69.03449	0.5
78.57892	0.4
88.80495	0.5
94.03061	0.5
101.03745	0.5
111.04529	2.5
116.92844	0.6
123.04458	0.7
128.88039	0.5
137.09695	0.9
153.09256	0.5
166.09918	0.6
170.05649	0.5
194.09525	0.7
195.13914	0.9
207.17601	2.3
208.68034	0.6
233.19073	1.2
235.08308	0.9
251.16562	3.4
251.20174	46.7
277.18127	11.9
277.21292	0.9
295.19168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
51.93103	0.3
57.03444	0.4
59.01403	2.4
67.96902	0.4
78.04111	0.4
83.05007	0.4
113.09746	2.6
171.10316	0.4
181.12378	0.4
190.04758	0.3
195.13921	18.6
246.29347	0.4
277.21750	22.2
277.24811	0.8
295.22818	100.0
296.23288	0.5
307.20663	0.3
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	9(S)-HODE
Peak:m/z	Relative Intensity
54.82623	1.1
57.58796	0.9
59.01160	0.9
59.01381	15.2
61.98821	1.4
63.90725	1.0
69.35940	1.1
81.12052	1.0
96.96007	4.4
98.95576	11.1
98.96449	1.7
101.63719	1.0
114.93429	1.2
116.92843	1.8
119.05262	1.1
143.07101	11.8
144.36412	1.1
165.27222	1.0
171.10281	13.1
183.10258	2.4
195.13878	4.2
246.21115	1.2
251.06047	8.7
252.75952	1.2
277.21704	31.0
279.09167	9.2
295.17795	12.9
295.22784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95810	0.3
56.10729	0.4
57.03445	1.7
59.01399	5.7
61.98791	0.5
65.91312	0.4
78.01775	0.4
84.20394	0.5
92.12359	0.5
113.09717	4.9
116.92850	0.7
130.68654	0.4
179.14409	2.1
181.12442	0.9
199.12556	0.5
248.16275	0.4
251.23726	0.7
277.21756	1.8
295.22784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83026	1.3
60.15004	1.0
62.30127	1.1
64.06206	1.1
80.39529	1.2
113.09715	1.5
179.14215	1.6
183.13860	2.4
194.98877	1.3
195.13924	23.0
242.84796	1.4
277.21768	22.6
295.22794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53071	0.7
59.01382	1.5
59.75566	0.7
76.74094	0.8
101.68029	0.8
121.30830	0.9
125.09713	1.7
146.66963	0.9
155.14391	1.1
163.49139	0.9
171.08788	1.9
171.10277	42.2
183.10298	2.2
195.13930	5.1
234.47237	1.0
248.82315	1.0
277.19391	1.1
277.21716	56.7
295.22794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
55.01887	0.5
55.09209	0.3
55.23856	0.3
59.01391	2.6
59.01608	0.3
61.98804	0.3
71.35774	0.4
72.99291	0.5
83.04980	0.6
116.92893	0.4
127.11299	1.3
130.67343	0.4
141.12862	8.9
155.14403	4.2
211.20741	0.6
223.12822	0.4
247.20876	0.5
249.22224	12.1
257.21289	1.4
277.21625	0.6
295.22787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
53.26642	0.4
59.01391	1.5
59.30975	0.4
59.99628	0.4
60.51717	0.3
75.22926	0.4
81.66368	0.4
84.28342	0.4
90.08043	0.4
93.67621	0.4
120.52471	0.4
125.09712	0.5
141.12872	0.9
153.12843	0.4
167.14468	0.6
169.12314	3.2
197.11852	2.0
200.77940	0.5
251.23747	1.0
259.20572	0.5
263.58286	0.5
277.21741	10.8
295.22797	100.0
296.23129	0.8
312.72855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2642
Annotation	Phytomonic Acid
Peak:m/z	Relative Intensity
56.93018	0.4
59.01389	1.0
60.41904	0.4
70.64293	0.5
80.55677	0.5
108.70630	0.4
133.55475	0.5
145.34123	0.4
148.33284	0.4
227.62328	0.5
280.10889	0.5
295.26413	100.0
296.26801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2643
Annotation	Phytomonic Acid
Peak:m/z	Relative Intensity
59.01392	1.2
62.73899	0.3
63.63786	0.3
84.90728	0.3
120.60332	0.3
295.26419	100.0
296.26843	0.8
297.37811	0.4
311.83905	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0824
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
51.40435	0.1
54.29489	0.1
58.73086	0.1
59.01371	0.8
61.98832	0.2
65.01463	0.2
74.14688	0.1
92.02530	1.8
107.03636	7.7
107.46798	0.1
133.62772	0.1
134.04723	100.0
135.05092	0.3
169.01375	0.1
176.66853	0.1
202.93965	0.1
296.08243	2.9
296.23544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18902	2.2
54.83015	2.0
55.01889	3.4
57.03458	4.8
59.01106	4.0
59.01393	100.0
68.85259	2.0
69.03477	4.3
71.01394	61.3
73.02610	2.6
73.02952	23.6
78.12483	2.1
83.01402	3.2
85.02979	20.9
89.02464	5.5
96.95996	16.0
97.02971	5.4
99.00831	2.3
101.02445	94.7
111.96468	2.0
113.02453	4.7
114.78621	2.0
115.02793	2.1
115.04019	12.5
116.92863	4.7
118.22044	2.0
142.21277	2.4
161.04549	3.1
161.65544	2.2
163.06129	86.2
245.42142	2.6
279.15903	2.3
297.10135	8.6
297.13504	14.7
297.24399	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	297.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71589	2.1
51.26948	2.6
55.01883	6.3
57.03455	12.7
59.01389	87.0
60.17931	2.3
69.03466	4.7
71.01382	68.8
72.99316	3.9
73.02943	23.5
83.01384	3.8
83.05010	21.5
85.02946	30.0
87.18978	2.5
96.95990	28.3
97.02933	12.1
101.02421	100.0
107.19288	2.6
113.02434	16.0
114.05578	2.9
116.92861	13.4
122.03808	3.1
131.03513	3.6
133.06635	2.7
161.04561	3.3
163.06113	64.4
173.08517	3.2
194.11862	4.7
217.53079	3.2
237.16115	6.3
297.10150	17.3
297.13477	45.3
297.16595	5.0
297.24316	5.2
304.46832	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	297.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50784	1.0
53.53544	0.9
57.03449	2.5
59.01385	100.0
67.71675	0.9
71.01389	1.9
73.02955	2.2
75.00876	1.1
85.02946	8.5
96.96019	1.6
109.02972	1.5
121.02929	1.2
121.91350	1.4
125.06056	1.3
147.08133	1.2
151.07628	2.1
161.09714	2.8
165.09204	35.1
166.02599	1.3
177.09225	4.8
179.10751	1.7
181.89644	1.1
189.09093	1.7
201.09268	6.0
207.10257	17.3
219.03011	2.6
219.10240	11.1
234.05344	4.2
237.11343	23.1
249.07698	2.2
279.08774	1.7
297.09940	2.3
297.13483	5.9
297.24411	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1861
Annotation	5,6-Dehydrosugiol
Peak:m/z	Relative Intensity
50.30471	0.7
51.93129	0.6
53.03487	0.6
54.82726	0.7
59.01385	4.1
75.00854	1.4
116.92848	15.5
121.06581	100.0
163.11281	92.4
183.01181	4.2
261.65955	1.0
275.87863	1.0
297.15302	6.7
297.18576	61.4
297.24136	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
78.05099	0.2
80.34314	0.3
99.11601	0.3
119.30653	0.3
228.96970	0.3
251.23817	1.8
275.92603	0.3
279.23260	1.2
295.22754	0.6
297.24344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
51.82862	0.4
59.01378	1.1
65.06062	0.4
75.92257	0.4
84.56530	0.5
116.92851	5.1
141.12859	2.1
155.10776	13.1
183.01228	1.2
228.58180	0.5
234.28575	0.5
245.49617	0.5
250.04245	0.5
261.22223	0.6
279.23285	16.7
289.48636	0.5
295.22812	1.1
296.23172	1.0
297.15225	2.5
297.24365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2436
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
59.01382	1.6
61.98857	0.5
71.74475	0.4
110.42178	0.4
116.92863	4.6
123.78917	0.4
139.11256	0.6
153.70137	0.4
155.14497	0.7
183.01218	0.9
183.13806	0.5
199.13412	2.5
219.80901	0.4
225.22269	0.5
253.25372	1.8
279.23294	4.7
295.22998	0.7
297.15289	2.3
297.24377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2436
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
77.97512	0.5
84.77967	0.5
98.98309	0.5
116.92890	1.6
155.10800	2.6
171.10265	4.5
180.15726	0.4
185.28676	0.5
279.23297	9.4
297.24356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97036	0.4
54.78082	0.5
59.01368	1.2
76.16351	0.6
84.21831	0.5
90.40604	0.5
92.11774	0.9
108.70399	0.6
113.72194	0.6
116.92854	1.1
183.13890	44.1
194.00861	0.6
279.23257	9.4
297.15274	2.6
297.24356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2798
Annotation	Pristanic acid
Peak:m/z	Relative Intensity
51.71410	0.4
54.89471	0.4
57.27922	0.4
57.56225	0.4
59.01385	0.6
61.91045	0.5
62.21977	0.5
68.07770	0.4
73.02974	0.5
80.04362	0.5
85.21893	0.4
116.92854	4.8
123.11933	0.6
152.18753	0.5
183.01254	3.1
296.26547	0.6
297.15378	3.8
297.27982	100.0
298.28281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0563
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.31755	0.8
57.86971	0.7
59.01361	2.3
80.17741	0.8
96.95994	1.7
107.01382	1.1
151.00317	4.5
163.62704	1.0
200.05029	1.0
210.65692	1.0
227.03564	2.4
255.02960	1.4
256.03772	29.0
284.03271	100.0
299.05612	50.7
299.09152	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	299.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	17.4
63.31332	1.7
64.49015	1.7
65.03967	82.3
69.65900	1.9
70.87035	1.7
76.89601	1.9
81.03451	13.7
83.05017	100.0
96.95989	8.2
97.90271	2.1
124.69389	2.1
125.76045	2.1
127.03988	28.6
170.03101	2.1
171.10307	22.6
221.04677	2.0
231.30687	2.1
255.16058	4.2
299.14975	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	299.1501
Annotation	Ficusolide diacetate
Peak:m/z	Relative Intensity
51.71766	0.2
51.83380	0.2
59.01385	100.0
64.34829	0.3
71.38893	0.3
74.99094	0.4
75.00864	0.2
82.95408	0.3
96.95995	3.0
137.09688	0.3
161.09726	0.5
175.11263	0.3
177.09256	0.4
179.10991	0.3
217.00339	1.5
221.11896	1.3
239.13037	1.1
252.41792	0.3
299.08279	0.5
299.15051	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2018
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
52.92905	0.2
57.53758	0.2
59.01111	0.3
59.01386	6.8
63.02667	0.2
91.09364	0.2
97.04569	0.3
116.92861	1.7
143.82716	0.3
174.99261	2.0
201.32722	0.2
217.00334	4.6
298.24701	0.3
299.20184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2592
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
65.50928	0.6
73.16823	0.7
78.46583	0.6
92.12278	0.7
93.91063	0.6
225.22307	1.2
249.22284	0.7
251.23785	4.3
253.25377	78.1
277.50833	0.7
278.96057	0.7
281.24857	2.4
299.25931	100.0
306.09174	0.6
307.89679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.2
68.70532	1.2
70.05138	1.0
71.01380	13.3
71.05018	17.7
72.37551	1.3
74.99099	1.4
78.95899	1.6
80.91668	2.5
88.04037	100.0
89.04002	1.2
95.85973	1.3
96.95998	1.9
99.04527	8.8
99.92579	2.0
114.05640	3.1
116.07208	1.8
120.01249	2.6
120.99597	1.8
138.01717	17.8
146.08235	49.8
146.09346	2.4
149.02376	1.6
162.14871	1.3
166.01233	1.4
182.08073	1.4
210.06248	1.4
218.10349	73.4
240.08531	18.0
273.29153	1.3
284.27124	1.3
300.10355	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	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82468	0.5
56.70156	0.5
59.01386	6.1
59.60162	0.5
61.78359	0.7
61.98802	0.9
67.05881	0.5
72.84862	0.6
85.78973	0.6
93.03440	1.4
94.03801	0.8
96.96008	0.8
105.86771	0.6
123.03250	13.0
130.08755	0.6
137.02454	3.6
137.04831	1.3
138.05600	100.0
180.06685	2.6
196.97697	0.7
218.00665	2.6
275.63617	0.6
300.10999	5.9
300.98843	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60521	0.5
59.01382	98.4
64.35008	0.5
74.02771	0.5
78.82252	0.5
87.31190	0.6
115.02493	9.0
116.98576	0.6
117.00436	16.6
153.85959	0.8
157.03534	1.4
159.01482	100.0
201.02553	24.7
201.79520	0.7
207.16000	0.7
217.00557	1.3
259.01578	3.9
283.01501	0.7
301.02670	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15163	0.2
59.01390	1.0
61.98820	0.2
62.17458	0.2
69.46799	0.2
70.24860	0.2
72.00912	0.3
73.04063	0.8
74.02460	0.5
75.00880	0.3
78.95902	56.5
84.25747	0.2
87.00880	0.2
94.32361	0.2
96.96076	4.4
96.96955	100.0
113.92606	1.5
114.05640	0.5
116.05067	1.9
117.05441	0.2
120.99684	0.4
137.02405	0.2
142.06599	0.4
145.97992	0.2
158.81932	0.2
159.09291	0.3
164.07246	0.2
180.66100	0.2
196.97705	0.2
203.08281	2.9
204.08659	0.4
205.08920	0.2
241.03841	0.3
265.11920	0.9
266.21774	0.2
284.69928	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0719
Annotation	Gnetifolin A
Peak:m/z	Relative Intensity
58.02966	0.6
59.01392	6.5
59.28909	0.4
90.44931	0.4
114.02749	0.4
121.02956	0.9
136.01675	0.9
149.02435	3.2
161.04778	2.9
171.04561	3.5
173.06139	0.6
187.04001	4.7
193.03790	2.2
193.64568	0.4
197.12990	0.9
199.04005	3.9
201.05583	2.0
210.03265	0.6
211.04015	2.5
212.04829	10.9
215.03502	18.1
227.03528	6.9
229.05066	3.4
230.05937	0.7
238.02722	0.7
239.03494	17.0
240.04268	6.8
241.05028	0.8
242.02220	1.7
243.02966	20.3
246.07472	0.5
253.05257	1.4
254.02187	4.1
255.02977	1.1
256.03738	0.8
257.04547	16.8
257.15210	0.8
258.05261	2.4
267.02921	4.5
268.03787	8.8
269.04562	29.0
270.01779	0.8
271.02463	10.7
283.10901	2.1
285.04050	50.1
286.04831	65.4
287.05304	0.6
301.07187	100.0
302.07526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0718
Annotation	Gnetifolin A
Peak:m/z	Relative Intensity
56.93887	0.7
59.01363	1.9
68.80670	0.7
70.92662	0.7
72.88865	0.7
97.83552	0.7
126.61288	0.8
166.81462	0.8
171.04518	1.4
183.04245	0.9
187.03998	4.1
199.04012	4.0
201.05566	1.8
211.04025	1.9
212.04765	8.7
215.03516	20.4
227.03371	7.7
229.05051	4.1
233.04501	1.1
239.03490	16.6
240.04344	7.9
242.02193	0.9
243.02969	24.3
254.02211	5.2
254.93724	1.0
255.03178	1.5
257.04544	18.6
258.05222	4.2
267.02975	5.0
268.03775	6.9
269.04562	27.7
271.02499	10.3
285.00912	1.9
285.04053	57.3
286.04816	66.2
301.07184	100.0
301.20392	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	301.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12533	0.6
57.03469	0.6
58.76988	0.8
59.01389	100.0
71.01408	0.9
74.99152	0.8
87.51413	0.7
95.01389	1.1
99.00877	1.0
100.68336	0.8
105.46078	0.7
115.26867	0.9
116.92863	1.5
121.01374	0.8
123.00896	6.9
125.03577	3.0
138.03220	4.7
139.03993	1.3
143.90504	0.8
151.05188	3.6
212.50679	0.9
241.08313	85.6
242.08562	1.1
274.91364	0.8
282.36377	1.0
302.07483	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40933	0.6
59.01383	3.2
69.03438	1.4
92.11736	2.5
97.39349	0.7
106.04250	0.9
121.02888	1.8
133.02948	10.9
134.03729	100.0
136.85400	0.8
137.02438	17.9
139.03970	6.4
149.06084	22.4
150.03197	1.8
160.01595	0.9
178.02711	63.4
181.96846	0.8
187.13469	1.1
193.05054	96.1
220.60265	0.9
274.67569	0.8
301.11014	5.7
301.20502	0.8
302.42331	0.8
323.59262	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.0
59.01385	100.0
60.01717	0.5
61.98835	8.6
69.03452	0.8
71.01398	0.7
73.02946	2.4
75.86510	0.4
75.88448	0.4
79.95751	1.9
82.97102	0.4
83.05067	0.6
85.02985	0.5
95.01366	0.6
96.00935	0.6
97.06578	0.9
113.06086	2.2
121.51012	0.4
123.08140	0.6
124.01680	2.0
125.06046	0.5
125.09763	1.7
137.06076	0.4
137.09737	2.8
143.00252	0.5
148.99274	0.4
151.11354	0.7
153.12904	2.1
158.99756	0.6
163.11287	0.9
170.96165	0.9
175.11324	0.7
177.12914	1.7
181.12369	0.9
186.11406	1.1
193.12424	0.7
197.11855	3.2
205.12378	1.0
211.13408	5.4
221.08299	2.3
241.14470	32.9
244.29845	0.5
300.99121	0.6
301.03925	6.7
301.07086	0.8
301.13718	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	301.1663
Annotation	Viridamine
Peak:m/z	Relative Intensity
51.77507	0.2
51.86127	0.2
54.82896	0.3
59.01371	0.6
59.68935	0.3
60.97477	0.3
61.98830	0.4
63.68120	0.2
64.35031	0.3
66.54475	0.2
71.62094	0.3
74.99044	0.6
86.43861	0.3
101.77840	0.2
115.66148	0.3
118.96195	0.3
134.99388	7.3
136.97318	3.7
139.34094	0.3
141.07449	0.3
150.98932	0.5
159.08463	2.5
161.06384	7.3
180.36580	0.3
201.04068	0.5
203.05672	4.1
205.03586	0.6
215.05638	1.0
217.07219	98.4
218.07288	1.6
219.97716	0.3
235.08284	1.0
261.06104	0.6
283.12021	0.6
283.15936	0.3
285.13486	42.8
286.13654	1.1
301.16620	100.0
302.16699	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	301.2173
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
52.76283	0.3
55.31608	0.2
57.68271	0.2
59.01382	0.5
71.90150	0.3
133.01224	0.3
158.27000	0.3
182.93289	0.3
235.77800	0.3
301.21744	100.0
302.22012	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11115	0.2
59.01384	1.7
60.09556	0.2
61.98832	100.0
76.71302	0.2
77.27157	0.2
100.16105	0.3
102.71682	0.2
108.44711	0.2
111.27360	0.2
112.72805	0.2
140.07245	1.0
142.07077	0.2
145.88989	0.2
182.07967	0.2
186.10481	0.2
245.51501	0.2
269.76144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82663	0.4
59.01385	0.8
60.54009	0.4
61.98835	2.8
63.79329	0.3
64.15752	0.4
64.85912	0.4
66.88284	0.3
76.05906	0.4
76.57359	0.4
83.21170	0.3
84.04541	100.0
96.04538	0.8
99.06575	0.4
166.12357	55.4
167.12642	0.5
210.11414	0.9
211.54060	0.4
219.97903	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04324	0.1
54.07064	0.1
57.03440	0.2
59.01383	5.4
61.98820	0.1
69.20106	0.2
71.01349	0.2
71.05021	0.2
75.00822	0.2
78.38622	0.1
79.95724	1.5
83.01366	0.2
87.04237	0.2
96.95999	100.0
103.92003	0.2
116.92860	0.3
118.28773	0.2
123.94629	0.2
134.03764	0.2
139.69670	0.2
154.50294	0.2
171.10237	0.6
185.11790	0.2
191.75827	0.1
198.28314	0.2
243.16119	0.3
267.08734	0.6
303.09076	26.4
303.14627	0.9
303.17789	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82523	0.2
59.01392	1.2
61.98838	0.8
67.15334	0.1
72.00928	0.2
72.04532	0.2
74.02454	0.3
79.38425	0.2
79.95742	1.0
87.04500	0.3
95.88825	0.2
96.96007	100.0
98.02467	1.9
101.02438	0.3
116.05084	1.2
121.22784	0.2
123.26831	0.2
125.09711	0.2
142.06645	0.2
159.73129	0.2
185.11859	0.4
197.10965	0.3
201.11353	0.3
203.08298	1.9
223.08864	0.8
285.08807	1.1
286.97318	0.2
303.09106	25.6
303.14716	0.9
304.08890	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1464
Annotation	Urechitol B
Peak:m/z	Relative Intensity
54.38149	1.7
59.01105	2.2
59.01385	52.2
61.54523	2.1
61.98820	4.5
64.35092	2.2
68.90591	1.7
71.01363	2.6
87.00854	2.1
87.92511	2.4
96.95999	8.6
101.02432	4.4
103.92007	9.8
113.79219	2.0
121.02872	3.3
134.03737	50.2
135.04501	8.1
145.02856	2.6
145.96700	3.8
146.65268	2.1
149.06070	41.8
159.04497	3.8
161.02409	12.7
162.03212	4.2
173.06020	4.0
174.06892	3.5
176.03549	17.3
177.04309	38.2
186.06898	2.4
187.07614	3.6
192.06676	31.9
194.02264	2.6
199.94133	2.4
202.05074	9.5
216.06590	20.5
217.07352	2.6
230.08240	9.5
236.01151	2.0
245.11726	2.1
246.09952	2.8
261.12424	9.8
271.90344	2.1
288.12320	13.0
303.14624	100.0
303.17963	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	303.2179
Annotation	9,10,16-trihydroxy palmitic acid
Peak:m/z	Relative Intensity
54.82833	1.4
57.03448	2.0
59.01381	8.5
62.38478	1.3
73.02943	1.6
76.80128	1.8
81.54708	1.5
82.80585	1.7
83.95079	1.5
85.06567	2.9
87.04503	8.9
88.13380	1.6
100.27087	1.7
119.43247	1.6
127.11261	2.2
145.96732	2.5
171.13872	1.6
178.95366	2.0
199.16995	3.5
225.94783	1.6
230.02249	3.1
243.06276	2.1
243.19698	2.0
268.65366	1.9
273.04095	6.8
283.48145	2.0
285.20813	14.8
303.08551	2.9
303.21780	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	303.2331
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
51.34141	1.4
53.50722	1.3
56.83621	1.4
59.01373	3.1
59.98526	2.4
61.96911	1.4
61.98824	1.5
62.32617	1.5
66.27790	1.3
67.62319	1.3
99.04514	2.1
103.31382	1.8
116.92802	3.3
159.36911	1.7
207.87144	1.7
303.23291	100.0
304.23639	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	305.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00694	0.3
56.94289	0.3
59.01390	48.2
61.98842	3.4
71.01373	0.6
74.02467	2.8
79.95715	2.9
81.03460	0.4
85.02946	0.4
89.02430	0.4
96.96001	100.0
97.06587	1.3
98.02435	0.5
100.20375	0.3
116.03530	0.6
121.02921	2.9
125.06019	0.5
127.37603	0.3
132.04562	1.7
135.08167	0.4
143.04620	0.4
143.07147	0.8
147.08154	1.3
152.23981	0.4
157.08879	0.4
163.13345	0.3
169.75215	0.3
209.04607	1.7
225.09119	0.8
225.11319	22.9
242.65810	0.3
261.08813	0.5
274.43793	0.3
305.07065	57.2
305.10471	2.7
306.07489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.176
Annotation	Corrin
Peak:m/z	Relative Intensity
55.01880	1.2
57.03456	4.0
59.01110	0.6
59.01384	14.2
65.03967	4.6
66.98193	0.5
69.03462	0.5
71.01366	0.6
71.05012	12.0
78.42963	0.5
79.05523	18.5
83.05012	1.3
93.03458	4.7
93.07142	0.7
95.04993	3.2
97.05937	0.8
97.06577	21.3
104.68941	0.6
106.04230	12.3
107.05022	4.3
109.06582	3.5
117.07083	0.8
120.05798	7.4
121.06595	6.0
123.08160	7.5
125.09705	14.4
133.06551	1.3
135.08153	100.0
137.09700	5.1
137.44061	0.6
151.11296	2.4
160.20140	0.6
162.06798	0.8
163.11273	2.3
171.10281	0.6
177.12863	0.8
183.10255	1.4
185.11800	2.3
189.12830	3.0
197.08101	0.6
205.15971	7.4
207.10284	3.0
209.11856	1.2
231.13831	1.1
233.11896	1.9
242.47983	0.6
249.14955	48.6
263.16550	2.3
287.16641	6.2
305.17596	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	17.0
59.01395	8.3
61.98837	11.5
63.37007	0.9
71.01357	2.1
72.00876	1.5
74.02468	33.7
82.02969	5.2
84.04516	1.5
86.02481	9.1
86.06124	1.9
86.99109	2.6
87.05648	17.5
87.59502	1.1
90.00172	2.2
92.11825	1.3
97.04050	2.5
99.05642	30.9
101.07196	5.4
102.05617	5.4
109.04048	5.1
111.05632	2.1
112.04041	5.0
116.01770	1.6
117.92037	1.3
121.96548	1.2
123.05628	2.7
125.03523	1.2
126.01946	1.5
127.05140	5.7
128.03539	71.7
130.08740	1.3
131.04619	2.1
135.05638	7.6
141.06714	9.1
143.04631	100.0
145.06197	2.6
146.04602	5.8
153.06721	7.6
155.08224	1.2
160.00732	19.8
167.04622	6.3
177.03363	6.5
179.04611	16.9
181.06137	2.4
185.05635	1.5
197.05621	2.1
198.08841	1.8
210.08910	16.4
242.07797	1.3
254.07809	24.1
272.08893	29.0
288.06613	6.4
306.07697	48.1
320.28860	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23763	1.1
53.37682	1.1
58.02977	15.9
59.01377	2.2
61.98823	7.8
66.03482	1.4
70.02963	1.3
70.79626	1.1
74.02466	33.0
82.02982	6.0
84.04526	2.4
86.02466	14.3
86.99089	2.7
87.05629	15.9
89.54263	1.1
90.00205	4.7
97.04061	5.1
97.28024	1.6
99.05634	33.1
101.07187	5.2
102.05584	2.4
109.04056	2.9
111.05704	1.3
112.04049	3.1
116.01726	1.4
121.29196	1.2
123.05648	4.9
124.04015	1.7
125.03558	1.6
127.05125	8.0
128.03522	67.9
131.04559	1.4
135.05650	6.5
141.06706	12.9
143.04619	100.0
145.06192	3.0
146.04607	7.8
153.06667	3.0
157.95361	1.8
159.89481	1.3
160.00725	19.8
166.09811	2.4
167.04628	9.3
167.08257	1.7
177.03371	7.9
179.04631	11.9
185.05791	1.6
210.08868	15.8
228.09583	1.3
242.07756	2.0
254.07820	22.2
272.08865	32.1
275.26236	1.7
288.06653	7.7
306.07681	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0861
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
50.22656	0.7
57.03468	1.0
59.01392	83.6
60.01727	1.6
61.98850	2.8
71.01382	13.0
78.61431	0.7
79.95768	0.9
82.72655	0.7
85.02943	3.6
89.02444	7.8
96.96004	100.0
98.95593	1.1
101.02423	3.8
103.04015	1.6
113.02456	3.2
118.90573	0.8
119.03481	2.8
127.07643	4.9
142.76341	0.8
161.04594	1.6
167.10785	1.6
179.05637	0.9
227.12898	23.7
271.16785	1.0
307.08615	63.5
307.11581	2.3
308.08911	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.8
71.01366	1.4
85.06597	7.2
89.03976	1.3
96.96015	5.0
105.03441	0.8
113.06062	0.7
117.03446	8.6
117.04197	0.9
131.07133	18.0
132.02180	8.9
133.02943	8.7
134.03734	100.0
135.04471	1.1
137.02438	3.2
139.04071	1.0
145.02977	0.6
148.05270	6.3
149.06120	7.4
160.01660	47.4
161.02460	6.1
161.04755	0.8
161.06070	5.0
162.03220	0.9
175.04002	72.8
178.02713	1.0
193.05061	52.5
194.02267	0.9
204.11499	2.6
205.02776	0.7
307.11932	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
59.01382	54.1
62.54356	0.7
71.01374	21.7
73.02942	1.6
73.47018	0.9
83.01360	1.1
85.02940	4.3
87.00845	1.0
89.02428	20.3
95.01382	1.0
96.95993	4.7
98.95569	4.8
99.08138	23.3
101.02428	13.1
108.01321	0.8
113.02425	9.8
119.03490	8.3
122.78023	0.8
127.07629	6.0
129.09207	1.3
141.09178	3.3
145.08696	70.0
146.08990	1.1
161.36717	0.8
187.09741	1.7
253.41388	0.8
307.13989	100.0
308.14401	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	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.7
57.03434	0.6
58.00594	0.8
59.01389	85.0
71.01382	24.3
72.99287	1.0
73.02945	0.9
83.01363	3.2
85.02951	5.2
87.00854	1.2
89.02443	22.7
95.01376	1.2
96.95520	0.7
96.96000	12.0
98.95589	19.3
98.96399	2.8
99.07524	1.2
99.08148	31.0
101.02434	14.3
113.02423	8.5
119.03481	7.7
127.07633	8.8
129.09192	0.7
129.27943	0.6
141.09216	2.6
143.03503	0.8
145.08693	73.6
168.86403	0.6
187.09789	1.5
227.12883	0.8
260.30081	0.7
307.10641	4.9
307.13962	100.0
308.14279	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	307.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51871	1.0
52.94559	0.9
53.14780	1.2
53.60838	1.0
54.22226	1.0
55.05699	1.2
58.00588	1.9
58.45593	1.2
59.01385	100.0
60.01707	1.7
61.98830	7.6
64.14742	1.1
66.64581	1.1
71.01376	39.0
72.99290	2.8
76.57978	1.4
78.45853	1.1
78.95919	1.4
81.03482	1.2
82.95414	9.5
85.02948	7.2
89.02438	35.9
95.01398	2.3
96.96011	28.6
96.96978	2.4
98.95582	2.1
99.98634	1.1
101.02449	16.0
113.02445	12.7
119.03485	12.1
124.50243	1.2
127.07662	13.8
131.03586	1.4
133.01393	1.3
143.03540	1.7
161.04533	2.8
172.02942	1.2
177.62776	1.2
179.05623	2.6
227.12939	2.6
247.08241	1.6
307.08762	14.1
307.13943	6.5
307.56137	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	307.1918
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01880	1.9
57.03447	7.1
59.01386	28.8
60.01712	7.2
65.03968	66.5
69.03469	1.8
71.01377	7.0
71.05021	45.3
76.57684	1.2
83.05008	1.8
90.66382	1.4
91.91406	1.3
97.06583	76.5
109.06579	2.0
119.08654	17.8
121.06583	100.0
123.08129	6.5
125.09711	50.4
137.09689	8.3
141.12862	5.6
154.87431	1.5
185.11829	74.4
185.13496	2.5
191.34871	1.4
204.31743	1.3
209.11853	36.7
211.13396	36.9
230.97774	1.4
235.13408	79.7
237.14983	8.5
249.14943	3.1
254.50717	1.3
259.71893	1.4
289.18091	22.5
307.19119	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	11.5
59.01384	16.8
60.01701	1.1
71.01379	3.9
71.05003	0.9
74.28933	0.7
80.02649	1.1
81.03431	1.1
83.05010	4.2
87.44440	0.6
95.04998	5.1
97.06596	9.1
99.07514	1.5
99.08147	41.8
109.06577	16.0
121.02937	0.9
121.06586	1.0
123.08136	6.4
125.09703	24.6
135.08177	1.2
137.09712	95.1
139.11325	1.3
144.66827	0.9
152.91966	0.8
163.11269	11.9
179.14421	11.1
183.10240	0.9
185.11818	12.1
189.09207	0.7
207.10280	9.1
212.23389	0.8
223.13419	100.0
265.15329	1.1
265.18118	29.0
278.82755	0.8
289.18161	3.3
307.19159	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2281
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
50.86523	0.2
51.52628	0.2
58.32108	0.2
59.01381	2.2
59.32859	0.3
63.92686	0.3
76.22379	0.3
86.12878	0.3
144.86499	0.4
169.53592	0.3
307.22803	100.0
308.23083	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	307.2647
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
53.22547	0.2
55.02692	0.2
59.01382	1.6
60.01716	0.3
61.98833	0.3
71.01373	0.4
73.30897	0.2
83.77659	0.2
97.66602	0.2
99.22456	0.2
117.06113	0.2
197.43221	0.3
206.38823	0.3
254.19835	0.2
307.26468	100.0
308.26825	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1121
Annotation	Harringtonolide
Peak:m/z	Relative Intensity
57.03453	1.0
58.02981	4.2
59.01104	1.0
59.01384	21.3
63.96238	4.9
64.97028	5.1
70.02953	0.7
71.01379	13.3
71.05016	19.8
72.00890	0.8
72.01696	0.6
72.99288	0.8
73.02941	1.2
75.00864	4.8
83.01352	0.7
85.02960	5.3
86.00071	0.6
87.00852	3.2
87.05629	6.6
89.02431	2.8
92.11967	0.6
95.01365	0.6
97.04044	0.7
99.04509	7.4
101.02425	3.8
101.70273	0.7
113.02427	6.4
115.00374	0.6
115.05126	2.4
115.92046	4.6
116.07186	4.1
118.46556	0.6
119.03472	0.8
129.01903	0.7
129.05544	3.0
141.84799	0.5
146.08235	100.0
147.03058	1.0
161.04526	1.1
217.11935	20.8
243.13455	0.8
245.15096	1.4
260.30872	0.6
260.35394	0.7
290.05591	0.6
307.46796	0.6
309.08408	3.1
309.11328	63.3
309.58536	1.4
330.21375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1195
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
51.76034	0.6
54.05547	0.6
54.82953	0.6
57.03436	1.8
58.02969	4.4
58.03222	0.7
59.01385	65.8
61.88224	0.6
63.96231	4.5
64.97021	5.7
66.72189	0.7
71.01378	27.9
71.05018	24.7
72.00907	0.7
72.99288	2.9
73.02934	3.3
75.00857	9.1
83.01370	2.8
85.02940	12.9
86.00072	1.4
87.00864	4.6
87.05627	4.6
89.02432	6.5
92.12296	0.9
97.03969	0.8
99.00860	1.6
99.04518	7.8
99.92596	1.4
101.02430	9.6
103.00385	0.7
113.02434	11.1
115.05110	4.0
115.08748	0.9
115.92068	9.2
116.07153	2.8
116.92870	0.9
119.03458	3.0
129.01949	1.2
129.05540	5.8
146.08223	100.0
147.02936	1.0
147.06613	4.3
161.04543	5.5
217.11916	20.9
228.94403	1.2
245.15018	1.1
249.09700	5.4
271.07123	0.9
275.91055	0.9
293.07040	1.1
297.08179	0.9
309.11398	78.2
309.58597	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01714	0.3
61.98842	1.7
61.99240	0.2
71.01385	1.4
73.02946	0.5
75.24325	0.2
80.96512	0.3
84.95135	0.4
85.02954	0.8
95.56430	0.2
96.95994	8.0
99.00909	0.3
100.70613	0.2
101.02425	2.0
107.52183	0.2
113.02457	0.3
118.53432	0.2
125.02471	0.3
159.03040	0.3
161.04570	0.5
173.04979	0.3
176.38181	0.2
227.12874	0.2
229.14513	0.5
249.13428	3.6
309.06772	0.6
309.10089	4.5
309.13397	0.2
310.78220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51466	0.3
59.01379	0.4
59.58376	0.3
61.98833	2.7
67.62511	0.3
74.16245	0.3
75.96202	0.3
79.95729	10.3
80.96509	0.7
94.98080	0.7
95.95221	3.6
96.95999	98.8
107.73274	0.3
122.97570	3.4
129.09177	0.3
183.17610	0.4
309.17438	100.0
310.17801	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03458	1.8
59.01384	6.9
61.98828	2.5
63.87791	1.1
68.91216	1.2
69.03444	1.3
69.60654	1.0
71.01411	1.1
71.05026	15.9
80.96520	10.5
87.71856	1.2
95.05003	2.6
97.06561	6.0
106.66532	1.1
107.05000	1.2
107.08688	8.9
111.08249	1.5
119.08662	2.2
121.10212	15.3
125.09703	10.4
133.02959	2.0
135.08171	1.4
137.09732	13.5
148.42743	1.2
148.83102	1.1
150.05388	1.2
155.10812	2.1
161.22769	1.5
171.10249	33.4
183.10255	19.5
185.11798	12.8
197.11835	2.3
207.13792	1.6
219.13876	1.5
221.15463	2.0
235.16940	2.4
237.15063	1.7
239.16400	1.9
247.20602	1.6
251.16524	30.8
273.18564	1.7
276.09955	2.1
291.12524	2.1
291.19653	90.8
309.20718	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	309.2073
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.70588	2.6
59.01372	8.3
61.24373	3.1
61.98800	4.7
69.96087	2.7
71.05014	16.0
88.62055	3.5
96.08828	4.4
117.40684	3.3
121.10200	19.7
121.75861	3.5
125.09711	5.1
133.02948	3.7
137.09727	15.2
165.59920	3.4
171.10249	37.7
185.11836	21.3
197.11736	4.0
251.16429	36.8
264.26968	3.4
276.10150	7.4
291.12497	4.3
291.19647	100.0
309.20721	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26087	1.2
57.03448	7.7
59.01388	12.9
61.98828	24.5
69.03439	2.6
70.62327	1.3
71.01369	1.3
71.05010	22.2
72.57586	1.3
74.26151	1.5
83.05004	2.7
89.39320	1.3
97.06576	5.9
107.04976	2.2
111.08154	1.7
121.10181	3.5
125.09693	5.4
126.21502	1.5
132.77849	1.4
137.09683	15.5
141.12852	1.7
163.47923	1.6
171.10252	43.8
172.63840	1.5
183.10260	7.8
185.11783	12.3
195.13902	8.0
208.11095	2.6
209.48027	1.7
221.15504	10.3
233.15419	1.7
235.17039	6.1
237.14975	3.6
239.16542	26.6
247.20764	2.7
251.16460	23.9
265.18066	2.2
273.18396	2.5
291.16354	3.0
291.19669	68.3
309.20715	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56253	0.8
57.03452	15.8
58.28511	1.0
59.01369	0.9
61.98830	4.1
71.05005	4.2
75.00864	1.0
80.02668	1.6
81.03468	1.9
83.05026	10.8
92.57195	1.3
97.06567	1.2
99.08150	71.9
110.65227	1.1
121.10208	7.5
125.09701	5.1
134.08386	1.1
141.12895	1.6
163.11282	3.7
165.12839	1.5
171.10271	1.2
185.11824	72.2
189.03735	1.0
191.10684	1.5
207.13913	6.0
209.11845	100.0
239.16606	1.4
291.19653	25.4
309.20740	43.9
316.28445	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01892	1.4
57.03447	1.5
59.01370	5.7
61.98823	5.0
63.10252	0.9
71.05030	1.6
71.75323	1.1
80.90813	1.0
88.57486	1.0
89.38740	1.1
89.59805	1.0
95.01377	1.3
99.00869	17.8
99.08093	1.6
111.08145	30.2
131.72643	1.2
151.04012	1.2
151.07666	1.6
151.11275	1.3
152.08482	1.8
153.09172	1.5
153.12805	1.2
158.25620	1.1
169.12328	14.1
171.10255	2.9
181.12439	1.9
183.13945	1.3
183.96075	1.1
193.12285	1.9
195.13846	1.3
197.11833	100.0
199.13420	2.7
209.12100	1.3
209.15482	30.8
211.13387	10.8
223.17046	5.5
225.14980	2.2
227.12851	1.3
229.19530	1.8
233.15437	2.0
233.88004	1.2
251.16565	5.8
263.20178	4.4
265.18207	2.2
291.19650	24.7
309.17383	2.5
309.20731	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2801
Annotation	Delta2-cis Eicosenoic Acid
Peak:m/z	Relative Intensity
59.86134	0.7
61.90194	0.7
61.98840	6.2
64.34371	0.7
70.21005	0.8
75.20570	0.6
96.96017	1.6
155.04182	0.7
190.99500	0.7
197.83212	0.7
227.20178	0.8
252.00432	0.8
309.28018	100.0
310.28351	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	309.2801
Annotation	Delta2-cis Eicosenoic Acid
Peak:m/z	Relative Intensity
51.51470	0.2
54.83266	0.2
56.17376	0.2
61.98825	1.9
64.79898	0.3
70.39018	0.2
79.36649	0.2
86.43629	0.2
96.95977	2.1
99.33472	0.2
197.26454	0.2
273.51874	0.2
309.28018	100.0
310.28497	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	310.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90982	0.3
57.03453	0.3
57.22061	0.3
59.01386	100.0
59.67168	0.3
60.01704	0.5
60.76091	0.3
61.98489	0.2
61.98827	0.4
63.96248	0.3
71.01374	3.0
71.05023	0.7
74.99113	0.4
75.00874	2.0
85.02956	1.7
85.76016	0.3
87.00900	0.6
89.02458	1.6
101.02444	0.5
111.00894	2.0
113.02458	1.5
116.92142	0.6
130.08727	0.3
134.04735	7.0
146.08244	3.8
147.08647	0.7
191.02084	0.6
212.35368	0.3
217.12039	0.4
250.09447	5.0
309.11667	2.1
310.12006	3.0
311.08029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
56.25283	0.5
57.03460	0.6
59.01388	100.0
59.58915	0.6
60.90106	0.5
61.98840	5.5
63.95741	0.6
71.01387	10.1
72.99306	0.8
73.02946	3.6
75.00873	0.5
83.01374	1.4
85.02954	5.7
87.00856	0.7
89.02431	0.8
101.02443	8.0
107.05046	0.7
113.02444	3.0
161.04581	3.2
193.09785	0.6
251.11461	0.8
269.10324	4.1
282.06708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1868
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
54.87017	0.4
56.51134	0.3
59.01367	2.3
71.01371	0.4
71.62717	0.4
121.83630	0.4
122.03716	1.1
136.05278	0.5
139.70500	0.4
141.12837	0.5
157.08780	0.6
167.14423	2.0
168.04298	0.4
189.56610	0.4
207.17523	0.6
223.20721	2.6
249.18578	6.9
267.19662	100.0
268.19934	1.0
275.16559	9.9
293.17618	38.2
293.20844	2.0
311.18661	38.0
311.22281	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	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.83829	0.5
57.03445	1.1
59.01381	1.5
63.76757	0.5
64.51149	0.5
70.10076	0.6
108.76962	0.6
183.01225	23.2
184.01929	4.8
216.01015	2.5
224.69778	0.7
248.67247	0.7
249.22252	59.6
267.23203	2.9
293.21268	29.7
311.16852	39.2
311.22287	100.0
312.22745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	9(S)-HpODE
Peak:m/z	Relative Intensity
52.76738	0.6
53.20273	0.7
56.91073	0.7
59.01387	18.1
61.98817	1.1
79.95737	4.8
95.62184	0.9
98.63991	0.8
99.08130	1.2
102.61446	0.9
107.56541	0.7
119.05007	1.0
125.09679	1.4
139.11270	1.7
171.10266	10.3
181.12384	1.4
183.01216	45.4
183.10371	1.3
184.01796	1.2
186.91577	0.8
193.12370	1.1
197.02773	24.1
197.04451	1.3
198.03409	1.0
199.13411	1.9
211.13463	1.3
212.13831	0.9
213.67964	1.0
239.07651	1.0
251.11131	1.0
293.21304	11.5
311.16861	100.0
311.22290	58.1
312.17209	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	311.2232
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.69706	0.5
54.83175	0.5
57.03445	0.9
57.60294	0.4
59.01376	2.1
61.40543	0.5
68.49666	0.5
80.02740	0.4
81.03455	0.9
83.05032	6.5
97.06582	0.7
99.08164	7.5
113.09766	0.8
125.09765	3.5
127.11287	0.5
139.11273	6.7
149.09720	0.6
154.03488	0.5
171.10284	19.2
172.63109	0.6
179.78201	0.4
181.12375	2.1
183.97708	0.5
185.11873	3.9
191.14404	0.7
193.12311	1.1
209.15489	2.4
225.15047	4.5
236.30284	0.6
248.00975	0.5
249.22217	1.9
275.20331	0.5
293.21265	31.2
311.22321	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
53.57561	0.4
57.03188	0.6
57.03452	11.1
58.00590	1.8
59.01379	1.8
59.05012	0.5
71.01352	0.4
71.05026	0.6
85.02946	3.8
87.03972	0.8
87.04505	23.1
101.06084	0.6
111.08216	0.4
162.21255	0.4
198.32381	0.4
223.17044	58.0
235.17036	4.7
240.17134	0.4
253.18150	0.6
275.20245	4.1
293.21283	6.2
309.20950	0.6
311.22302	100.0
312.22601	0.9
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	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.74673	0.6
57.03440	1.4
59.01387	5.1
69.03438	0.7
83.05032	1.1
84.02210	0.7
97.02908	2.7
98.23396	0.7
99.08147	2.6
111.08138	1.1
113.09702	3.3
121.10221	2.7
125.09677	2.7
127.11255	1.1
137.09741	1.0
139.11266	10.9
155.10808	0.9
161.72174	0.7
167.10773	1.3
168.91594	0.6
171.10260	38.9
178.35432	0.7
183.10332	1.1
185.11848	5.0
193.06139	0.7
193.12285	8.8
201.11331	1.7
211.13420	7.2
243.92171	0.8
256.21249	0.8
275.20172	0.9
293.21259	21.0
306.36795	0.9
311.22305	100.0
312.22363	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
53.03271	0.6
57.03445	3.1
57.49772	0.6
59.01384	6.8
78.61245	0.7
83.05006	0.9
92.12454	1.3
95.26086	0.7
98.07737	0.7
99.08143	3.3
108.12619	0.6
110.86187	0.7
111.08150	1.0
113.09711	3.5
125.09695	1.3
127.11279	1.2
129.09203	5.3
138.80757	0.8
139.11288	5.2
151.11278	0.8
153.09337	0.9
155.10837	1.3
169.12369	2.8
171.10257	31.0
181.12357	4.0
183.10243	2.9
183.13957	1.7
185.11821	3.9
193.12314	1.0
195.35594	0.7
197.11832	7.7
199.13379	1.5
201.11374	4.6
211.13434	14.8
231.94305	0.8
275.20294	2.8
293.21198	15.1
311.22302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0719
Annotation	Sophoracarpan B
Peak:m/z	Relative Intensity
53.11226	0.3
53.22437	0.3
55.14828	0.3
59.01108	0.4
59.01386	8.9
63.02100	0.4
63.02401	7.5
65.00318	3.7
69.58635	0.4
83.01392	0.5
99.08139	0.6
103.55183	0.4
105.69628	0.4
105.72952	0.4
107.01381	4.3
108.46296	0.4
115.05577	0.4
118.95408	0.4
119.05016	0.7
121.02930	0.6
125.02452	0.6
138.30141	0.4
143.04987	6.8
145.03020	2.8
151.00385	0.9
154.27147	0.5
165.07124	0.9
167.05034	1.5
180.05817	0.6
181.06625	1.8
183.13905	1.6
185.06062	0.8
190.21400	0.4
197.06104	4.5
209.06055	4.1
211.04015	0.8
225.05583	0.9
253.05064	100.0
254.05469	1.0
271.06104	7.4
313.07211	30.1
313.23837	8.5
314.07568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
51.71901	0.5
54.39059	0.4
59.01373	3.8
64.34325	0.6
103.28788	0.5
109.32452	0.5
113.51309	0.5
120.74845	0.5
125.09673	0.9
127.11185	0.6
139.88469	0.5
155.10791	7.5
169.12323	2.7
171.10300	3.8
250.94740	0.5
251.20235	0.7
277.21786	0.6
295.22736	15.7
311.22241	0.9
313.23853	100.0
314.24231	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	313.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82477	0.4
57.03452	0.5
58.00348	0.4
58.00602	5.1
59.01391	4.6
64.34415	0.5
66.36753	0.4
74.14281	0.5
94.21944	0.5
99.07513	0.9
99.08145	22.0
101.09693	0.6
113.09728	0.7
114.38496	0.4
121.02959	0.9
127.07652	3.5
129.08238	0.7
129.09204	19.9
132.39568	0.6
174.99257	1.1
183.13895	43.6
184.14302	1.7
195.13899	5.3
196.88577	0.6
206.27464	0.6
277.21835	4.4
295.19739	0.9
295.22769	8.6
313.23877	100.0
314.24268	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	313.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39958	0.3
59.92991	0.4
63.35756	0.3
64.54774	0.4
64.63793	0.3
67.97636	0.4
118.64571	0.4
127.11261	0.5
133.72537	0.4
139.11263	0.5
155.10774	3.3
157.12326	0.5
171.10252	4.5
182.19469	0.4
295.22775	11.2
306.85413	0.4
311.22403	1.5
313.23871	100.0
314.24258	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	313.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41166	0.5
57.03445	0.7
58.00592	3.9
59.01373	0.7
72.61293	0.8
79.27829	0.6
108.84206	0.6
121.33303	0.6
123.08204	0.8
125.09698	10.0
127.11282	13.7
134.68311	0.6
137.09732	2.5
139.11301	1.5
144.80484	0.7
153.88225	0.6
155.10815	3.4
157.12332	2.6
165.09184	4.9
169.27022	0.6
171.10278	13.2
183.10280	2.5
199.09802	4.1
201.11334	79.0
202.11653	1.2
208.25964	0.8
277.21704	9.1
295.22809	6.8
313.23883	100.0
314.24274	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	313.2389
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
58.84935	0.2
59.01384	0.9
62.78209	0.2
66.61414	0.2
74.79653	0.2
88.11366	0.2
91.20994	0.2
111.08153	0.4
113.09705	1.0
119.96137	0.2
123.08157	0.2
133.05080	0.4
137.09744	0.2
141.09184	0.2
141.12827	0.2
143.10738	1.2
155.10771	0.4
169.12338	9.3
185.57899	0.2
245.38359	0.2
249.22221	0.4
265.21805	0.4
277.21716	1.6
293.21240	0.3
295.07959	0.3
295.22787	18.8
296.23138	0.3
311.22275	2.2
313.23877	100.0
314.24258	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	313.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93472	0.3
58.00605	4.4
70.13376	0.4
90.36273	0.4
97.06540	0.6
99.08145	25.4
99.89053	0.4
101.09700	0.4
121.43803	0.4
127.07613	4.3
129.09206	23.7
130.09515	0.5
150.70459	0.4
164.44139	0.4
183.13892	47.5
184.14287	0.6
195.13908	4.8
277.21814	4.4
295.22803	9.1
296.23303	0.5
313.23880	100.0
314.24194	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	313.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42652	0.5
59.01373	1.0
60.23374	0.4
72.99293	0.8
75.00868	100.0
91.02203	3.0
93.00101	1.0
130.68979	0.6
134.41394	0.5
237.26833	0.5
255.23320	37.1
256.23685	2.1
304.31403	0.7
313.19290	0.8
313.23825	5.4
316.31329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59594	0.7
51.30609	0.9
58.00590	4.2
59.01387	9.3
63.16306	0.9
69.05579	0.9
92.11780	1.5
99.08148	23.8
111.67546	1.0
116.92778	1.4
127.07670	1.8
127.40730	0.9
129.09218	25.8
130.11246	1.2
182.33652	0.9
183.12234	1.4
183.13885	36.4
183.15408	1.6
183.82147	1.1
195.13884	5.9
213.15111	1.5
214.89648	1.1
245.63612	1.0
269.97122	1.0
275.88806	0.9
277.21619	2.4
295.22690	10.2
313.23892	100.0
314.24048	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2748
Annotation	19-hydroxy-nonadecanoic acid
Peak:m/z	Relative Intensity
55.97967	1.1
59.01365	1.2
62.39251	1.2
64.34386	1.1
73.02949	37.6
75.00855	5.1
76.57631	1.3
85.65186	1.3
95.02436	1.2
150.60823	1.3
150.90503	1.2
160.71860	1.3
181.93604	1.3
185.00734	5.4
233.02878	1.3
239.23689	2.5
241.22133	1.4
247.01352	1.3
255.23402	2.4
265.25378	5.9
280.23621	3.0
283.26407	100.0
313.16705	12.2
313.23779	5.4
313.27463	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2752
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
52.54853	0.7
55.01872	1.7
59.01373	1.3
61.98833	1.0
75.00863	1.9
79.83441	1.0
87.18377	0.8
88.93637	0.9
91.02197	5.2
95.51540	0.8
97.07879	0.8
103.07487	0.9
107.80196	1.0
148.23865	1.0
241.37148	1.0
265.25360	5.0
267.26941	82.7
268.27170	1.2
313.27509	100.0
314.27792	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	313.2752
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
57.03454	16.4
59.01382	1.8
69.03459	3.8
74.99064	2.2
82.27019	0.4
82.28911	0.4
87.96620	0.4
91.02199	8.8
93.00123	3.7
103.04032	0.5
150.27052	0.4
222.81171	0.4
233.68681	0.5
239.23691	0.5
251.23801	2.1
267.26953	71.5
268.27271	0.7
295.26483	3.6
311.25946	0.9
313.27527	100.0
314.27762	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60175	0.6
53.31795	0.6
54.63605	0.5
59.01378	3.1
76.47124	0.6
80.01215	0.7
80.15109	0.6
83.31459	0.7
105.03440	1.7
106.04243	0.8
111.00800	0.7
111.08113	0.8
119.05025	0.9
121.02944	3.4
125.09737	0.9
132.02185	1.7
133.02953	21.9
134.03732	100.0
137.02432	17.7
139.04060	5.1
147.04564	0.9
149.06078	24.4
149.07201	1.3
150.03221	1.3
160.01666	4.2
177.01971	1.2
178.02704	61.7
193.05054	83.4
242.81551	0.7
255.23286	4.4
300.09958	3.0
307.74921	0.7
315.12375	19.7
315.18146	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	315.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92536	11.4
59.01385	16.0
61.20710	10.8
61.72599	9.4
64.34692	9.5
71.74171	11.5
204.62047	12.8
255.23396	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	315.254
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.2
59.01369	1.2
69.29328	0.3
92.11716	0.4
100.88861	0.3
122.25563	0.3
122.72598	0.3
125.09721	1.1
127.11277	3.9
141.12856	6.5
143.10771	1.5
155.10799	1.8
157.12373	0.6
169.12311	0.4
171.10297	3.0
171.13890	2.2
201.11322	1.8
255.23390	1.5
258.15594	0.3
279.23206	2.2
295.22784	0.5
297.24405	10.8
298.25058	0.3
313.23901	5.8
315.25421	100.0
316.25671	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	315.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	0.3
59.01372	1.8
71.71523	0.3
74.44102	0.3
82.33984	0.3
82.84087	0.3
103.20145	0.3
112.80620	0.3
113.09730	2.7
116.28910	0.3
127.11266	1.6
127.45509	0.3
141.09227	0.5
141.12842	2.7
143.10782	2.2
145.13051	0.3
155.10838	0.7
155.14415	1.5
171.10236	3.1
171.13895	1.3
183.13834	0.3
199.13443	2.1
201.11401	0.5
217.00253	1.0
229.14537	0.6
239.23743	0.4
255.23265	1.8
259.50381	0.3
274.97687	0.3
279.23257	3.4
295.22754	1.7
297.24359	12.1
302.82230	0.3
311.22263	1.2
313.23889	8.9
315.25406	100.0
316.25751	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	317.1029
Annotation	4-O-Methyl episappanol
Peak:m/z	Relative Intensity
56.87605	1.9
59.01393	3.1
59.70879	2.1
59.84908	2.3
67.18317	1.9
103.88131	2.7
118.22724	2.3
123.04549	2.9
133.02933	4.6
134.03732	100.0
134.14949	2.5
135.04544	19.9
137.02435	17.3
137.77231	2.4
139.04004	2.9
149.06070	23.9
151.52237	2.9
159.04512	2.6
160.01659	3.3
167.53758	2.7
175.03946	5.9
178.02698	55.6
179.03471	14.8
193.05049	87.8
302.07901	2.8
317.10284	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57517	1.9
57.03436	4.9
59.01379	32.8
68.19803	2.3
71.01356	3.1
71.05000	9.7
83.04996	3.0
87.00837	2.6
89.02422	2.2
91.03961	2.4
92.11764	3.1
97.02912	8.3
97.06626	3.9
98.59634	2.7
99.00869	27.8
109.06597	3.5
123.08086	2.7
125.09688	11.3
125.85159	2.3
163.11285	17.9
181.12335	58.2
197.11703	3.6
199.13406	51.6
207.10280	58.5
225.11305	100.0
243.12370	80.0
310.06982	2.5
317.16034	95.9
317.19687	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	318.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48295	0.4
51.64964	0.4
51.65226	0.3
59.01385	2.2
59.98191	0.4
60.31590	0.4
61.98837	0.7
65.04096	0.3
71.01367	0.6
71.05028	0.7
75.52339	0.4
78.95921	0.4
79.06252	0.3
84.88790	0.4
88.03996	1.6
96.95988	2.6
96.96957	0.8
98.95586	2.9
98.96364	0.5
99.92574	23.2
100.93353	4.2
103.92007	0.8
104.83816	0.5
114.05643	0.5
115.92065	32.3
116.92849	100.0
117.92870	0.8
120.99631	5.3
122.00012	0.8
122.89446	1.8
124.89100	0.8
125.92868	4.4
127.87044	0.5
138.05597	0.5
141.92451	0.7
142.93175	1.8
146.08240	0.6
153.96049	1.8
157.91895	0.7
157.93164	0.6
168.94713	1.0
169.95531	1.1
170.93947	1.6
187.96565	0.8
196.94235	1.0
198.95792	1.6
212.00194	2.7
221.84276	0.6
226.01918	0.5
238.01817	2.7
251.99693	9.7
254.01318	0.9
282.00833	4.7
318.02878	42.6
319.03345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1713
Annotation	Hippeastidine
Peak:m/z	Relative Intensity
53.29028	1.4
59.01385	20.7
62.41893	1.3
62.56180	1.3
63.15634	1.5
65.16376	1.6
94.02967	4.1
95.01386	2.5
122.02482	21.8
123.00835	3.4
134.02472	7.5
137.02382	1.9
140.01128	1.9
150.01982	37.4
150.35475	1.8
151.02777	17.1
151.03793	2.1
152.03514	2.8
153.46277	1.6
164.03499	2.0
178.01469	34.9
192.03011	8.6
195.97098	1.7
206.04524	2.1
236.97252	3.0
288.12491	2.2
294.12448	1.9
303.14801	90.1
318.17096	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	319.0858
Annotation	N-Acetyl Sulfamethazine
Peak:m/z	Relative Intensity
50.00646	0.4
52.20136	0.3
57.03455	11.7
59.01381	1.9
67.46658	0.4
79.95719	0.5
81.38350	0.4
96.95999	100.0
109.06606	1.8
123.08177	2.5
125.09651	0.7
137.09682	2.3
146.06558	0.5
149.38730	0.5
151.11319	3.0
187.01111	0.5
195.13927	9.7
223.05130	0.5
239.12891	19.8
277.68274	0.5
288.74014	0.5
319.08600	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17981	0.2
57.03457	12.5
59.01385	3.1
61.98832	1.4
64.01414	0.2
64.10638	0.3
69.03457	0.3
71.05032	0.4
71.80753	0.2
79.95736	0.6
83.77663	0.2
96.96005	100.0
109.06589	2.2
123.08165	3.7
125.09693	0.6
135.08185	0.4
137.02379	0.3
144.04561	0.4
151.11293	3.7
159.03273	0.3
189.06746	0.4
195.13922	11.1
239.12914	18.9
319.08615	20.0
319.21097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	8.5
61.98837	1.2
71.01382	57.8
77.32635	1.1
79.48479	1.2
92.65801	1.2
92.92796	2.4
113.06109	6.3
115.00368	100.0
115.03978	1.5
115.92072	2.0
125.06153	1.1
203.08195	2.2
299.68622	1.3
309.78558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46341	3.2
53.44123	3.0
54.61166	3.0
56.25472	3.2
56.31518	3.0
57.02110	3.0
57.03441	7.9
57.37736	2.9
59.01385	50.5
59.74329	2.9
60.41501	3.0
62.60222	3.1
63.72229	3.0
66.66113	3.7
70.02966	16.0
71.01373	22.0
72.00900	29.6
74.02460	15.5
80.52950	3.9
85.02917	3.4
89.02449	5.8
93.03436	6.4
96.95987	59.0
97.02917	3.5
99.00876	5.8
109.01685	65.1
110.02470	66.9
113.02497	4.0
114.01952	4.8
116.05054	69.2
119.05044	29.3
128.03546	4.0
137.02361	4.0
139.71436	3.4
142.06590	21.5
145.03000	16.5
147.35143	3.5
152.61577	3.6
153.13037	4.1
157.07626	5.1
159.09303	7.2
163.04004	17.5
185.72914	4.6
186.05609	5.6
195.13905	6.5
197.07191	4.1
203.08276	100.0
213.10469	4.7
215.08311	4.1
218.67291	3.8
239.12958	16.6
283.04456	3.8
283.07288	75.6
301.08282	22.5
319.08563	24.1
319.14032	6.0
319.21353	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	319.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46341	3.2
53.44123	3.0
54.61166	3.0
56.25472	3.2
56.31518	3.0
57.02110	3.0
57.03441	7.9
57.37736	2.9
59.01385	50.5
59.74329	2.9
60.41501	3.0
62.60222	3.1
63.72229	3.0
66.66113	3.7
70.02966	16.0
71.01373	22.0
72.00900	29.6
74.02460	15.5
80.52950	3.9
85.02917	3.4
89.02449	5.8
93.03436	6.4
96.95987	59.0
97.02917	3.5
99.00876	5.8
109.01685	65.1
110.02470	66.9
113.02497	4.0
114.01952	4.8
116.05054	69.2
119.05044	29.3
128.03546	4.0
137.02361	4.0
139.71436	3.4
142.06590	21.5
145.03000	16.5
147.35143	3.5
152.61577	3.6
153.13037	4.1
157.07626	5.1
159.09303	7.2
163.04004	17.5
185.72914	4.6
186.05609	5.6
195.13905	6.5
197.07191	4.1
203.08276	100.0
213.10469	4.7
215.08311	4.1
218.67291	3.8
239.12958	16.6
283.04456	3.8
283.07288	75.6
301.08282	22.5
319.08563	24.1
319.14032	6.0
319.21353	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	319.1398
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
53.54542	0.9
55.01883	1.6
57.03444	2.4
58.00588	1.9
59.01388	67.1
61.98823	5.1
66.39154	1.2
71.01378	28.8
71.78842	1.1
72.00903	5.2
72.99320	4.0
73.02939	5.3
76.57410	1.1
81.31419	1.0
83.01376	2.1
85.02951	7.8
87.00843	1.8
89.02432	22.0
96.95995	6.1
101.02425	19.0
109.01693	10.3
110.02450	7.1
111.08148	27.0
113.02416	9.8
114.01975	1.2
116.05024	9.4
116.92802	1.4
117.10452	1.2
119.03514	8.1
130.06580	1.5
139.07657	5.3
142.06645	2.5
153.09209	1.4
157.08696	64.2
199.09871	1.6
203.08307	13.6
283.07220	11.0
301.08347	2.4
301.20370	1.3
319.13992	100.0
319.21173	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	319.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
57.03191	0.6
57.03453	11.3
58.00593	1.0
58.02992	0.6
59.01384	58.1
60.01664	0.4
61.70148	0.4
61.98841	0.6
63.93201	0.4
63.94309	0.4
68.98767	0.4
69.03449	2.0
70.88621	0.4
71.01377	27.3
71.05016	1.8
72.00905	1.8
72.17098	0.4
72.99307	1.8
73.02921	0.5
74.02458	0.6
77.58602	0.4
79.95746	0.5
83.01378	0.9
83.05008	0.4
85.02946	6.5
87.00854	0.9
89.02437	27.6
90.39893	0.4
90.54537	0.5
93.03428	0.5
93.07092	0.9
94.40278	0.4
95.01376	2.6
95.08665	0.4
96.95997	100.0
101.02428	11.8
109.01680	2.4
109.06559	2.2
110.02474	2.8
113.02441	9.0
116.05065	2.0
119.03489	10.8
123.08130	3.8
135.08144	0.7
139.06561	0.5
139.07642	15.8
142.06593	0.6
143.03560	0.5
144.04523	1.0
146.02512	0.9
151.11273	4.0
157.08728	0.6
160.04066	0.7
161.04558	1.0
171.05679	0.6
172.04086	0.9
174.48093	0.5
179.05617	2.6
189.06729	0.8
191.09232	0.5
195.13913	12.5
203.08284	3.2
205.39943	0.4
239.12880	18.2
283.07202	2.5
301.08496	0.6
319.08585	21.0
319.13800	0.6
319.21225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12928	0.9
59.01387	12.7
59.67680	0.9
61.98862	1.2
70.62195	0.9
74.01581	1.0
91.97106	1.0
92.11724	3.2
99.55194	1.3
114.37920	1.0
116.92857	1.6
193.43620	1.0
277.21735	100.0
278.22165	1.7
310.42706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2437
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
57.03456	2.8
59.01385	30.6
60.19213	1.5
61.98820	1.7
64.95305	1.4
71.01373	1.3
71.05006	2.0
74.53496	1.5
75.11588	1.5
76.05073	1.3
78.95900	2.6
83.71938	1.6
84.86048	2.0
85.63840	1.6
86.68038	1.6
113.09705	8.3
125.69551	1.8
141.01727	9.9
163.60347	1.7
190.11842	1.8
195.13945	2.5
217.69720	1.7
219.90166	2.0
223.17104	6.9
263.20111	15.3
303.23422	21.1
321.24405	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	322.0933
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
54.36821	3.5
59.01110	5.1
59.01386	100.0
61.98824	25.7
71.01382	50.0
72.99301	8.5
75.00860	28.6
85.02914	5.7
89.02441	53.4
101.02438	27.4
113.02435	18.7
116.05052	36.0
119.03485	9.1
160.03995	50.1
202.05072	10.5
262.07233	27.7
281.80899	4.5
299.26871	5.6
322.09396	45.7
322.15631	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	322.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
71.71055	0.7
81.24722	0.7
92.11731	1.5
96.39698	0.7
97.06575	0.7
102.59256	0.8
119.71169	0.7
149.18579	0.8
279.23297	100.0
280.17416	0.7
280.23691	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	322.2752
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
51.00171	2.7
54.37808	2.8
58.02962	3.5
59.01373	14.5
72.04536	7.2
72.49139	2.8
75.01234	3.1
76.03478	3.4
86.02464	16.3
88.31402	3.4
92.62763	3.7
100.04067	6.6
109.47009	3.3
116.92921	4.1
123.72218	3.6
127.22872	3.5
141.01791	4.8
188.85104	3.7
211.68709	3.6
320.25934	42.1
322.27530	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	323.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50409	0.4
58.00597	0.6
59.01385	53.6
61.98815	1.0
65.14544	0.5
66.40709	0.4
71.01382	8.3
72.90042	0.4
72.99280	3.3
76.33196	0.5
79.68578	0.5
89.02051	0.4
89.02446	7.1
89.28578	0.5
96.95977	1.9
99.39381	0.5
101.02429	3.8
112.73843	0.4
121.02962	0.6
121.25537	0.5
145.07690	2.3
146.04895	0.9
160.06412	25.9
161.07201	87.1
162.07506	0.6
170.27855	0.5
175.08759	56.1
187.08759	0.7
189.06691	100.0
190.07068	1.1
201.10394	0.8
203.08278	34.5
205.05064	0.6
229.09743	0.8
235.06067	0.9
270.51425	0.5
287.15018	1.2
295.13034	1.9
305.11429	2.5
320.56195	0.5
323.08612	1.1
323.12503	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20324	0.5
55.01875	1.1
57.03443	0.9
58.00585	3.8
59.01386	100.0
62.00017	0.6
62.78291	0.7
66.35576	0.7
71.01382	44.1
72.99287	1.4
83.01374	3.2
85.02943	10.5
87.00847	1.1
89.02442	38.2
95.01397	3.1
96.95997	1.4
101.02432	21.4
113.02455	15.4
115.45164	0.6
116.41447	0.7
119.03491	16.3
131.03510	0.9
161.04597	0.8
179.05627	1.0
203.08307	1.1
323.13507	76.8
324.13751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41825	0.6
54.82452	0.7
54.97536	0.6
55.01861	1.0
57.03448	0.7
57.28002	0.6
58.00598	1.3
59.01383	100.0
62.05115	0.6
71.01378	38.7
71.90520	0.6
72.99305	1.2
73.02946	1.1
83.01362	1.8
85.02941	8.2
89.02435	44.4
95.01363	3.4
96.96011	1.2
101.02428	21.2
109.12669	0.7
113.02440	14.7
119.03476	16.3
163.83704	0.7
179.05630	3.1
209.60529	0.9
237.81311	0.8
323.13516	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
58.67028	0.8
59.01390	100.0
71.01385	42.0
72.99291	2.0
73.90186	1.0
78.06549	0.9
78.95889	1.1
83.01368	1.3
85.02949	8.8
89.02438	48.2
93.37311	1.1
95.01392	4.3
96.95996	2.5
101.02440	23.2
113.02444	14.6
119.03479	12.7
179.05545	1.2
226.66487	1.0
228.61510	1.0
323.13498	84.5
328.31274	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	6.4
57.92559	3.7
59.01390	14.4
60.91604	3.0
61.98801	3.4
64.02957	3.7
71.05034	34.2
80.81243	3.0
81.03489	5.0
83.05042	4.3
95.05022	57.7
95.96995	3.9
97.06577	15.6
109.06602	40.2
110.64479	3.1
121.02949	4.1
122.03600	3.9
123.08163	5.2
133.06566	3.7
135.08177	19.4
151.07607	5.9
158.52689	3.5
171.10271	100.0
189.12863	16.7
209.11853	5.0
223.13387	17.9
233.11903	8.6
249.14868	25.8
287.16663	5.6
305.17572	30.6
316.82428	4.0
323.18741	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	323.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82736	3.9
55.19062	3.5
56.36176	3.4
57.03436	21.7
59.01371	21.8
60.31619	3.7
67.38257	3.9
71.01344	5.3
71.05001	26.7
73.02940	3.6
73.09740	4.8
81.03429	6.0
95.05025	78.5
96.95988	19.7
100.16552	4.9
101.02370	5.6
101.26421	4.4
105.08471	4.0
107.04967	6.1
107.44334	4.5
109.06577	33.5
113.02464	5.5
125.09748	10.2
135.08197	29.7
142.49301	4.0
151.07584	7.1
154.76241	4.3
158.10222	4.3
171.10262	100.0
179.14389	5.3
185.11826	6.2
223.13452	55.3
246.54469	6.0
249.14877	29.7
263.16248	7.3
265.14499	9.1
305.17743	7.1
316.64493	5.5
323.15283	9.0
323.18542	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	323.2228
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.61311	0.8
55.29842	0.9
59.01377	4.5
61.98841	1.2
70.13031	0.9
74.83253	1.0
89.02406	1.3
92.12431	3.1
123.04551	1.4
151.07526	1.0
165.09152	1.5
165.12891	1.2
167.10539	1.1
183.01089	1.2
193.12355	1.1
197.03456	0.9
209.04602	1.2
250.41661	1.0
261.22226	4.9
305.21240	100.0
306.21478	1.2
323.16763	9.4
323.22284	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	323.2591
Annotation	(plusmn)15-HEDE
Peak:m/z	Relative Intensity
59.01368	7.2
61.98820	2.9
62.02147	1.3
71.01350	1.3
77.57013	1.3
113.09708	1.6
116.95890	1.3
172.76999	1.2
199.13391	2.6
223.17050	18.9
254.96939	1.2
305.24890	28.5
323.25940	100.0
324.26578	1.4
337.51794	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	323.2593
Annotation	15-HEDE
Peak:m/z	Relative Intensity
55.01893	0.8
61.98855	0.4
65.21791	0.4
75.30171	0.4
83.05012	5.5
85.06578	11.4
85.07041	0.6
86.80512	0.4
97.06596	0.7
112.01691	0.7
125.09737	0.8
126.25538	0.4
166.63512	0.4
173.37012	0.4
193.79102	0.4
235.20807	0.6
237.22235	1.9
241.21758	0.5
251.23837	0.4
277.25269	1.7
278.16806	0.5
279.26932	100.0
280.27255	2.1
305.24893	8.1
323.25922	46.8
324.26117	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2595
Annotation	15-HEDE
Peak:m/z	Relative Intensity
55.01890	0.7
57.53042	0.6
58.38230	0.5
58.74611	0.5
59.01378	0.8
61.98834	0.8
66.44357	0.5
69.03452	1.2
83.05025	8.8
85.06110	0.8
85.06597	15.0
90.73524	0.6
94.04248	0.7
95.04996	0.7
97.06592	0.9
99.61196	0.6
125.09730	0.6
145.45737	0.7
169.14500	0.7
237.22243	3.5
251.23491	0.8
277.25391	3.9
279.26950	100.0
280.27316	3.0
323.25952	91.9
324.26337	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	324.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65722	40.3
54.82612	39.9
61.98813	100.0
66.15946	46.2
85.41656	46.6
85.71871	43.7
89.41022	39.8
98.04313	51.3
98.63769	38.4
108.18036	45.1
146.46152	51.2
166.14389	46.9
174.02769	45.3
187.08035	48.0
315.19269	51.2
315.61169	46.4
325.18451	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	324.2181
Annotation	Dapiprazole
Peak:m/z	Relative Intensity
52.62777	0.2
53.01763	0.2
58.02956	0.4
60.49701	0.3
83.84286	0.3
84.15151	0.3
114.00271	0.3
128.10796	1.9
128.96361	0.3
130.08722	100.0
165.16791	0.3
185.88811	0.3
265.09460	0.3
272.57654	0.4
294.00803	0.5
309.67673	0.3
324.21838	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35902	19.2
59.01370	90.3
59.96202	19.1
60.45064	17.2
61.98838	25.3
64.25265	19.3
69.14951	21.1
107.03607	21.5
171.32617	26.9
201.11423	32.6
218.08511	24.3
234.19946	25.8
325.20282	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	324.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.6
67.43453	0.7
74.42905	1.0
92.11572	1.4
96.95948	1.1
104.14531	0.9
170.94334	1.0
171.10245	1.1
174.46901	0.8
182.11925	3.4
183.01176	24.8
229.67865	0.9
254.47957	0.8
279.88901	1.0
281.24854	100.0
325.14566	1.4
325.18411	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03447	4.4
59.01385	11.8
69.03462	10.6
71.05030	5.1
73.86384	2.5
75.63002	2.6
81.03439	3.7
83.05021	4.4
92.12324	3.4
95.05031	3.1
97.02921	6.5
98.24329	2.6
109.06577	22.4
134.04704	17.1
142.60565	2.7
166.79749	3.0
169.12300	3.8
171.10318	19.1
178.45375	2.6
183.10320	3.2
197.11795	40.2
201.11504	2.7
201.67850	2.9
209.11824	5.4
211.13426	17.9
223.13414	4.2
237.15111	3.7
289.18100	6.3
307.19266	3.9
325.20193	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2174
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
52.20594	0.2
59.01377	0.3
62.27130	0.3
63.25969	0.2
73.20766	0.2
90.96700	0.2
108.86045	0.3
121.56241	0.3
133.06613	0.4
134.04720	0.4
147.08147	0.4
149.09709	95.7
150.10045	1.1
163.11279	100.0
164.11569	0.6
176.12660	0.3
183.01193	4.8
204.95340	0.3
230.74168	0.3
265.25348	0.3
325.18442	5.7
325.21738	74.2
326.22003	1.7
343.39230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2174
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
58.46193	0.4
59.01368	0.5
61.98820	0.7
62.02088	0.4
62.94646	0.4
64.38138	0.4
64.83398	0.4
66.34497	0.4
72.11943	0.4
77.39224	0.4
100.43268	0.4
116.92787	0.5
127.75986	0.4
133.06552	2.5
134.04707	2.0
136.30014	0.5
137.83617	0.5
147.08124	2.0
149.09698	93.8
150.10022	0.6
163.11270	100.0
173.25581	0.4
173.72598	0.5
183.01193	8.5
205.61902	0.5
295.91052	0.5
307.26474	0.6
325.18353	10.8
325.21753	72.6
325.27167	5.1
326.22067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.8
59.01377	9.0
61.28753	1.9
83.05009	2.0
97.06602	2.3
99.08136	3.5
107.84547	1.7
121.26822	1.7
125.09697	3.7
134.04718	13.7
139.11285	11.1
151.11302	12.9
171.10271	9.8
183.01360	3.4
191.14444	9.8
207.54805	2.0
209.15515	2.1
223.14716	2.1
239.16675	2.0
275.20248	3.8
293.21234	23.2
307.22794	18.4
314.33453	1.7
325.20407	3.6
325.23874	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.275
Annotation	2-Oxophytanic acid
Peak:m/z	Relative Intensity
54.07309	0.4
57.03429	0.4
67.56532	0.3
69.03452	2.0
71.05019	10.9
83.05039	0.5
85.24625	0.4
128.57533	0.4
183.01196	8.2
189.52657	0.4
197.02827	0.5
199.17650	0.4
204.98106	0.5
239.23848	0.9
253.25394	1.7
279.23587	0.6
279.26987	3.6
281.25458	1.0
281.28516	20.8
325.18768	10.2
325.27509	100.0
326.27747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.275
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
51.06773	0.4
59.01385	100.0
61.98847	0.5
63.69761	0.4
75.81047	0.5
76.53220	0.5
92.11729	1.6
93.51148	0.4
107.96760	0.5
134.04781	1.0
138.19740	0.5
143.44765	0.5
165.91281	0.5
180.64037	0.6
183.01213	7.5
279.23248	3.2
280.27408	0.8
281.27591	3.3
325.18527	10.1
325.27484	51.2
326.27765	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2749
Annotation	2-Oxophytanic acid
Peak:m/z	Relative Intensity
52.30573	0.4
54.28989	0.4
57.03431	0.5
59.01385	0.6
61.98832	0.8
69.03447	2.3
71.05023	8.2
71.05398	0.7
75.29803	0.4
75.33863	0.4
77.09924	0.4
95.95152	0.4
116.92783	0.4
117.35723	0.4
154.92760	0.5
164.23354	0.4
175.98492	0.6
183.01201	9.2
253.25432	0.6
264.83749	0.5
265.25534	0.6
267.27103	0.8
279.26953	2.7
281.28470	13.2
325.18671	10.5
325.27490	100.0
326.18896	0.7
326.27875	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.275
Annotation	11,15-Epoxy-3(20)-phytene-1,2-diol
Peak:m/z	Relative Intensity
57.03189	1.5
57.03453	27.6
59.01366	1.2
69.03448	2.4
71.11125	1.0
72.67265	0.9
75.53118	0.9
77.41292	0.9
84.79384	0.9
121.02768	1.0
130.47929	1.1
134.04704	7.0
170.00339	1.4
177.00909	1.0
183.01201	33.0
184.01723	1.3
184.23500	1.2
216.00902	1.6
238.10619	1.1
265.25366	69.5
266.25583	1.7
270.55783	1.2
325.18515	50.4
325.27472	100.0
326.18774	4.4
326.27960	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	325.2749
Annotation	2-Oxophytanic acid
Peak:m/z	Relative Intensity
52.06390	1.3
54.82856	1.3
59.01385	2.1
61.98829	1.3
67.63390	1.2
71.05013	3.2
76.92226	1.1
80.85847	1.2
115.54272	1.3
134.04713	6.6
144.54314	1.5
183.01225	19.5
199.13434	1.8
237.22295	7.9
239.23813	100.0
259.48798	1.3
279.26999	11.6
281.28452	48.8
307.26373	1.9
325.18445	24.8
325.27490	66.6
326.18652	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	326.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70805	0.4
56.75587	0.4
59.01385	4.5
61.16828	0.4
65.43506	0.4
71.01359	1.0
72.00525	0.7
72.00903	13.6
73.02946	1.0
76.57628	0.5
79.08714	0.4
82.95410	5.0
84.35956	0.5
84.95116	4.3
85.02979	0.7
89.02422	1.0
91.05494	0.5
95.59391	0.5
101.02432	6.6
103.29680	0.5
107.03595	0.6
113.02444	0.6
131.03473	0.6
131.24477	0.5
134.04721	31.9
144.08215	0.7
147.04526	44.3
152.70143	0.5
161.04567	0.6
162.04430	0.5
164.07172	100.0
165.07480	0.9
178.88644	0.5
206.02823	0.5
236.09245	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	326.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33780	0.2
59.01379	1.1
60.19680	0.3
61.98835	0.4
88.04035	100.0
91.01020	0.3
92.12360	0.6
99.92578	0.3
116.92811	0.9
121.82997	0.3
134.04720	1.8
140.43498	0.3
184.01630	0.4
227.20180	1.8
228.20482	4.2
231.84854	0.2
268.72528	0.3
282.28180	0.4
326.18869	1.2
326.27054	34.0
327.12869	0.3
327.27527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Paeonoside
Peak:m/z	Relative Intensity
55.01870	0.7
57.03440	0.6
58.00589	1.1
59.01385	59.7
59.19163	0.6
59.45371	0.5
61.98841	4.3
66.82474	0.4
71.01381	27.9
72.99322	4.1
83.01366	1.1
83.19151	0.5
85.02954	5.6
87.00867	0.8
89.02439	22.0
94.06860	0.5
95.01374	2.5
96.96009	5.6
99.00859	0.7
101.02441	14.1
106.98574	0.6
113.02441	9.5
119.03495	9.7
119.05013	7.3
120.01289	0.7
121.02950	3.4
128.60370	0.5
134.04727	2.2
147.04524	100.0
161.04570	0.6
164.03505	0.7
165.05576	14.5
179.05614	0.7
217.14546	1.1
222.93405	0.6
230.47174	0.6
244.46474	0.6
289.16565	0.9
327.10895	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1816
Annotation	Botryoloic acid
Peak:m/z	Relative Intensity
51.64188	0.7
57.03453	1.0
59.01374	2.0
63.52973	0.7
71.01376	1.0
83.05026	5.8
85.02946	1.4
85.06557	0.9
90.21497	0.8
92.25951	0.9
97.06551	2.0
99.08132	0.9
101.06067	1.7
111.04491	4.6
125.09651	0.9
127.04007	3.5
135.05161	0.8
137.09669	0.9
153.12839	5.5
169.12384	2.0
171.10231	1.7
181.12346	5.3
183.13905	3.6
197.11821	1.3
199.13434	8.2
211.13457	3.8
215.12891	1.8
217.38002	0.8
228.13730	0.9
237.18567	1.7
251.00735	0.8
265.18124	8.5
268.67117	0.8
283.19150	100.0
291.19611	1.2
309.17136	11.0
309.20407	1.7
327.18088	9.4
327.21771	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	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03451	1.3
63.54557	0.5
69.03452	1.2
80.34792	0.5
83.05018	0.7
85.02949	7.8
87.65924	0.6
92.66074	0.5
95.04980	0.7
97.02965	0.6
97.06574	7.2
125.09680	1.3
127.11292	2.3
132.74364	0.5
137.09720	2.1
137.83214	0.6
153.67458	0.5
155.10738	0.6
157.50050	0.5
162.12459	0.5
165.12775	0.8
167.14474	1.0
171.10269	19.4
177.12723	0.9
183.13933	7.0
185.11838	1.2
193.12326	2.9
194.13123	0.6
195.80966	0.5
197.11815	0.6
209.11775	0.9
211.13412	27.5
221.11847	4.0
229.14445	18.6
239.12927	1.3
291.19604	4.5
309.20709	1.1
326.03882	0.6
327.21799	100.0
328.22217	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	327.2178
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
53.55040	0.9
53.76537	0.9
57.03441	5.5
58.00623	1.2
59.01374	4.5
69.03455	0.9
85.06587	1.2
87.04514	5.3
89.96164	1.4
97.02912	0.9
97.06557	2.0
99.08131	1.6
101.37748	0.9
110.43819	1.2
119.08643	1.1
125.09727	2.3
127.11263	1.2
137.09705	11.8
171.10258	39.6
185.11830	1.8
195.13893	5.2
197.11850	8.8
201.11394	7.4
211.13396	6.0
221.15402	2.3
223.13394	5.0
229.14366	1.5
239.16527	42.6
260.56125	0.9
291.19733	9.7
293.91800	1.1
309.20679	4.7
327.21790	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	327.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66462	0.5
57.12477	0.5
59.01373	2.2
61.98828	0.7
63.91280	0.5
74.10489	0.6
75.00858	0.7
185.00740	0.9
239.97632	0.6
281.24878	100.0
327.18271	3.9
327.28879	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	327.2905
Annotation	L-2-Hydroxyphytanate
Peak:m/z	Relative Intensity
53.67056	0.5
62.96779	0.6
79.34656	0.6
105.80347	0.7
114.38937	0.7
229.46379	0.8
233.42145	0.9
253.25443	1.1
264.22247	0.8
279.26978	5.9
281.28503	78.9
282.28842	1.4
309.27936	2.6
327.29074	100.0
328.29498	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	327.2908
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
54.82540	0.6
59.01386	100.0
69.06763	0.5
75.00874	7.8
89.61960	0.5
99.48462	0.5
167.84950	0.5
269.24866	2.7
327.29089	70.4
328.29529	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	329.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33347	0.8
57.71063	0.8
59.01385	60.9
62.01172	0.9
69.15757	0.9
70.62531	0.8
72.91469	0.9
87.00827	1.4
96.58567	0.9
108.17554	1.0
115.02499	1.5
117.00418	8.5
126.98833	1.0
143.01961	1.1
150.95560	1.0
159.01485	100.0
168.99860	1.5
187.00978	94.2
201.02562	14.4
221.61745	1.3
253.28487	1.2
329.02432	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	329.0668
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
50.81884	0.3
55.08422	0.3
56.34208	0.3
58.01308	0.3
58.19454	0.3
59.01383	0.7
65.00330	0.6
74.27930	0.3
85.56750	0.4
87.28628	0.4
93.40184	0.4
107.01400	0.4
127.11285	0.4
133.02979	0.7
151.00354	3.0
161.02437	18.4
171.04491	0.5
171.10266	0.6
183.04506	2.3
185.02397	5.3
187.00363	2.1
199.03973	4.2
201.01857	0.5
201.11349	3.0
203.03502	8.3
215.03493	1.9
227.03520	20.7
227.60052	0.5
229.01476	2.5
243.02982	9.3
255.03050	0.5
268.03726	0.6
271.02478	64.4
285.04135	3.3
297.04126	1.5
299.01978	100.0
300.02451	0.8
313.03543	6.7
314.04343	57.6
327.94614	0.4
328.22177	0.5
329.06683	77.1
329.23285	7.3
330.06863	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0881
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.85630	0.7
55.35302	0.7
57.03439	0.8
59.01373	3.7
60.00130	0.8
61.98817	5.6
71.01334	1.5
85.02942	1.9
87.00858	5.3
89.08215	0.9
101.02463	1.3
108.02169	89.5
111.00848	7.9
123.04509	31.5
141.54250	0.9
151.99916	2.1
152.01155	57.5
167.03482	100.0
181.10120	1.1
191.01988	5.2
329.08746	1.0
340.70441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98965	0.5
59.01385	100.0
61.98829	0.9
67.01495	0.4
67.62934	0.4
71.01376	3.3
73.02955	1.7
76.06390	0.4
76.86290	0.4
83.01406	0.7
85.02954	2.0
87.00887	0.7
96.96005	0.8
101.02455	2.8
113.02463	0.6
121.02975	0.7
144.90833	0.5
161.04665	2.6
167.03748	0.5
174.61263	0.5
175.39745	0.5
194.73096	0.5
269.10315	3.9
291.18195	0.8
306.22150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51366	4.1
59.01375	26.2
59.41332	4.8
61.98822	8.4
75.86115	5.2
86.97730	5.4
89.02324	5.8
114.00208	6.5
128.12201	5.4
139.72044	5.8
152.99533	12.5
197.93938	6.5
235.16980	45.6
260.86560	6.0
268.47516	6.1
275.20193	85.0
293.21222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72206	36.0
52.75909	35.0
59.01391	94.8
64.34931	46.9
70.15376	37.7
75.26131	38.5
89.13589	41.9
89.25159	45.8
89.43770	46.7
109.15389	42.8
124.42085	43.6
190.27312	47.9
277.48993	51.1
293.21307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2336
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
57.03442	0.6
58.00587	2.2
59.01387	3.4
65.47842	0.4
72.47050	0.5
72.99285	0.5
75.26934	0.4
84.33588	0.4
98.07998	0.6
99.08149	12.0
108.56657	0.5
110.35879	0.4
124.88793	0.5
127.07612	0.9
127.11309	0.5
129.09200	7.1
153.12880	0.6
160.37999	0.5
167.14375	0.4
169.12299	5.4
181.12360	5.3
183.13878	3.0
193.12350	2.0
197.11795	3.4
199.13417	20.0
211.13390	16.7
227.12900	0.8
229.14455	2.2
293.21222	5.6
311.22388	2.6
329.23352	100.0
330.23743	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	329.2337
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
53.80654	0.4
54.82266	0.6
57.03449	0.5
58.00591	2.4
59.01136	0.4
59.01385	4.9
75.07141	0.5
87.00832	0.7
87.71622	0.5
97.06573	0.9
99.08165	9.6
113.02464	0.4
113.09730	0.7
127.07624	0.8
127.11289	0.8
129.09207	5.6
139.11308	0.6
155.10748	0.6
155.14406	0.7
159.15878	0.5
169.12341	7.5
171.10275	4.8
173.91284	0.5
181.12338	4.9
183.13864	2.0
193.12355	2.0
197.11816	2.4
199.11562	0.8
199.13399	21.2
199.15172	0.9
201.11397	3.3
211.13416	12.3
227.12959	1.1
229.14488	0.8
275.20139	0.9
284.96887	0.6
293.21207	2.9
302.14136	0.5
311.22241	3.1
329.23367	100.0
330.23810	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
50.10489	0.5
52.24679	0.5
53.59717	0.5
58.00581	2.5
59.01385	5.7
60.06073	0.5
85.94627	0.6
88.11133	0.6
92.11707	0.7
99.08144	8.1
115.62720	0.6
116.04908	0.6
125.09687	1.3
127.11270	4.1
129.09187	6.3
139.11252	3.9
155.10785	0.8
169.12354	3.9
171.10255	14.4
181.12343	4.0
183.13857	0.7
191.50978	0.7
197.11887	0.8
199.13380	11.1
201.11322	10.3
211.13387	9.6
227.78889	0.7
229.14561	0.9
249.22206	0.7
275.20230	1.3
293.21204	4.1
311.22293	4.0
329.23346	100.0
330.23718	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	329.2334
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
51.32334	0.5
57.03444	1.1
61.84169	0.4
74.49572	0.4
74.53661	0.5
75.30277	0.5
76.56065	0.5
92.62744	0.6
97.06535	0.6
99.08142	9.0
125.06737	0.6
125.09682	1.2
127.11225	4.3
139.11278	9.5
165.12813	0.8
167.10617	0.7
167.14384	1.0
171.10257	20.3
183.13918	6.4
193.12357	2.3
197.11768	0.6
197.80164	0.6
198.10826	0.6
209.11871	1.4
211.13399	34.2
229.14447	18.1
266.71219	0.6
311.22424	1.0
329.23358	100.0
330.23737	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	331.0672
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.82928	1.0
55.62775	0.9
59.01375	2.4
59.41186	0.8
64.65419	0.9
69.03444	4.7
77.87860	1.0
78.95890	1.8
81.03439	1.7
83.01353	1.4
85.02939	1.4
87.00873	1.8
88.98782	7.1
89.02441	5.2
97.02956	7.0
99.92583	1.3
111.00945	1.2
113.00651	1.1
123.00883	7.0
124.01646	26.0
125.02426	97.3
143.97089	1.1
149.99582	48.4
151.00342	4.9
153.01935	1.8
156.89474	13.5
156.98203	1.4
160.97675	1.3
167.03453	1.6
168.00632	90.7
169.01349	6.4
169.02643	1.0
169.38939	1.1
195.06622	1.2
195.63904	1.0
297.23401	1.3
313.05643	10.1
331.06747	100.0
332.07382	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	331.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50874	3.1
58.51762	3.2
59.01383	20.0
63.35818	3.2
74.02483	42.6
82.54779	3.9
87.28938	3.6
95.12381	3.5
97.60654	3.9
101.19103	3.5
111.05637	7.6
131.64795	3.6
144.89359	3.7
166.12352	6.0
168.46962	4.0
180.13945	8.2
196.13469	8.3
253.15538	74.3
285.14618	7.0
297.14542	100.0
328.35715	5.5
331.13428	28.4
331.17111	4.4
331.21329	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	331.2492
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
50.50955	0.1
54.42105	0.1
57.03444	0.2
58.00592	1.1
59.01386	0.2
60.70903	0.2
65.59135	0.2
97.06602	0.2
125.09733	1.8
127.11271	7.7
139.11238	0.3
141.12917	0.2
143.10760	1.0
153.09248	0.3
155.10783	3.0
155.14282	0.2
157.12329	4.5
171.10255	3.0
186.99713	0.2
187.13347	1.5
199.09982	0.2
201.11269	1.5
283.22745	0.3
294.93942	0.2
295.22787	1.8
311.22275	0.8
313.20197	0.4
313.23880	9.8
329.23325	4.8
329.26846	0.3
331.24915	100.0
332.25146	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	331.9478
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67928	0.9
62.70707	0.8
64.89420	1.0
68.65936	0.9
84.75385	0.9
84.93873	1.3
87.00850	1.0
99.92574	100.0
100.93363	12.2
101.94120	1.7
114.94920	2.1
115.92066	99.2
116.92085	2.0
116.92850	32.6
117.93649	5.0
119.77054	1.1
126.94916	1.1
127.95737	4.7
131.91585	1.1
142.94418	19.8
143.95175	1.2
153.97302	1.8
170.93932	1.8
171.94684	4.7
171.98340	5.3
199.94188	11.2
215.47891	1.0
225.95724	28.1
331.94824	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	332.1254
Annotation	Oglufanide
Peak:m/z	Relative Intensity
50.16949	0.4
52.09694	0.4
54.58705	0.5
56.15641	0.4
58.02967	1.0
59.01385	0.9
59.64106	0.5
61.98834	31.4
67.87975	0.5
68.06321	0.5
70.02970	0.5
72.00905	5.7
74.02464	12.3
78.04764	0.5
82.02990	4.2
84.04523	4.5
84.07211	0.5
85.04095	2.2
92.11625	0.9
97.04109	0.7
101.07201	1.3
109.04085	2.1
112.04043	1.0
113.03558	0.7
116.05051	28.4
123.05647	3.2
127.05133	12.9
128.03528	100.0
130.06573	0.8
141.06712	8.0
142.06621	7.0
159.09294	6.0
167.04622	12.7
167.38821	0.5
185.05704	5.2
186.05585	1.0
203.06363	1.3
203.08279	41.6
270.12552	2.6
275.44196	0.5
314.11542	13.0
318.67050	0.5
332.12607	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	334.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42785	1.0
59.01387	4.7
62.46240	0.8
71.01373	19.6
71.05015	18.5
85.97579	0.9
88.04029	100.0
96.96002	1.7
99.04496	5.0
112.98576	1.0
114.93407	1.1
115.00359	10.7
116.07151	4.0
123.94742	1.2
129.05638	1.2
140.03438	1.1
146.08232	50.1
155.24339	1.1
159.89380	1.5
217.95206	1.3
218.10341	82.1
219.10680	1.3
324.20636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1509
Annotation	Validoxylamine A
Peak:m/z	Relative Intensity
50.47375	1.0
52.09261	1.2
55.01870	1.9
56.23608	1.0
58.02965	4.9
59.01107	2.0
59.01384	42.8
61.98822	2.8
64.96972	0.9
70.76468	1.0
71.01360	6.0
82.02940	2.4
83.01374	2.5
85.06576	19.6
89.02429	9.6
94.66674	1.1
96.96002	1.3
100.04035	68.9
101.02434	11.9
112.04076	1.3
113.06090	2.0
119.03493	9.9
120.99679	1.4
124.28162	1.2
131.07137	61.1
133.02988	1.1
142.05087	2.7
173.08179	1.6
214.10898	1.6
292.14078	1.5
334.15103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91491	0.1
59.01387	0.2
61.98832	100.0
92.12411	0.2
94.94520	0.1
109.54396	0.2
142.36681	0.2
212.54887	0.2
250.52254	0.2
254.25372	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.9
57.45939	2.8
58.00600	2.8
59.01383	97.9
61.98823	2.9
71.01379	47.8
85.02941	19.6
86.02491	2.4
88.04033	5.0
89.02432	45.0
95.01366	2.2
101.02435	30.6
113.02412	17.5
119.03492	13.5
119.05338	11.9
125.27412	2.5
128.03545	4.3
150.14421	3.1
155.07104	9.9
160.89262	13.5
161.89430	3.7
231.43713	2.4
234.43250	2.7
335.13489	100.0
344.89307	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	335.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00323	1.0
59.01386	70.2
61.98827	1.7
65.26834	0.8
70.02969	1.1
70.96954	1.1
71.01382	28.6
72.99323	1.0
73.02931	2.0
83.01376	1.2
84.40402	0.9
85.02948	6.7
86.02460	2.6
87.00895	1.4
89.02444	22.5
92.12345	1.4
95.01344	1.9
96.67239	1.3
96.96030	1.0
98.02441	2.1
100.61201	1.2
101.02436	13.9
110.02503	1.4
113.02441	10.5
119.03498	9.2
127.40190	1.1
132.04544	12.8
144.04578	1.7
155.10789	22.7
158.06123	1.7
160.07111	1.1
173.11839	5.8
193.83714	1.0
219.07663	2.6
248.83505	1.2
317.07727	1.6
335.08896	2.1
335.17160	100.0
336.17172	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	335.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
59.01386	27.9
61.98829	10.7
78.41878	2.7
93.03461	34.8
95.05029	3.0
96.95978	2.5
108.04584	6.3
109.02946	2.5
120.04498	4.5
121.02959	34.6
123.04579	3.5
124.05315	2.4
133.02951	2.5
135.04524	6.3
139.07599	4.4
147.08157	21.5
148.04024	9.9
149.02448	90.6
158.07338	3.2
164.04802	40.6
164.08447	4.8
165.09215	37.3
173.09700	6.3
177.01807	3.3
178.06403	4.0
179.07159	66.2
191.02200	3.9
191.07120	3.4
191.10767	36.6
209.11908	31.9
219.05417	4.7
220.06123	4.4
234.07724	4.8
235.10927	3.9
253.10808	76.7
263.10260	4.7
277.12903	5.6
284.32690	2.7
288.09998	6.3
293.15204	5.5
305.12567	68.9
319.14346	5.5
320.14960	48.9
327.47452	2.8
335.17288	100.0
335.20795	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	335.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08950	0.3
59.01387	19.7
59.43714	0.3
61.98831	0.4
65.81377	0.3
66.73212	0.3
70.66668	0.3
76.67100	0.3
106.49544	0.4
113.91829	0.5
172.43665	0.3
175.46944	0.3
175.48543	0.4
181.25563	0.4
213.70665	0.4
222.91626	0.3
252.54709	0.3
253.21735	100.0
254.22113	2.1
335.22067	20.2
336.22021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77631	0.4
54.78043	0.3
54.83084	0.5
56.49828	0.4
59.01391	18.4
61.98814	0.7
82.79478	0.4
83.05000	0.7
88.43181	0.4
98.59026	0.4
116.92879	0.5
131.34065	0.4
134.43289	0.4
135.49902	0.4
165.40952	0.4
202.33232	0.4
235.20671	0.7
253.21722	100.0
254.21999	3.6
271.33444	0.4
284.16095	0.4
335.15723	0.5
335.22073	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	335.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53695	0.4
59.01389	0.5
61.98833	0.6
63.20887	0.5
64.78157	0.5
116.92777	0.5
125.78367	0.5
129.40790	0.6
131.88438	0.6
150.57228	0.5
151.07915	0.6
189.96309	0.5
225.22270	0.8
234.19351	0.6
251.23877	3.4
253.25378	65.6
281.24832	1.1
299.25928	100.0
300.26370	0.6
335.26019	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	335.2958
Annotation	7,7-dimethyl-5,8-Eicosadienoic Acid
Peak:m/z	Relative Intensity
53.23005	0.9
55.43908	0.8
56.15847	0.8
61.70956	0.9
73.79265	0.9
74.27054	0.9
100.80577	1.1
135.99437	1.0
137.38380	0.9
139.09953	1.0
178.95940	1.0
229.60645	1.1
335.29599	100.0
336.29660	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96247	1.1
54.82624	1.0
58.02988	5.1
58.91007	1.1
59.01388	7.5
67.01882	2.3
72.34040	1.2
76.01427	1.3
79.01905	1.5
81.03452	24.3
95.01400	1.8
103.57525	1.4
108.04551	100.0
135.00854	5.5
152.01195	1.9
152.03525	15.9
156.13985	1.6
167.03468	12.6
168.13976	5.6
185.01938	1.4
194.93738	1.4
260.16544	16.0
273.86154	1.4
292.19193	1.8
292.57455	1.4
304.15695	5.8
336.18307	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	336.2546
Annotation	Linoleoyl glycine
Peak:m/z	Relative Intensity
59.01382	1.8
61.27420	0.3
61.98828	0.4
72.04534	4.7
74.02467	100.0
84.04502	0.5
114.19394	0.4
121.28594	0.3
160.81763	0.5
168.53891	0.5
176.39018	0.4
336.25476	46.9
337.25620	0.8
343.12659	0.4
346.46039	0.4
347.59283	0.4
356.68561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.0
59.01367	5.8
61.98817	2.5
65.06573	1.1
74.11634	1.5
77.64864	1.4
86.48976	1.3
89.02419	1.2
99.92570	100.0
100.92709	1.4
100.93331	9.1
115.92065	85.2
116.92139	1.4
116.92860	16.6
133.06602	1.3
135.04449	1.7
135.08122	2.2
149.09714	2.3
175.04002	4.3
175.07684	1.7
189.09200	5.4
191.10757	2.5
195.13863	1.9
209.72058	1.3
215.98865	14.6
217.08656	6.4
219.98387	2.0
231.01257	3.0
233.99982	1.4
239.12814	2.4
242.07625	1.6
247.97800	1.5
249.02303	3.1
263.00186	1.6
264.24219	1.4
275.00140	28.3
275.03632	6.0
299.90921	1.3
319.02719	26.8
337.03781	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.9
58.85249	0.5
59.01392	17.4
65.54871	0.4
67.01885	0.6
68.99799	0.9
70.56288	0.4
71.01038	0.8
71.01388	14.0
72.99303	4.3
72.99626	0.5
73.02952	1.2
75.00874	13.4
75.51150	0.4
83.69528	0.4
85.02953	15.6
87.00871	4.6
87.04513	100.0
89.02438	3.9
95.01376	3.8
99.00878	8.2
103.00401	0.8
111.00884	0.7
113.02441	15.7
114.93699	0.5
115.00344	2.1
117.01921	2.5
129.01923	0.8
136.20926	0.5
139.46072	0.6
175.02515	1.0
229.52686	0.5
231.05058	1.2
237.49681	0.6
249.06148	10.5
319.10327	2.7
337.11423	48.0
337.14716	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03162	0.6
55.01891	0.9
57.03456	0.8
57.68147	0.5
58.00594	2.9
59.01394	100.0
61.08842	0.7
71.01391	40.8
72.99300	2.9
73.02928	0.8
75.00877	0.6
76.24277	0.6
76.58158	0.7
77.12106	0.6
82.17475	0.6
83.01380	3.3
85.02956	11.2
87.00874	0.8
89.02444	44.2
95.01360	3.9
101.02441	23.0
113.01703	1.1
113.02448	16.7
113.09750	0.8
119.03488	17.1
125.31351	0.7
131.03473	0.8
143.03610	0.6
150.65079	0.9
159.74655	0.7
175.09688	0.8
179.05647	3.7
337.15073	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18699	0.4
55.89646	0.4
59.01383	100.0
64.31787	0.5
71.01392	3.4
73.02942	0.6
80.76274	0.4
83.01432	0.5
85.02937	1.1
87.04511	0.6
89.02438	1.8
98.02924	0.4
101.02444	2.7
105.79623	0.5
105.86223	0.4
113.02461	1.8
128.03555	0.8
136.68369	0.5
148.04390	0.5
157.05099	1.1
161.04633	2.0
162.89354	3.8
277.12897	7.5
312.68103	0.5
318.90149	0.5
337.11465	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	337.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36852	0.6
55.01869	1.0
58.00586	1.4
59.01385	100.0
61.98835	1.0
64.24599	0.6
66.65871	0.6
71.01381	38.6
72.99290	1.7
73.02922	1.1
79.49061	0.8
83.01390	1.8
85.02952	9.9
88.37543	0.7
89.02437	35.0
94.06619	1.1
95.01351	3.7
96.95980	1.0
96.96954	1.1
101.02432	20.8
111.92044	0.8
113.02453	15.1
114.29196	0.7
119.03483	16.2
120.01137	0.8
121.46462	0.7
131.19754	0.7
136.07657	0.9
143.03514	1.0
161.04558	1.2
190.03972	0.8
337.15082	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64579	6.4
54.24163	6.9
59.01389	56.9
62.06693	7.3
69.66007	6.7
78.11936	8.6
94.93626	13.3
95.44628	7.2
110.45431	7.7
146.81270	8.3
224.44850	7.6
241.97165	7.4
255.23331	10.9
257.36688	9.8
337.20175	14.2
337.23801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.3114
Annotation	13(Z)-Docosenoic Acid
Peak:m/z	Relative Intensity
54.83042	0.4
57.44538	0.4
59.01376	1.2
69.73118	0.5
79.62075	0.5
134.94255	0.5
147.04405	0.5
153.04639	0.6
255.23294	5.4
289.66544	0.5
289.74380	0.5
329.59915	0.6
337.31165	100.0
338.31464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2329
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.83155	0.5
59.01360	0.9
66.26567	0.5
68.16975	0.5
73.04037	0.6
107.05011	1.1
116.92841	0.8
119.05038	0.7
132.17110	0.6
159.38593	0.5
163.11279	48.3
175.11217	1.4
176.11980	0.7
177.12820	6.2
183.01213	9.6
189.59550	0.6
190.09975	0.8
197.53912	0.6
201.13153	0.6
208.11099	5.0
281.15399	3.4
282.16345	6.9
283.16949	6.8
295.26419	49.5
339.19763	10.4
339.23019	100.0
340.20038	0.8
340.23526	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2329
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
50.38696	0.1
53.48276	0.1
65.33830	0.1
75.92184	0.1
81.70118	0.1
84.61402	0.2
91.19702	0.1
92.09568	0.1
92.11761	0.2
107.04999	0.2
147.08104	0.3
147.94968	0.1
163.11273	100.0
255.11502	0.2
284.55298	0.2
289.21161	0.2
339.23297	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2545
Annotation	7alpha,8-dihydroxy-5beta,8betaH,9betaH,10alpha-Labdan-15-oic acid
Peak:m/z	Relative Intensity
59.01376	1.7
75.32202	0.8
78.60186	0.9
79.95720	1.1
87.40103	1.0
94.10371	1.0
98.02493	1.0
116.92820	1.6
119.05057	1.3
128.30537	1.0
149.09695	1.9
163.11304	52.9
183.01233	24.7
279.22903	1.3
295.26447	100.0
296.26755	4.6
339.19968	32.8
339.25360	52.9
339.29074	2.0
340.20306	1.6
340.25537	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	339.2545
Annotation	7alpha,8-dihydroxy-5beta,8betaH,9betaH,10alpha-Labdan-15-oic acid
Peak:m/z	Relative Intensity
51.54733	1.6
58.01618	1.8
59.01383	4.9
61.02835	1.8
67.61174	1.7
92.65548	2.1
100.47970	1.9
116.92867	2.3
119.05049	2.5
144.46498	2.2
149.09761	8.4
149.35410	1.9
163.11273	10.7
170.27841	2.3
177.12904	5.0
183.01207	33.9
207.12981	2.2
228.99673	2.2
277.21667	16.9
278.22076	9.7
279.22549	20.0
295.26456	100.0
337.08313	2.2
339.19977	56.2
339.25305	47.2
339.29053	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	340.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96743	0.2
59.01391	1.0
60.19158	0.2
61.98841	100.0
63.59949	0.2
72.43111	0.2
79.02015	0.2
80.29908	0.2
81.65372	0.2
104.67532	0.2
187.51347	0.3
269.44736	0.3
329.87122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03445	1.1
58.00583	1.1
58.02967	0.9
59.01385	41.4
70.02958	3.8
71.01381	25.0
71.05002	5.7
72.99285	0.8
73.02944	2.7
74.66120	0.6
76.58009	0.7
78.95904	4.9
80.33977	0.6
83.01373	1.8
85.02948	6.2
87.00857	3.1
87.05615	3.1
89.02438	22.9
95.01372	1.1
95.92856	1.2
95.93446	26.2
96.94240	6.3
96.95966	1.4
96.96937	0.9
97.04012	0.7
99.00855	0.7
99.04499	3.5
99.92550	0.9
101.02427	14.5
103.92017	1.1
106.64039	0.6
113.02445	7.5
115.05105	3.4
117.05501	0.7
119.03506	10.3
119.24323	0.7
122.95780	1.6
130.03290	1.6
135.04498	1.7
137.02417	0.8
139.98471	5.1
146.08224	18.5
161.04552	1.5
179.03494	1.2
179.05554	3.6
211.02164	6.7
239.01559	4.0
258.86255	0.7
269.91641	0.8
281.24741	1.2
341.08545	100.0
342.09058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20364	0.7
55.01854	1.5
55.51114	0.8
56.97752	0.7
57.03428	1.9
58.00572	1.2
59.01385	100.0
59.01669	4.0
71.01380	55.4
71.04984	1.6
72.99267	5.4
73.02888	6.2
75.00860	0.8
75.32805	0.9
75.93577	0.7
78.95859	4.8
79.58316	0.8
81.39291	0.9
83.01351	3.7
85.02947	16.1
87.00818	5.5
89.02440	58.6
91.02159	5.6
95.01310	4.2
96.95955	1.6
99.00809	1.4
99.04413	1.2
101.02433	29.9
107.04974	1.6
113.02450	20.8
119.03488	18.0
133.01367	1.3
137.53180	1.0
143.03400	1.6
149.04439	1.1
161.04553	9.6
179.05576	10.6
231.58900	1.0
301.19864	1.0
341.08902	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	341.0914
Annotation	Caulersin
Peak:m/z	Relative Intensity
55.01873	1.2
57.03448	1.4
57.28929	0.9
58.00590	1.6
59.01385	100.0
65.23298	0.8
71.01380	51.1
71.05022	1.9
72.99290	4.1
73.02923	3.4
73.65198	0.8
78.95888	1.0
83.01369	3.8
85.02943	13.8
87.00873	3.7
89.02439	45.0
89.18854	0.8
95.01357	4.3
101.02435	29.7
113.02435	18.8
119.03497	19.5
119.60555	1.0
135.14264	1.0
143.03485	0.9
146.24109	0.8
149.04514	1.1
161.04543	1.9
165.99240	0.9
171.52705	1.0
173.06166	0.8
179.03885	1.2
179.05614	4.1
213.67690	1.0
264.96756	0.9
267.24799	0.9
281.24744	1.5
336.64377	0.9
341.09052	89.1
347.64407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
57.03478	0.9
58.00597	3.3
59.01393	100.0
62.52375	0.6
63.44815	0.6
71.01387	61.5
72.99306	3.1
73.02952	5.9
83.01388	1.7
85.02951	11.5
87.00862	3.0
89.02440	71.6
92.11829	1.2
95.01360	4.0
97.02937	3.7
99.00919	1.2
101.02443	27.2
103.54668	0.8
113.02444	22.4
119.03490	21.2
131.03508	1.6
136.16542	0.7
143.03531	3.1
149.04514	1.1
161.04514	8.9
179.05611	22.6
203.04633	0.6
221.06618	1.0
341.10892	34.7
341.15024	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	341.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54134	1.1
57.03448	1.6
58.00596	2.2
58.10706	1.1
59.01387	100.0
65.98916	1.1
71.01382	58.1
72.99316	2.3
73.02931	3.0
78.95908	11.6
81.99737	1.4
83.01372	2.0
85.02946	14.1
87.00847	2.3
89.02441	67.1
92.12435	2.6
95.01359	1.6
96.95995	2.1
96.96964	17.8
97.02924	4.7
99.00869	1.3
100.21913	1.2
101.02432	24.5
101.10722	1.4
111.00800	1.2
113.02444	17.1
115.00359	6.5
119.03496	22.9
131.03473	2.9
133.01414	9.3
143.03531	2.6
149.04546	1.9
161.04518	6.6
179.05611	21.3
202.17151	1.3
300.66864	1.5
304.27524	1.5
341.11218	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43021	4.1
53.98832	3.9
57.03448	6.7
58.91716	3.7
59.01389	33.4
62.12649	4.1
62.90263	3.9
71.01379	17.1
73.02950	5.5
79.15601	3.4
81.03448	16.5
83.05025	67.8
87.04481	5.1
89.02441	9.4
92.12344	7.0
101.02454	7.1
110.03753	8.3
112.73829	4.3
113.02417	5.0
125.09729	5.4
127.11293	3.9
139.07629	31.5
162.03178	5.8
165.09097	4.2
171.10284	7.1
175.97318	3.7
177.05629	4.6
197.11888	5.7
201.11328	100.0
244.73714	4.4
254.18594	4.5
265.14502	4.1
275.16583	5.2
281.25079	4.7
287.16534	4.0
305.17572	9.2
340.64420	5.1
341.19452	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	341.2486
Annotation	Nostocyclyne A
Peak:m/z	Relative Intensity
52.02022	0.7
59.01370	4.1
70.44490	0.7
81.03439	5.2
89.02422	1.9
108.02062	0.8
122.03737	11.1
123.04506	1.5
125.09635	0.8
135.04521	17.8
137.02452	1.1
137.60284	0.8
149.06105	8.1
163.07584	0.8
170.98166	0.8
177.09155	1.2
178.65273	1.1
191.10802	1.3
253.43213	0.9
281.24860	3.5
299.23849	1.2
341.24869	100.0
342.25266	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2697
Annotation	Eicosanedioic acid
Peak:m/z	Relative Intensity
52.55469	0.9
54.82658	1.1
57.03459	24.4
58.26543	0.9
59.01387	7.7
69.03470	1.2
70.82443	0.9
71.01362	2.5
71.05013	1.2
74.32299	1.0
78.70763	0.9
85.06586	1.5
89.02428	2.4
101.06133	1.0
102.64965	0.9
116.92837	1.4
125.09711	2.4
127.11323	2.1
127.93280	1.2
139.11285	5.7
141.12842	16.8
155.14386	1.7
157.12314	4.4
167.14371	1.3
169.12306	11.7
185.15454	52.0
197.15456	5.3
199.00800	1.3
213.18599	4.7
225.18672	5.5
279.23218	2.1
281.24838	7.8
295.26422	4.8
297.27975	10.6
341.11099	1.2
341.18027	5.0
341.26965	100.0
342.27417	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	342.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78328	0.2
53.41271	0.2
54.82497	0.2
57.03467	0.3
59.01386	11.0
61.98825	0.4
64.71083	0.2
71.01385	9.2
72.99313	4.2
73.02922	0.4
78.03487	0.2
83.01363	0.4
85.02956	1.5
86.49593	0.2
89.02438	7.1
89.89751	0.3
89.93591	0.2
92.56641	0.3
95.01350	0.4
101.02456	2.0
102.54135	0.2
107.03766	1.0
108.04558	37.5
113.02453	1.7
114.05598	1.0
118.02989	6.1
119.03460	1.0
122.02515	0.3
124.04082	0.5
134.02483	100.0
135.02861	0.3
143.03531	1.3
144.04617	0.3
162.01985	7.3
162.05595	5.1
165.89299	0.2
166.08748	1.3
173.30986	0.3
180.03018	0.5
180.06682	8.0
227.14040	0.5
342.11975	12.1
342.16196	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	18.8
61.98823	1.0
71.01386	13.0
72.99311	4.4
74.69419	0.5
77.21286	0.5
85.02949	2.1
87.00881	0.6
89.02449	11.8
99.00896	0.8
100.39284	0.5
101.02427	3.7
107.03781	1.0
108.04564	86.1
109.04929	0.6
113.02451	2.3
114.05598	0.7
118.02995	13.3
119.03479	2.1
124.04031	1.0
133.13881	0.5
134.02483	100.0
134.06160	1.2
135.02849	1.3
143.03453	2.0
144.04567	0.9
162.01965	6.8
162.05615	7.8
166.08788	1.3
180.03119	0.7
180.06667	25.3
199.16362	0.6
233.06665	1.3
263.54611	0.6
303.01831	0.6
315.14471	0.5
342.11972	25.0
342.16266	1.3
343.12845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	17.3
59.85166	0.5
61.98831	1.5
66.33333	0.5
69.01825	0.6
71.01385	15.3
72.99319	3.5
85.02962	2.6
86.52123	0.6
89.02435	12.7
98.02462	2.5
101.02438	3.8
106.46391	0.8
107.03780	1.2
108.04551	100.0
113.02438	1.4
113.17922	0.6
114.05608	1.1
118.02981	13.4
119.03505	1.3
124.04021	0.8
134.02477	87.0
135.02818	0.8
143.03499	2.7
162.01978	5.9
162.05603	9.1
166.08760	2.7
180.06674	34.5
210.71387	0.6
233.06554	0.9
253.01288	0.7
342.08087	1.1
342.12021	25.5
342.16211	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	343.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42723	0.8
55.78405	0.8
59.01382	100.0
62.17453	0.8
63.40030	0.8
64.34778	1.0
64.58423	0.8
65.56525	0.9
67.71268	0.9
78.95898	8.4
96.95998	5.5
136.94017	1.2
145.09760	1.1
152.99548	1.1
157.03539	5.5
159.01453	6.0
168.95355	1.1
171.00586	2.0
178.96083	1.5
201.02557	85.1
277.78818	1.1
304.94736	1.1
306.96982	1.3
322.02560	1.0
343.03790	2.2
343.09857	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	343.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22316	0.4
57.03454	32.9
57.67072	0.4
59.01371	3.0
61.79432	0.5
61.98833	1.1
66.80618	0.4
71.01378	0.7
72.99316	1.1
89.02477	0.6
93.03425	1.1
96.96031	0.7
101.02429	6.1
107.58789	0.6
108.87892	0.5
119.05020	5.2
121.33116	0.5
125.03558	100.0
135.04485	2.3
136.41310	0.6
137.06078	0.7
163.04063	4.9
164.07166	1.2
181.05060	10.9
241.08385	1.1
283.26599	0.6
343.10568	4.4
359.23486	0.5
365.62653	0.5
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
55.29036	1.2
59.01392	18.9
60.00827	1.0
67.03019	7.2
68.02520	6.3
71.01373	1.6
72.57831	1.5
75.98856	1.2
78.55113	1.3
79.56963	1.2
85.02957	1.6
87.54923	1.3
91.82701	1.3
92.05045	91.0
95.06158	2.5
97.21263	1.4
101.02474	1.8
106.04102	8.4
109.04054	1.7
111.03109	15.5
115.33090	1.5
123.00881	1.8
136.04024	59.8
139.04025	1.5
148.04047	38.2
152.04654	1.8
157.07703	9.6
163.06268	17.7
172.75302	1.5
234.86674	1.6
258.08768	20.6
273.09769	2.9
300.11032	100.0
343.10361	1.7
346.67389	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	343.122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33748	0.7
51.15509	0.8
52.46725	0.8
53.13928	0.8
57.03442	1.2
59.01381	24.1
64.53498	0.7
64.74120	1.0
73.02914	1.3
73.70639	0.8
74.57020	0.7
75.98740	0.8
101.02395	1.0
116.92850	1.8
120.99636	100.0
121.02928	1.2
149.22592	0.9
169.06909	1.1
230.33672	0.8
237.09546	1.3
248.42122	0.9
343.12244	4.7
343.21335	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	343.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.3
59.01385	100.0
61.98829	1.2
71.01382	3.9
72.04335	0.3
80.96556	0.5
85.02966	0.4
85.42884	0.2
89.02431	4.7
101.02453	1.4
109.03050	0.3
113.02470	1.5
116.92870	0.4
119.03497	1.4
120.99662	0.3
154.58578	0.3
179.05617	0.4
283.26465	0.3
366.51636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2492
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.39332	1.4
59.01387	11.3
60.91432	1.5
69.03071	1.4
83.05042	1.9
91.72321	1.6
99.08150	13.9
101.74313	1.6
124.69547	1.5
125.09722	3.0
130.71716	1.6
134.22496	1.6
137.09708	1.5
162.78358	1.6
171.10231	7.7
193.12355	20.0
201.02538	2.6
211.13307	5.5
225.15005	27.6
243.15999	10.7
259.38892	1.5
293.21130	1.9
307.19196	2.1
311.22263	2.3
325.55460	1.8
343.24905	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	343.2493
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01385	12.9
62.87405	1.0
66.20671	1.0
67.15292	1.2
73.12043	1.3
81.05187	1.2
83.11130	1.4
85.45948	1.2
88.38532	1.3
92.11758	1.4
99.08157	12.6
123.34727	1.1
125.09686	1.9
137.09709	1.9
143.92256	1.2
149.13397	1.3
150.71300	1.2
151.10181	1.1
171.10260	20.2
193.12317	19.4
193.17834	1.3
201.02518	5.3
211.13351	5.5
214.54623	1.3
225.14967	29.8
243.15964	7.3
283.26495	2.4
343.24915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
54.76484	1.0
59.01377	14.7
73.39633	1.2
74.58931	1.1
99.08144	2.6
121.10205	2.9
125.09682	1.8
133.65588	1.4
139.11272	2.5
149.93533	1.2
153.09235	1.1
171.08812	1.8
171.10258	41.4
176.63904	1.2
188.36848	1.3
193.10722	1.1
193.12279	11.0
201.02576	6.1
211.13397	2.4
225.14925	12.7
226.02702	3.0
229.93925	1.2
241.04977	1.5
243.15953	2.9
255.93852	1.6
268.65433	1.2
275.85181	1.4
293.21210	1.4
313.03604	6.8
328.05850	2.5
343.08240	2.8
343.24890	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	343.2643
Annotation	Cannabidiol dimethyl ether
Peak:m/z	Relative Intensity
55.79396	0.7
59.01379	1.6
62.06554	0.7
63.89190	0.7
72.99286	3.2
81.03430	4.4
88.22652	0.6
122.03725	3.4
135.04489	6.3
149.06032	0.9
163.07489	0.9
164.00143	0.8
283.26343	6.3
301.25397	6.1
343.26364	100.0
344.26764	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	343.2857
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
59.01377	1.3
64.34459	0.6
70.77029	0.6
72.19900	0.6
72.99306	53.1
73.48054	0.6
75.00452	0.9
75.00865	20.2
83.44720	0.7
92.12403	2.3
93.18799	0.6
106.37652	0.6
143.24716	0.6
173.09421	0.7
187.49356	0.7
214.68567	0.6
255.23329	36.6
283.26514	5.3
334.85837	0.8
343.28577	100.0
344.28668	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	343.2851
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
50.66527	0.8
61.98835	1.4
70.07544	0.9
72.99306	48.4
74.70770	0.9
75.00451	1.5
75.00866	29.4
80.42741	1.1
116.60165	1.4
144.72838	1.0
233.70094	1.0
255.23314	1.5
297.85596	1.1
343.28577	100.0
360.90240	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	343.2854
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
51.99234	1.1
59.01373	5.2
67.72574	1.2
72.99301	46.6
75.00861	18.0
76.27852	1.5
78.95651	1.1
126.00354	1.4
128.04889	1.3
154.84999	1.3
185.75812	1.3
267.26810	2.4
283.26477	23.9
300.20151	1.4
309.29059	1.5
343.28537	100.0
344.29147	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	343.2856
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
51.48032	2.6
59.01392	4.1
72.99313	32.1
75.00871	11.7
75.67422	3.0
84.52954	2.9
90.24415	2.8
168.44463	2.9
174.01147	3.2
186.42923	3.7
228.75005	2.9
267.26883	4.7
283.26471	56.7
336.91248	3.3
343.28516	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	344.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
58.00596	3.3
59.01386	100.0
61.98827	1.9
67.42708	1.4
71.01036	2.3
71.01385	39.1
72.99314	3.2
73.02937	6.4
78.95889	2.4
83.01402	2.7
85.02963	13.9
87.00860	2.0
88.23760	1.5
89.02441	35.4
89.20683	1.3
92.05053	10.8
94.02989	1.6
94.68957	1.5
101.02425	18.5
108.04540	3.5
110.05962	1.7
113.02459	17.4
116.92844	2.8
117.01917	5.8
119.03486	11.5
120.04539	30.2
122.06140	11.8
136.04019	14.2
137.04939	2.4
138.04614	3.1
138.05611	54.5
164.03534	77.5
170.96103	1.8
179.10291	1.9
180.06662	2.7
213.32631	1.5
287.59988	1.6
300.10971	15.1
303.20642	1.7
344.05743	3.3
344.09909	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	7.1
59.01388	25.9
59.95613	0.8
61.98812	0.9
64.35035	0.9
71.01398	18.5
72.00917	15.2
72.99307	0.9
79.97426	0.8
83.01434	0.8
83.06141	0.8
83.36168	0.9
85.03032	1.1
87.00878	1.2
89.01948	1.3
89.02454	20.5
91.05538	1.1
96.96024	1.1
101.02443	7.8
103.00391	6.0
104.77029	0.9
107.08863	0.8
113.02464	2.0
119.03494	1.7
119.04995	1.5
120.05412	0.9
125.03553	16.8
126.03937	6.9
145.29443	0.8
147.04523	54.9
164.07173	100.0
165.07414	0.9
170.96144	1.7
179.05652	2.0
181.05092	2.0
182.05383	1.4
207.47496	0.9
240.96701	1.2
345.05032	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67880	10.4
59.01375	19.2
61.98831	14.4
69.86273	11.5
92.11718	17.7
96.10645	15.1
96.42265	14.9
96.54066	13.0
131.80847	12.9
144.25294	14.0
195.21191	13.5
217.07288	30.6
249.07658	12.9
301.16571	100.0
335.06192	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	344.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34534	0.3
55.01863	0.5
59.01370	0.5
65.32899	0.3
67.02893	0.3
68.54074	0.4
68.85502	0.3
75.10416	0.4
76.81506	0.3
197.19087	0.9
221.19212	0.7
223.20689	4.5
225.22258	61.4
226.22551	1.5
253.21811	0.7
271.22803	100.0
272.23160	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01154	0.3
59.01387	5.9
61.98835	10.5
62.56804	0.3
68.02273	0.4
71.01378	2.5
71.44351	0.4
73.02943	59.6
75.94083	0.3
78.95900	7.5
83.60827	0.3
85.02956	0.5
89.02444	2.2
96.96947	1.8
99.00874	7.4
99.92574	0.8
101.02455	1.6
111.01983	0.5
113.72988	0.4
116.92845	11.8
117.01931	100.0
117.92834	0.5
118.85195	0.4
119.03464	0.5
119.05021	2.1
129.45973	0.4
134.04744	0.9
138.05603	1.0
139.05911	0.5
147.04529	1.7
164.03609	0.8
165.03827	0.4
166.24803	0.4
210.94350	0.4
213.45595	0.4
301.11453	0.5
311.16177	0.4
345.10303	3.0
346.05649	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.2
61.32749	0.7
67.03017	0.9
68.01419	8.3
70.47097	0.7
71.01369	1.0
76.57765	0.7
78.95892	3.8
80.05054	0.8
82.02979	1.7
87.00866	1.0
95.02499	7.3
96.96010	4.1
100.04070	1.1
101.02444	0.9
102.92154	0.6
110.02477	3.9
111.02007	72.8
114.87254	0.8
124.03961	0.9
144.98215	0.9
151.05142	23.7
152.03583	0.8
154.37946	0.7
170.96114	1.3
195.04111	4.3
200.05740	1.1
213.05196	100.0
226.09909	0.6
243.06305	1.6
309.11917	0.8
345.04947	2.8
345.09375	24.2
346.05475	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2282
Annotation	oscr#20
Peak:m/z	Relative Intensity
56.85172	0.9
57.03433	1.7
59.01379	2.8
92.12362	2.3
125.09720	2.3
127.11328	1.3
130.87631	1.2
137.22223	1.1
171.10233	1.9
180.98489	1.3
184.60493	1.4
196.04443	1.2
201.11308	2.1
231.00095	1.2
247.20630	12.0
265.21658	10.3
273.83939	1.1
291.19681	5.8
301.23871	1.4
309.20773	18.8
327.21826	21.0
345.22833	100.0
346.23309	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2284
Annotation	oscr#20
Peak:m/z	Relative Intensity
54.83067	1.2
57.03442	6.9
58.00596	1.4
59.01379	16.1
60.50467	1.2
61.15735	1.6
62.45819	1.3
69.03467	1.8
75.92266	1.3
83.05502	1.3
85.06572	3.1
87.04513	1.7
93.27203	1.5
109.27359	1.5
115.07639	6.4
125.09697	2.2
127.11263	2.5
137.09735	16.1
171.10274	33.5
201.11400	6.0
203.16365	1.5
211.13452	1.7
223.13521	3.1
229.14410	8.5
230.94756	1.5
237.18565	1.5
259.15570	8.5
345.18600	3.7
345.22815	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	345.2801
Annotation	5-(8Z-Heptadecenyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
60.39082	0.5
61.98849	0.7
63.85450	0.5
73.63605	0.5
73.99033	0.4
81.03456	4.1
98.11391	0.5
102.36732	0.5
106.36940	0.5
109.24770	0.5
122.03715	2.8
123.60362	0.5
135.04539	1.0
149.06097	0.6
155.22191	0.5
182.34938	0.6
211.31017	0.6
215.67627	0.5
303.27020	10.8
321.14459	0.7
345.28006	100.0
346.28397	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	346.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59795	0.4
55.83139	0.3
58.19416	0.3
59.01391	82.1
60.01730	7.8
61.01818	2.3
61.98841	100.0
70.62682	0.4
116.69436	0.4
117.21273	0.4
121.71257	0.4
138.89487	0.5
147.13463	0.3
158.03758	0.5
159.01456	1.6
159.03268	0.9
160.01552	1.9
161.01216	2.1
161.56807	0.4
178.63953	0.4
201.00748	0.6
201.02554	12.2
202.02750	20.3
203.02289	21.6
204.00020	29.6
204.02698	5.8
274.33133	0.5
346.03940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92385	0.3
59.41050	0.3
76.92319	0.3
78.95895	100.0
92.02543	0.3
96.96948	26.7
102.43585	0.3
107.03652	0.8
107.08449	0.4
111.01981	1.3
130.82484	0.3
134.04716	19.6
138.98016	1.6
150.98026	3.0
192.99109	0.5
211.00171	1.7
226.72321	0.3
346.05588	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	347.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09206	2.9
58.02981	55.9
65.53515	3.0
69.50539	3.1
71.62246	3.4
92.12335	4.7
100.20720	3.8
154.88310	3.4
168.13927	100.0
168.39265	3.5
226.29849	4.0
304.19202	19.5
338.82114	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	347.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11592	4.7
57.43082	5.3
59.01382	100.0
61.98857	6.2
64.11629	5.1
92.65545	5.8
121.07444	5.5
171.10246	9.7
182.94070	6.7
306.09198	5.7
311.22360	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.5
61.98828	1.3
67.65190	0.8
85.19972	0.8
90.14907	0.7
91.12182	0.7
91.70185	0.9
100.76086	0.8
107.19698	0.8
147.15988	0.8
147.41214	0.8
186.55334	0.9
191.50902	0.8
219.47598	0.9
220.58585	0.8
265.21729	100.0
266.22018	2.9
271.22827	3.6
284.48019	0.9
347.18295	2.0
347.22089	20.5
357.15112	0.8
365.53040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37845	3.1
59.01377	18.7
61.98835	40.3
64.34468	4.1
67.65141	3.7
74.02469	35.6
77.86295	3.6
82.02949	7.1
84.04533	6.3
85.04083	7.9
86.02461	19.3
102.36907	3.9
126.38221	4.2
127.05115	9.1
128.02641	4.6
128.03535	100.0
131.03674	7.9
132.04546	79.0
141.06693	28.2
146.04553	4.6
147.17445	4.0
153.06725	6.4
157.07678	9.9
158.06024	6.2
177.05594	4.1
179.04558	5.6
185.05685	31.8
219.07787	57.3
236.05020	3.8
330.10919	20.4
348.12045	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2544
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
50.23460	0.5
54.82895	0.8
58.61464	0.6
59.01375	1.0
61.98814	0.9
63.24892	0.6
66.22530	0.6
88.04029	100.0
89.07812	0.7
90.08755	0.6
94.21084	0.6
196.78773	0.7
221.11111	0.6
250.64862	1.0
348.25449	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
65.55858	0.3
101.61742	0.4
117.25598	0.3
128.49443	0.3
134.32840	0.3
145.68230	0.3
193.53288	0.3
224.20917	0.3
343.99478	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1142
Annotation	Prodiamine
Peak:m/z	Relative Intensity
54.82880	0.5
55.01871	0.7
55.60505	0.6
56.76241	0.6
57.03443	2.8
59.01390	19.1
62.38178	0.7
67.01877	1.5
68.29534	0.6
69.03452	0.6
71.01036	0.8
71.01380	14.4
72.99316	5.0
73.02935	1.1
75.00465	0.8
75.00874	18.3
85.02470	0.8
85.02947	18.0
87.00866	7.8
89.02448	5.6
95.01371	4.9
99.00889	10.6
99.04510	100.0
100.04830	1.1
103.00347	1.0
111.04578	0.8
113.02451	14.9
115.00371	1.2
117.01931	2.8
124.46458	0.7
126.46038	0.6
129.01903	0.9
131.03490	0.7
152.61188	0.6
175.02492	2.5
195.10248	0.8
223.21886	0.8
231.05121	1.5
249.06161	18.7
267.07211	3.5
331.10568	1.1
349.11426	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1144
Annotation	Prodiamine
Peak:m/z	Relative Intensity
50.88006	1.1
57.03453	3.0
59.01387	28.3
60.52376	1.0
61.40999	1.1
61.98826	2.8
71.01378	24.9
72.99290	5.1
73.02956	1.8
75.00876	20.2
75.47480	1.0
78.12508	1.2
85.02950	25.8
87.00877	7.4
89.02422	7.8
95.01369	5.5
95.12704	1.2
99.00860	11.7
99.04511	100.0
113.02448	25.0
115.00402	1.5
117.01899	2.5
129.01904	2.6
136.01639	5.8
151.04019	6.2
175.02510	2.7
181.90099	1.3
233.85907	1.6
249.06078	6.7
267.07297	8.7
331.10263	1.8
349.11414	83.1
349.14783	3.7
350.11557	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	349.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09028	0.2
51.65026	0.2
55.81438	0.2
59.01391	100.0
61.98846	1.1
70.79977	0.2
74.99097	0.3
96.20652	0.2
111.76042	0.3
113.02484	0.3
114.02047	0.3
136.99208	0.3
153.39902	0.3
171.10475	0.3
185.28247	0.3
349.22403	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	349.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31630	0.3
58.00588	2.1
59.01369	0.7
61.98827	1.3
83.96579	0.3
96.95950	0.4
97.06572	0.6
99.08157	12.9
116.92818	0.7
127.07635	2.1
129.09216	17.6
168.19753	0.3
183.13905	33.5
195.13933	3.4
198.10913	0.3
277.21866	2.3
282.98953	0.3
295.22784	8.7
311.22452	0.5
313.23898	100.0
314.24228	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	349.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92604	2.4
59.01107	4.8
59.01393	100.0
60.01718	3.8
61.98827	3.0
70.74046	2.5
92.11723	5.4
107.74827	3.2
138.17671	2.7
162.06891	11.4
171.10188	4.1
177.09265	3.3
313.23892	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45723	0.5
53.41865	0.5
54.83581	0.6
54.99254	0.6
59.01382	19.2
61.98825	0.8
68.38216	0.5
68.73584	0.6
74.67510	0.7
99.75261	0.7
111.61841	0.6
116.92803	1.0
139.63281	0.8
267.23309	100.0
268.23688	4.2
301.72128	0.7
349.23648	18.1
359.83081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55678	0.1
51.27423	0.1
51.94732	0.1
53.33291	0.1
59.01370	0.7
60.10839	0.2
60.21762	0.2
71.01391	0.2
73.24079	0.2
81.90128	0.2
87.00856	0.2
96.95994	0.3
98.25592	0.2
124.57063	0.2
144.04541	100.0
145.04861	2.2
306.09860	0.7
314.26291	0.2
350.18188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	29.7
61.98830	74.9
62.63510	10.3
65.87701	11.8
67.75005	13.8
68.21203	11.1
71.07965	11.8
76.96371	12.7
86.25464	12.1
93.97556	13.4
103.38251	12.7
103.56575	11.7
114.39244	14.0
116.92814	19.6
119.78142	12.6
124.00204	11.8
192.95816	100.0
313.53778	11.9
339.16858	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	350.2703
Annotation	Melophlin E
Peak:m/z	Relative Intensity
52.19127	0.1
53.35615	0.1
56.35335	0.1
57.12417	0.1
58.02920	0.1
59.01392	0.1
68.80406	0.1
84.31761	0.1
86.06111	0.6
88.04034	100.0
109.06813	0.1
116.92825	0.1
124.08076	0.1
124.33533	0.1
136.47685	0.1
178.76862	0.1
252.20445	0.2
256.41101	0.1
269.21252	0.2
315.36325	0.1
350.27020	33.6
351.27466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.12
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.3
58.60156	0.5
59.01112	0.6
59.01394	17.7
61.98827	0.7
67.01904	0.6
67.44317	0.5
71.01390	13.6
72.99316	4.7
73.02941	2.3
75.00880	14.7
78.16209	0.5
85.02962	17.8
87.00894	5.2
89.02444	3.5
94.02975	0.6
95.01370	3.4
95.04998	0.8
98.02490	0.6
99.00883	9.0
101.02430	1.1
101.06080	100.0
103.00354	0.8
104.00254	0.6
107.09111	0.5
108.04581	1.2
113.02456	15.3
115.00366	2.1
117.01967	2.6
122.06110	2.7
123.03283	0.7
124.04022	0.8
129.01965	0.9
131.07092	0.6
131.89238	0.6
134.95540	0.6
136.04021	4.1
136.07654	7.2
138.05591	3.7
140.03630	0.9
150.05594	3.1
152.07082	0.7
170.04593	4.9
175.02510	1.1
227.08394	2.5
228.09077	3.3
229.09821	1.1
243.11423	1.1
246.11426	1.0
247.10704	1.6
249.06206	3.5
259.10904	1.0
271.10892	7.5
289.11963	7.9
307.13080	0.7
333.11465	0.8
342.48816	0.6
351.13004	62.5
373.01697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75526	1.2
52.43426	1.1
55.01866	1.6
57.03445	3.4
59.01387	29.0
61.98803	1.3
62.91912	1.4
69.50224	1.4
71.01386	20.5
72.99324	5.8
73.02950	2.5
75.00869	16.1
85.02938	20.7
87.00880	10.0
89.02435	8.3
95.01389	3.6
95.05032	3.0
98.02473	8.7
98.56818	1.4
99.00872	10.4
101.06071	100.0
103.00362	1.9
105.03474	7.4
108.04529	1.9
110.02461	16.3
112.04050	8.9
113.02450	24.6
117.01951	2.5
120.04568	1.8
121.05315	3.6
122.06135	7.0
124.04036	3.0
125.01186	7.8
132.15036	1.7
132.49382	1.5
133.02957	30.5
134.06096	6.1
136.04045	16.8
136.07672	86.1
138.02019	5.9
138.05632	1.6
140.03517	33.3
150.05606	2.7
152.03557	8.1
154.05115	7.3
168.06635	1.7
170.04587	62.6
173.04552	1.9
177.01974	7.9
183.05424	2.5
200.07268	1.8
201.07938	1.8
216.10318	8.2
227.08292	10.3
228.08902	13.1
229.09920	9.6
234.11481	1.8
243.11472	3.1
244.08588	2.6
245.09476	2.0
247.10893	16.1
256.35718	1.6
259.10873	11.1
267.07312	3.8
271.10880	14.8
289.11945	15.4
291.09741	2.0
303.09735	2.5
307.13052	3.6
351.12949	85.9
351.16544	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53776	1.4
59.01385	17.3
59.01635	1.8
61.98814	2.0
66.75039	1.8
67.01903	1.9
71.01376	6.8
72.21825	1.8
76.89933	1.5
89.02436	3.6
94.02979	10.6
94.24284	1.7
95.05018	3.7
98.32806	1.7
101.02424	2.2
101.06082	11.7
102.26604	1.6
108.04561	16.2
113.02465	2.5
120.04574	3.3
122.06094	26.1
123.03247	12.0
124.04046	2.7
125.50296	1.5
131.07124	11.1
134.06145	16.4
136.04036	44.0
137.04779	2.3
138.05606	50.5
147.05624	2.5
150.05609	46.5
151.06389	8.5
152.07190	10.9
175.05130	6.4
184.07751	1.7
185.09779	2.9
188.07207	2.3
195.05420	11.0
200.10823	9.4
202.08769	2.2
204.10344	2.9
212.05936	8.0
213.06602	6.9
214.07465	2.0
215.08244	2.9
227.08359	23.7
228.08675	28.9
229.09805	12.1
231.11339	2.8
241.09866	2.9
243.11331	15.7
246.11342	14.2
247.10971	6.2
256.08618	4.1
259.10910	12.3
271.10886	100.0
277.11829	3.0
287.10529	1.9
289.11969	78.7
293.12421	19.5
307.13022	9.2
321.10916	2.6
351.08322	2.3
351.12759	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	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.0
59.01111	0.7
59.01389	18.3
59.53411	0.6
60.02021	0.6
62.35102	0.7
69.03426	0.7
70.37679	0.6
71.01029	1.0
71.01388	14.7
72.17815	0.6
72.98952	0.7
72.99312	5.6
73.02950	0.8
75.00874	15.8
79.63240	0.7
83.01385	1.0
85.02949	20.3
87.00863	6.6
89.02451	5.0
95.01400	6.1
99.00894	9.9
101.06076	100.0
102.06391	1.0
103.00355	1.1
113.02448	17.9
115.00375	2.5
117.01917	3.1
129.01949	1.1
133.02956	1.2
134.06023	0.7
136.03973	1.5
136.07655	5.4
140.03535	1.2
152.03589	0.6
157.01396	1.0
170.04608	3.0
172.12914	0.7
175.02441	1.0
249.06197	3.1
267.07199	1.5
271.10916	0.9
275.38770	0.7
314.98111	0.7
333.11902	1.6
351.12967	69.3
352.13168	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	351.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89482	1.1
51.67283	1.0
59.01388	100.0
60.04227	1.1
64.80483	1.2
67.44614	1.3
71.01386	7.0
73.02969	2.0
85.02956	3.1
87.00896	1.7
89.02455	6.3
101.02448	5.9
108.04549	1.7
112.82997	1.4
113.02419	2.7
116.92921	1.8
119.03471	1.8
138.05606	2.0
158.80655	1.6
161.04590	2.1
163.73184	1.5
192.95897	3.1
226.93297	1.6
303.68457	1.5
313.09406	3.0
314.18393	1.5
316.91241	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	351.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44487	0.4
54.63429	0.5
55.01883	0.7
57.03447	1.0
59.01104	0.8
59.01386	14.8
61.32476	0.4
67.07877	0.4
68.99812	1.0
69.03471	0.6
71.01032	0.7
71.01385	11.8
72.99286	3.2
73.02937	0.6
75.00861	14.0
75.37904	0.5
76.57625	0.5
83.01387	0.7
84.81076	0.5
85.02946	13.8
87.00875	5.5
89.02425	4.1
92.29468	0.5
95.01386	4.3
95.01873	0.5
99.00861	8.3
101.06066	100.0
103.00333	0.9
111.00875	0.7
113.02435	14.0
115.00361	0.8
117.01899	3.9
129.01929	0.9
155.26521	0.6
175.02440	1.2
231.05098	1.3
249.06117	11.0
323.60007	0.7
333.11792	1.1
341.56946	0.6
351.12976	53.3
352.13324	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	351.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.79164	0.4
61.98825	1.3
71.01341	0.5
73.02927	0.8
79.75842	0.5
87.00854	0.6
94.56728	0.6
116.92830	0.8
120.93456	0.5
122.78456	0.5
125.09700	3.6
153.61310	0.5
174.05511	0.6
187.09769	4.8
249.13448	0.7
257.06342	0.5
291.21771	4.8
351.16516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16182	0.5
55.94871	0.5
59.01382	0.9
59.89513	0.5
64.85267	0.5
89.77700	0.6
144.72499	0.6
163.11288	1.0
163.34132	0.6
175.11282	3.3
187.11230	1.0
223.40886	0.7
278.13159	2.5
279.13870	1.5
292.14694	0.9
293.15469	28.0
294.16177	5.5
295.16885	6.5
319.16821	1.0
321.18658	3.4
335.20245	5.0
336.20972	4.0
349.21741	7.6
351.23318	100.0
352.23740	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	351.3271
Annotation	11,15,19-trimethyl-5Z-eicosenoic acid
Peak:m/z	Relative Intensity
50.58967	0.4
51.68021	0.4
56.73846	0.4
59.01371	0.8
62.78617	0.4
63.54704	0.4
86.60160	0.5
128.47041	0.5
151.97081	0.6
168.03302	0.5
320.60562	0.6
351.32697	100.0
352.33066	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	352.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.3
55.39751	2.5
56.66929	2.6
57.03453	4.0
59.01388	46.5
68.99815	11.7
71.01377	44.2
72.00900	17.1
72.99308	6.0
73.02943	4.9
75.00874	22.0
75.19353	2.8
76.58362	2.9
78.95912	3.6
84.85803	2.7
85.02955	26.7
87.00866	16.5
87.04475	4.6
89.02402	7.0
93.03474	3.3
94.41850	2.7
95.01374	6.6
99.00863	17.5
101.02443	3.9
102.01960	72.0
103.00376	3.4
113.02431	22.5
115.00377	21.3
117.01943	4.8
121.85528	3.1
123.85220	3.5
129.01888	3.4
133.01437	31.9
141.01332	3.5
146.06107	12.4
147.04523	47.6
148.04855	16.6
164.07167	90.5
165.07487	29.3
187.10802	6.3
243.21376	3.2
249.03729	4.2
249.06190	100.0
267.07147	3.5
274.53778	2.9
352.08960	80.4
352.13370	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	352.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	100.0
61.98814	67.0
64.34164	46.3
68.12056	44.1
77.30200	49.4
113.65420	37.1
116.92815	40.0
128.35338	40.7
322.44693	44.9
377.28992	48.1
377.71002	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96844	0.7
59.01382	2.1
60.04763	0.8
65.92417	0.8
66.94405	0.8
74.99409	0.8
79.95734	14.8
91.73571	0.9
95.95216	2.2
96.96003	98.7
97.72368	0.8
102.44979	0.8
122.97579	6.6
138.97069	1.3
171.75452	1.0
180.30151	0.9
274.83246	1.0
307.13577	1.0
330.80444	0.9
353.20041	100.0
368.47089	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2123
Annotation	Guayulin B
Peak:m/z	Relative Intensity
54.43364	0.1
55.70908	0.1
57.96332	0.1
60.73905	0.1
89.17745	0.1
107.05022	0.2
139.32520	0.1
147.08112	0.2
163.11276	100.0
164.11621	1.4
177.09201	74.0
178.09547	0.9
194.05917	0.2
222.08926	0.3
303.78745	0.2
353.21234	85.0
354.21530	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	353.231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38231	0.2
52.76860	0.3
54.81640	0.3
55.01883	0.6
56.32491	0.3
59.01372	1.8
59.01652	0.2
60.24958	0.3
60.84035	0.3
67.10437	0.3
67.97063	0.3
80.91676	0.5
81.78341	0.3
84.02144	0.4
89.72421	0.3
92.12359	0.7
97.75477	0.3
99.74819	0.3
99.92553	0.4
139.76772	0.3
163.11288	0.5
172.98169	0.3
177.12856	1.9
197.19099	1.3
223.20663	4.1
225.22247	65.1
226.22661	0.6
253.21704	1.6
269.21191	0.4
271.22784	100.0
272.23105	2.1
303.00757	0.3
353.23053	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	353.2338
Annotation	(-)-Enunicelline
Peak:m/z	Relative Intensity
51.68394	1.3
57.03191	1.8
57.03457	42.6
59.01379	12.6
61.98829	2.8
70.15509	1.3
71.01378	3.7
71.05022	24.9
73.02936	2.0
78.26791	1.3
80.96490	1.7
83.05026	69.1
85.02956	2.0
91.72162	1.4
139.03992	2.7
155.14429	18.6
194.95554	2.0
197.15475	87.3
213.18622	77.2
221.10367	3.0
225.18587	2.3
285.72910	1.8
353.14749	3.1
353.23373	100.0
354.23541	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	353.3064
Annotation	22-Oxo-docosanoate
Peak:m/z	Relative Intensity
50.38997	0.8
54.96961	0.8
59.01388	1.0
64.14472	1.1
64.35341	1.1
69.98407	1.0
84.64381	1.1
101.07436	1.1
120.46407	1.1
122.46463	1.2
156.75793	1.2
163.11292	1.3
203.26915	1.1
267.54123	1.3
284.12897	1.3
305.28391	2.0
307.30090	52.7
318.06821	1.4
330.50699	1.3
353.30655	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	354.302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17904	0.2
52.15852	0.2
54.48059	0.3
59.01378	0.4
74.54275	0.3
79.97434	0.3
88.48530	0.3
93.65309	0.3
94.98109	0.3
103.49710	0.3
114.09160	0.4
116.07171	100.0
116.92845	0.4
117.07495	0.4
126.09274	0.7
158.61169	0.3
198.75284	0.3
206.86984	0.3
218.93857	0.3
239.23749	0.6
308.29462	0.4
310.31177	7.1
350.60727	0.3
354.30173	57.5
355.30527	1.8
378.12595	0.3
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	Juglanoside E
Peak:m/z	Relative Intensity
52.46614	0.5
54.82305	0.4
54.95913	0.4
59.01387	4.0
61.98829	2.9
62.19189	0.4
68.99560	0.7
71.01377	2.3
72.51347	0.5
84.95113	0.9
85.02934	0.7
87.00913	0.7
94.53709	0.6
96.62704	0.5
101.06067	1.3
102.06400	0.7
103.06491	0.5
117.07091	0.6
121.02930	3.0
133.02951	2.7
134.03732	100.0
135.04051	1.3
137.02446	11.6
138.98561	0.7
139.04005	4.3
149.06078	25.3
149.09769	0.6
150.03145	2.0
160.01656	1.1
175.03999	1.1
178.02707	47.0
179.03000	0.8
187.44556	0.5
193.05057	97.4
194.05399	2.6
197.04613	0.7
269.00226	0.6
343.48169	0.7
355.14166	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	355.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
74.27433	0.3
80.20806	0.2
84.93847	2.1
88.04016	2.0
99.92572	50.7
100.92626	1.1
100.93356	5.0
115.92062	28.4
116.92847	100.0
117.92875	2.5
117.93614	0.4
225.22307	1.8
257.23947	0.3
306.49289	0.3
311.16870	1.2
325.14862	1.2
343.15927	1.4
355.15848	55.9
356.16235	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	355.228
Annotation	Dshamirone
Peak:m/z	Relative Intensity
61.98809	0.5
69.22007	0.5
70.02964	0.6
75.26812	0.4
92.24203	0.6
96.00862	0.8
104.02660	1.1
113.03529	0.5
117.07065	0.6
121.33285	0.5
133.10223	5.4
147.08115	0.7
151.11311	0.7
158.15796	0.6
161.09637	0.7
163.11279	100.0
164.11632	1.9
172.69263	0.5
179.10773	81.9
179.22992	0.5
180.11089	1.1
183.79562	0.5
226.72321	0.5
262.30643	0.6
337.21704	5.7
337.25085	0.7
355.22827	79.9
356.23114	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2282
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
51.44316	0.7
53.70188	0.6
59.01389	1.3
59.21604	0.8
59.88182	0.8
61.16796	0.7
70.17559	0.7
85.68560	0.7
107.05019	1.3
116.92835	1.3
122.03700	10.3
135.04510	26.7
136.01689	0.9
147.08151	6.2
149.06110	3.4
149.09702	12.3
151.07526	1.1
161.09703	15.8
161.96423	0.8
163.07628	5.3
163.11284	70.8
164.08443	21.5
164.11560	1.9
164.68745	0.9
165.09241	6.4
177.09207	100.0
178.09979	18.6
179.10770	72.0
180.11156	1.4
183.10185	1.6
187.11276	2.0
191.10770	9.2
193.08710	6.2
222.29382	0.9
265.12503	1.4
279.13712	1.1
280.14682	4.2
298.15732	36.0
299.16156	0.8
307.16901	1.5
309.22241	1.4
321.18768	1.1
322.19269	1.7
337.21765	61.3
338.22101	4.5
340.20447	95.3
341.20782	5.4
355.22806	60.0
356.23267	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2282
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01381	0.3
59.95884	0.2
60.82374	0.2
65.42918	0.2
74.97169	0.2
80.20995	0.2
116.92787	0.3
143.45898	0.2
146.76912	0.2
147.08165	2.4
161.09677	1.5
163.11255	4.4
191.10860	0.4
249.09190	0.3
265.12311	2.2
279.14066	0.2
280.14706	5.9
307.17126	3.3
312.47232	0.2
319.72159	0.3
321.18625	1.8
322.19388	2.6
337.21762	100.0
338.22070	3.3
354.18292	0.8
355.22836	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58834	0.9
57.03461	29.7
59.01390	4.0
63.96992	1.0
71.05025	25.0
73.02927	1.3
83.05027	11.3
84.85743	1.1
85.06592	25.6
87.04511	17.2
97.06580	4.9
107.00543	1.2
111.08135	7.7
125.09705	15.2
127.98864	1.0
129.05600	1.6
134.04694	1.5
136.72081	1.2
137.09679	6.3
139.11319	1.2
141.05629	1.2
141.12836	21.7
151.11290	6.9
153.12859	2.4
155.14388	9.7
169.12317	8.0
177.12848	1.8
181.12305	1.6
183.13942	7.0
185.15421	1.7
186.99866	1.2
191.14378	1.5
195.13817	1.2
197.15483	43.7
211.17079	1.4
213.18631	44.7
225.18660	5.0
227.16508	1.4
233.19138	5.0
251.20154	5.0
265.21680	4.9
277.21744	7.5
288.82376	1.2
293.24905	2.1
295.22763	5.0
309.24429	6.4
311.25937	59.2
311.29529	2.3
337.23752	2.6
355.24908	100.0
356.25284	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	355.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	28.6
59.01384	13.3
63.48412	1.6
71.05012	10.0
77.41788	1.7
83.05010	4.2
85.02935	3.8
85.06580	19.0
87.04504	1.8
95.05019	2.1
97.06589	8.9
99.08147	3.3
100.28770	1.7
104.28738	1.5
107.60364	1.6
113.09743	6.8
119.05003	11.3
121.02937	54.2
122.03240	1.8
123.08177	3.2
125.09740	8.2
125.41010	1.8
127.11293	7.4
137.09697	2.6
139.11223	2.9
150.95674	2.0
153.12883	13.2
155.14453	7.7
157.12343	11.5
163.04010	8.8
166.64009	2.1
171.12430	2.4
174.07025	1.9
197.15494	25.7
199.13429	6.8
213.18600	22.1
241.04994	1.8
269.04700	2.1
297.04172	3.5
311.09253	39.6
311.25983	60.9
312.09689	3.6
314.35306	2.1
325.03619	12.4
337.23776	2.0
340.05853	6.8
355.08167	28.7
355.24933	100.0
356.08722	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
56.36274	0.6
56.61338	0.6
57.03464	17.9
59.01394	2.5
65.67270	0.6
69.03479	0.8
70.54895	0.6
71.05026	10.1
71.92314	0.6
72.63043	0.6
76.35670	0.6
83.05045	0.9
85.06593	29.2
95.05031	0.9
97.06583	56.5
98.78714	0.7
109.06529	0.9
111.04509	5.6
111.08134	0.9
115.07059	0.7
125.09678	1.4
127.11272	1.2
129.05569	53.5
139.11369	0.8
141.04564	1.2
141.05573	15.6
155.14413	7.4
170.89621	0.7
183.01064	0.9
197.13724	1.3
197.15463	28.3
205.38684	0.8
213.18628	17.0
227.16426	0.9
268.17218	0.9
337.23904	1.8
355.24927	100.0
356.25223	1.3
365.30936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.322
Annotation	2-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
51.99017	2.8
53.24878	3.2
54.83012	3.2
55.33668	2.7
61.98831	4.1
69.52187	2.9
73.92150	3.4
77.02358	4.0
109.87775	3.4
188.19490	3.7
266.87531	3.6
309.31589	70.5
337.25912	3.6
355.32245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3224
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
51.20436	0.4
51.78132	0.4
54.69971	0.3
59.01384	0.8
61.98837	0.7
62.24511	0.3
151.35370	0.4
152.65483	0.3
309.31708	5.1
337.31082	1.8
353.30637	0.8
355.32227	100.0
356.32529	2.2
360.64685	0.4
368.89859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.12
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09447	0.2
50.10192	0.2
51.57057	0.2
54.07809	0.2
57.46981	0.2
59.01392	3.6
61.98841	100.0
67.99142	0.2
71.01381	1.9
75.00858	0.2
83.92160	0.2
85.02952	0.3
85.06616	1.2
89.02429	1.7
92.98029	0.2
101.02419	1.7
113.02454	0.6
113.06102	0.3
114.05630	0.4
115.00375	0.3
119.03493	0.5
131.07141	6.4
131.08064	0.3
134.02884	0.3
134.03722	2.0
135.04071	0.5
138.05620	0.2
149.06133	0.3
178.02814	0.3
193.05099	1.3
194.05432	0.4
222.12518	0.5
240.13605	0.3
241.12006	0.3
293.12445	17.5
299.15244	0.3
356.14828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32361	0.4
58.02369	0.4
59.01382	0.6
61.98830	100.0
71.61318	0.4
82.15073	0.4
84.00929	0.7
118.07279	0.4
145.79874	0.5
163.11401	0.8
179.10805	0.9
356.23630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96775	1.4
59.01389	3.7
61.98834	10.8
62.40685	1.5
70.25294	2.0
74.02470	100.0
84.04559	2.5
92.12350	2.1
105.92708	2.0
106.43791	1.6
118.05068	1.7
121.02961	2.1
131.47917	1.7
131.71136	2.0
229.23058	2.1
266.24933	10.1
268.26440	4.3
294.24393	18.4
294.27725	4.8
312.25476	49.3
356.28125	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06380	0.6
59.01383	100.0
61.98822	3.2
64.75037	0.6
81.57043	0.8
116.92849	1.7
147.24335	0.8
192.95752	1.1
214.89519	0.8
296.25851	1.0
357.06161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67194	0.4
59.01387	0.4
71.01379	55.3
71.05006	1.2
78.95887	2.6
80.02927	0.5
85.02936	0.6
96.95985	0.9
111.92763	0.7
114.93394	8.7
115.00365	100.0
115.03999	2.1
115.92054	0.8
125.03638	0.8
293.11661	0.6
357.09546	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.0
57.03449	3.5
59.01384	59.1
66.71088	1.7
71.01382	56.8
72.74188	1.4
73.02941	20.9
78.76216	1.3
80.03133	1.4
83.01363	1.9
85.02938	26.2
89.02428	6.6
89.23154	1.2
95.01393	1.7
97.02934	6.1
101.02433	77.0
110.68919	1.3
113.02452	9.3
115.03949	2.3
131.03499	7.7
133.06563	3.1
150.83284	1.3
151.33372	1.7
163.06110	64.9
283.10086	1.8
297.13443	100.0
298.13678	1.8
357.19263	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	357.2648
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
52.51253	0.5
57.03444	6.5
57.38636	0.5
57.38964	0.5
59.01371	3.0
68.05745	0.6
71.01379	0.5
71.04987	2.5
72.02149	0.9
73.02921	0.8
78.81584	0.6
85.02935	0.7
85.06565	3.1
87.04504	20.8
88.79606	0.5
91.41043	0.6
92.11660	1.1
111.07439	0.6
111.08147	3.8
113.09728	4.0
121.02916	0.6
123.08120	1.1
125.09652	0.7
127.11292	1.1
137.09740	1.3
139.11285	2.5
141.12781	4.4
151.11256	0.8
153.12779	1.4
155.10779	0.6
163.11255	0.8
165.12831	1.3
167.10738	0.9
169.12352	1.3
171.13902	9.6
183.13887	6.4
185.15460	3.3
185.42523	0.7
193.03894	0.5
197.15515	3.0
201.14949	1.0
201.36450	0.6
223.20793	0.9
233.19063	0.6
253.21742	10.0
267.23270	8.7
279.23230	1.3
295.22849	1.0
297.24374	16.6
311.25958	12.1
313.27487	15.7
330.30194	0.6
350.44888	0.7
357.26501	100.0
358.26901	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03193	1.7
57.03454	38.6
58.73939	1.0
59.01377	2.5
64.67760	1.4
69.03429	2.1
71.05027	13.6
83.04990	2.7
85.06583	39.9
96.27718	1.4
97.06562	3.1
99.08134	5.6
121.02899	2.5
125.09756	2.0
127.11251	5.5
129.95724	1.2
139.11266	1.8
141.12788	10.5
149.20041	1.2
155.14383	10.4
165.24173	1.3
169.12321	3.1
171.13902	2.0
181.16046	1.9
185.15443	8.0
191.74323	1.4
197.15456	33.4
209.19180	2.3
213.18607	40.8
225.18579	13.4
229.18181	2.3
241.21689	2.1
248.29659	1.5
293.24847	1.9
295.26474	3.0
297.24265	6.1
311.25870	2.6
313.27505	100.0
357.26483	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68962	1.9
57.03458	52.1
59.01371	9.7
65.20603	2.4
66.18625	2.5
69.03439	2.9
70.91616	2.3
71.01380	3.8
71.05018	9.5
73.02933	2.4
76.74839	2.2
78.10067	2.1
80.20488	2.6
83.05029	2.6
85.06579	30.9
95.05003	3.0
97.06594	2.8
99.04508	36.9
127.90730	2.6
141.12857	3.7
143.10776	9.2
155.14432	3.0
160.39207	2.4
169.12331	10.4
169.16013	3.3
195.17410	3.3
211.17024	32.4
213.18646	3.8
231.16737	2.4
237.22231	4.1
245.80602	2.9
257.21204	5.4
279.23306	4.0
290.39584	2.6
295.26428	3.8
297.24271	19.0
313.27539	39.2
357.26526	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	357.2648
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03447	8.2
59.01390	34.8
60.32067	1.4
71.05019	3.7
85.06584	2.8
92.65314	2.0
121.02925	7.2
139.11150	1.5
155.14476	1.5
179.33205	1.7
180.37692	1.7
181.01357	1.6
197.15465	3.3
200.38155	1.5
213.18614	3.8
279.23270	2.5
291.95337	2.0
297.24261	2.2
339.25403	3.2
357.26486	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	358.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92796	0.2
59.01386	1.7
61.98835	100.0
64.34911	0.2
108.52511	0.2
112.32398	0.2
116.92798	0.2
129.61052	0.2
160.06544	0.2
304.42169	0.2
384.59146	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2237
Annotation	Loxtidine
Peak:m/z	Relative Intensity
54.82537	0.4
56.92341	0.4
57.03444	0.7
58.63013	0.4
59.01377	3.0
61.22292	0.4
61.83476	0.4
61.98832	1.1
63.83664	0.4
71.01386	0.6
80.92596	0.4
81.12074	0.5
87.04536	0.5
89.02438	0.5
99.92573	0.7
115.92110	0.5
116.92862	1.0
124.62496	0.5
128.10800	2.8
130.08727	100.0
147.11852	0.5
164.21739	0.5
220.17149	1.0
234.65918	0.5
248.40108	0.5
315.08905	0.8
358.22409	51.3
359.17154	0.5
359.22235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05820	0.1
52.50949	0.1
55.29222	0.1
59.01385	100.0
61.98818	0.2
80.86962	0.2
289.89841	0.2
296.25818	0.2
298.27698	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34886	0.4
58.52449	0.4
59.01385	100.0
61.89091	0.3
63.34414	0.4
67.78748	0.4
72.77022	0.4
73.02952	0.4
84.88109	0.4
114.98842	4.7
132.98212	2.1
148.30731	0.4
152.07552	0.5
156.99916	11.3
157.03578	1.8
159.01526	2.7
174.99219	25.0
201.02556	23.5
213.58322	0.5
217.00299	75.8
218.00829	0.5
222.39252	0.4
252.60365	0.5
299.01184	4.2
359.01505	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	359.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.7
60.23103	0.3
71.01361	1.9
73.02930	1.8
75.27065	0.5
78.40337	0.4
78.95908	0.9
87.00847	0.6
89.02431	0.4
96.95986	1.1
99.92564	9.9
101.02395	0.5
103.92001	1.6
111.00928	0.6
115.00359	0.8
116.92841	100.0
117.01894	1.9
117.05578	4.6
117.92867	2.5
123.00867	1.7
138.03191	1.0
138.64163	0.4
153.01939	0.6
166.99628	0.5
197.04524	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	359.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74186	0.1
56.21362	0.1
59.01385	1.4
61.98834	100.0
62.04055	0.2
78.29823	0.2
95.04961	0.1
104.61604	0.2
104.63264	0.2
104.70489	0.2
112.63489	0.2
134.03749	0.2
134.04718	3.9
135.05194	1.2
138.31743	0.2
167.88631	0.2
168.47516	0.2
176.71227	0.2
215.55682	0.2
249.73918	0.2
286.00064	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0988
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
58.42644	0.7
59.01372	4.3
66.03478	1.4
66.59982	0.8
71.01377	2.0
72.00881	0.8
74.02456	1.5
83.53294	0.8
85.02952	1.3
95.01373	6.5
96.96018	1.3
110.02463	2.0
113.02333	1.1
116.05055	4.2
116.92858	1.8
123.00881	73.9
138.03223	86.0
153.05566	27.4
166.99872	17.3
182.02209	56.6
197.04562	100.0
198.04739	0.9
203.08264	6.0
230.08543	3.9
272.12006	7.0
279.75842	0.9
323.13452	1.0
359.09833	3.8
359.15118	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	359.0989
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
51.84826	0.4
59.01379	3.1
66.03476	3.7
71.01370	3.1
74.02466	0.8
85.02962	0.9
89.02428	0.9
95.01388	6.1
96.95998	2.3
101.02432	0.8
109.02977	0.6
110.02475	4.6
113.02455	1.0
116.05050	3.0
116.92865	2.5
119.20683	0.6
120.22858	0.5
123.00882	76.1
137.02425	2.1
138.03232	89.9
140.13339	0.5
142.06567	1.0
153.05583	22.9
155.03569	0.6
166.99855	19.7
182.02216	61.9
197.04572	100.0
198.05017	0.7
203.08324	5.7
230.08490	3.1
241.18044	0.5
245.11052	0.6
249.06122	1.3
255.09261	0.6
272.11911	8.6
323.13443	1.1
359.10019	3.8
359.15161	6.0
360.09427	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	359.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.3
55.46700	1.9
57.03443	4.5
58.96202	2.2
59.01385	25.0
61.98825	9.2
65.64156	1.8
68.39698	2.2
69.03439	3.1
71.05051	2.0
73.02940	2.9
73.53517	2.1
81.03452	12.2
83.05013	18.4
84.02183	2.3
85.02951	4.3
87.04512	3.4
89.00037	2.1
93.03445	4.9
95.05029	2.8
99.04504	9.6
99.16830	2.6
109.06579	3.8
111.04517	14.7
116.92779	3.1
127.11279	2.4
171.10255	50.6
184.17476	2.2
185.11739	4.9
201.11369	20.6
215.12923	4.0
217.00409	3.3
223.13498	3.7
341.19482	3.0
359.16620	5.0
359.20810	100.0
360.21295	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48489	0.5
59.01384	27.0
73.86809	0.4
94.64151	0.5
210.41356	0.5
277.21729	100.0
278.22177	1.8
315.64297	0.6
359.22061	19.5
360.22549	0.5
374.30389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	46.0
58.00589	3.4
59.01386	48.0
64.40727	3.4
71.01376	22.5
71.05019	4.1
73.02933	42.6
96.96014	4.2
97.06583	4.9
99.04524	5.5
103.03984	5.1
137.09698	37.5
141.12894	5.3
142.48923	3.6
171.80527	3.4
185.15407	32.2
197.15399	5.7
213.18608	9.2
256.42050	3.5
265.21725	4.0
280.06790	3.4
281.25082	4.1
297.24121	4.6
299.25812	32.1
313.23956	15.0
359.28076	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	359.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.5
59.01382	100.0
62.16764	1.1
62.18813	1.2
71.05003	1.3
71.08150	1.3
74.07866	1.1
95.05010	5.1
115.60698	1.1
124.27438	1.4
209.12941	2.4
213.18761	1.5
261.41351	1.3
283.22681	1.5
299.25955	17.0
330.14996	1.3
359.28055	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98700	2.1
54.71405	2.2
56.41888	2.3
57.03447	15.2
59.01384	17.3
69.63086	2.2
71.01364	4.3
71.05019	13.4
83.05016	5.1
84.61400	2.2
85.02944	2.7
85.06615	3.3
89.34212	2.2
97.06543	3.7
99.04517	3.4
101.02508	2.6
101.06052	4.7
113.06059	5.6
129.64236	2.9
131.07132	11.0
155.10765	3.9
215.68777	2.7
233.04208	2.9
253.65829	2.6
257.21240	20.1
287.39117	2.8
293.24863	3.2
317.59558	2.7
317.64114	2.7
359.23688	4.4
359.28046	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	360.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51681	0.4
55.09039	0.3
57.28133	0.4
57.62948	0.4
59.01384	100.0
60.94856	0.4
61.19551	0.4
61.98835	4.3
62.75138	0.4
65.35006	0.4
68.01406	0.5
74.99106	2.6
77.87590	0.4
81.41460	0.5
123.03249	3.2
130.08781	0.4
136.99144	0.8
138.05595	68.3
139.06013	0.6
152.94569	0.5
160.99680	0.5
167.05896	0.6
180.06735	2.2
182.31642	0.4
250.31999	0.4
300.10904	22.3
301.11127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73790	0.1
56.55644	0.1
59.01376	0.3
61.98831	100.0
73.89695	0.1
81.28349	0.1
86.99667	0.2
111.02124	0.1
115.63754	0.1
119.60004	0.1
122.38638	0.1
122.43669	0.1
130.36942	0.1
130.97841	0.1
141.64224	0.2
371.53839	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	361.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.0
59.17544	0.9
59.69776	0.8
61.98829	1.3
66.03484	5.2
70.20306	1.0
71.01382	2.0
71.71822	0.9
72.00897	4.1
72.99298	1.3
73.68282	1.0
74.02467	6.3
74.99065	1.1
75.00867	3.7
82.18511	1.1
85.02950	2.1
89.02429	1.2
96.97008	0.9
99.00877	1.0
110.02473	11.8
111.00873	6.4
111.02811	1.6
116.05052	13.7
123.00753	1.0
130.06604	81.9
141.98195	8.5
142.06630	5.2
157.05081	2.4
159.09286	2.3
187.98764	4.8
203.08267	12.7
213.03481	5.9
246.04507	4.4
249.06174	2.4
250.06627	1.2
255.04576	4.1
259.03998	4.8
301.05075	100.0
302.05325	2.0
313.50223	1.1
327.54755	1.2
360.09457	2.2
361.09558	6.9
361.13895	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42073	0.6
59.01381	33.5
71.01372	8.4
73.02943	1.1
83.01366	1.1
83.12750	0.7
85.02955	4.4
89.02420	0.8
95.01363	5.7
99.92527	0.8
101.02425	4.7
101.41810	0.7
103.92016	1.2
112.86796	0.7
113.02457	3.4
115.91972	0.8
116.92860	1.1
121.02931	1.8
121.18980	0.7
123.00867	100.0
124.01642	10.4
135.90186	0.9
137.02464	3.8
138.03223	76.3
139.04007	15.7
149.02461	1.5
150.03218	1.1
151.04012	1.2
159.03009	1.6
161.04529	11.5
163.73384	0.7
166.02719	1.4
178.02663	1.6
181.05095	4.4
186.99168	1.0
193.05099	3.0
240.29941	0.8
301.09293	27.4
303.89935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49796	0.3
59.01382	21.1
63.23220	0.3
63.73212	0.4
80.91621	0.4
92.11623	0.5
93.37548	0.4
152.07755	0.4
246.67210	0.4
261.22354	0.4
279.23291	100.0
280.23627	3.2
317.73203	0.4
361.23642	19.6
362.24112	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
60.01724	0.2
61.98856	0.2
66.49231	0.1
73.25771	0.1
74.99339	0.1
100.96866	0.1
101.26726	0.1
149.09718	1.1
325.21960	0.7
355.38541	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	361.26
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82552	0.4
59.01383	100.0
60.55103	0.3
61.22236	0.3
61.98845	0.5
64.72172	0.3
64.96029	0.3
65.86393	0.3
65.89230	0.3
67.35152	0.3
83.98228	0.4
101.94837	0.4
111.17721	0.4
135.85561	0.4
148.78717	0.4
183.83847	0.3
259.09619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88046	0.5
59.01380	2.4
59.73416	0.6
61.98834	100.0
62.03865	0.7
73.47153	0.6
97.09750	0.6
99.85549	0.6
232.27702	0.6
280.23608	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	362.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33834	11.5
52.81808	13.9
54.83183	15.8
59.01373	21.3
61.98832	24.3
62.39882	11.9
73.75256	11.7
74.20494	16.3
92.66518	17.3
95.36907	15.1
97.13069	12.9
104.48384	13.9
116.92832	25.0
231.75093	17.4
250.74042	14.7
280.23660	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	363.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
64.34605	23.7
71.01401	27.7
72.99308	37.6
82.95412	59.1
87.00867	41.4
91.87587	23.4
96.96011	52.5
116.92850	30.0
130.56032	23.8
135.84120	28.4
164.07251	35.7
165.07475	30.1
168.88950	25.2
181.05321	24.7
201.12566	24.8
216.96735	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75496	0.9
58.24933	1.0
59.01384	17.4
61.98829	5.2
67.78925	0.9
71.01366	6.1
72.99271	1.4
73.02937	0.9
79.57899	1.0
80.05083	1.7
85.02948	2.1
89.02424	4.2
95.04989	1.2
101.02432	2.0
108.04530	6.6
111.77180	1.0
113.06106	1.3
119.03479	1.4
120.04442	1.2
121.05306	4.9
122.09790	1.0
122.96865	1.3
123.03246	13.2
124.04012	1.2
136.07663	21.0
138.05592	53.7
155.84666	1.1
162.05751	1.1
182.04512	1.1
183.10231	5.2
184.07680	1.6
191.54742	1.2
199.10007	1.4
200.17667	1.0
201.11258	1.8
212.05923	4.2
214.12427	5.0
227.08276	26.9
242.10594	24.5
257.12952	100.0
258.13446	1.6
260.16006	1.1
270.36615	1.0
319.09326	1.4
345.11008	13.4
363.08325	1.3
363.12329	3.1
363.16962	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75496	0.9
58.24933	1.0
59.01384	17.4
61.98829	5.2
67.78925	0.9
71.01366	6.1
72.99271	1.4
73.02937	0.9
79.57899	1.0
80.05083	1.7
85.02948	2.1
89.02424	4.2
95.04989	1.2
101.02432	2.0
108.04530	6.6
111.77180	1.0
113.06106	1.3
119.03479	1.4
120.04442	1.2
121.05306	4.9
122.09790	1.0
122.96865	1.3
123.03246	13.2
124.04012	1.2
136.07663	21.0
138.05592	53.7
155.84666	1.1
162.05751	1.1
182.04512	1.1
183.10231	5.2
184.07680	1.6
191.54742	1.2
199.10007	1.4
200.17667	1.0
201.11258	1.8
212.05923	4.2
214.12427	5.0
227.08276	26.9
242.10594	24.5
257.12952	100.0
258.13446	1.6
260.16006	1.1
270.36615	1.0
319.09326	1.4
345.11008	13.4
363.08325	1.3
363.12329	3.1
363.16962	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26674	1.3
55.57762	1.6
57.03455	9.4
59.01390	49.3
61.98833	7.6
66.35568	1.5
71.01385	32.6
71.05049	2.3
72.99300	10.0
73.02940	2.9
75.00873	25.0
79.95718	2.2
85.02953	35.8
87.00877	11.7
87.29942	1.7
89.02433	11.1
91.04012	2.5
95.01379	8.8
96.96004	97.7
99.00873	14.1
101.02426	3.7
103.00366	2.9
113.02442	32.8
113.06083	51.6
114.25898	1.9
117.01929	3.9
119.78263	1.8
130.34503	1.9
138.86162	1.7
146.08234	10.4
153.48320	2.1
172.09569	1.9
175.02562	2.9
230.84361	1.9
241.00455	2.4
248.86070	1.9
249.06187	22.4
267.07211	51.0
363.07587	100.0
363.12930	70.7
363.16644	5.1
363.23874	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	363.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26674	1.3
55.57762	1.6
57.03455	9.4
59.01390	49.3
61.98833	7.6
66.35568	1.5
71.01385	32.6
71.05049	2.3
72.99300	10.0
73.02940	2.9
75.00873	25.0
79.95718	2.2
85.02953	35.8
87.00877	11.7
87.29942	1.7
89.02433	11.1
91.04012	2.5
95.01379	8.8
96.96004	97.7
99.00873	14.1
101.02426	3.7
103.00366	2.9
113.02442	32.8
113.06083	51.6
114.25898	1.9
117.01929	3.9
119.78263	1.8
130.34503	1.9
138.86162	1.7
146.08234	10.4
153.48320	2.1
172.09569	1.9
175.02562	2.9
230.84361	1.9
241.00455	2.4
248.86070	1.9
249.06187	22.4
267.07211	51.0
363.07587	100.0
363.12930	70.7
363.16644	5.1
363.23874	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	363.218
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
57.03452	1.4
59.01372	5.3
61.98811	1.0
67.01308	0.8
67.72674	0.8
71.01362	1.1
71.05050	0.8
73.02917	1.0
77.26443	0.7
83.05018	1.8
85.02947	4.0
95.04956	1.7
99.04475	1.0
99.41440	1.0
107.05032	1.4
108.02167	0.9
109.06573	4.1
111.04451	1.4
116.92828	1.3
121.03038	0.9
123.04521	3.3
127.03976	1.0
129.44853	0.9
135.04562	1.5
137.05998	1.3
149.09673	2.0
151.03987	3.6
151.07623	4.7
169.05028	7.9
172.03777	10.2
175.07642	4.7
178.06339	4.0
193.08690	3.6
213.07709	1.0
278.63571	0.9
327.22083	1.0
349.44498	0.9
363.21799	100.0
364.21991	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	363.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87508	9.1
59.01382	21.5
91.46581	8.8
116.92873	52.2
149.09718	67.3
163.11275	64.8
247.98795	9.1
325.21829	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	363.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82344	0.3
56.30014	0.3
59.01383	17.9
61.98808	0.4
66.94514	0.3
99.92624	0.3
116.92850	1.3
121.27580	0.3
128.66676	0.4
168.53984	0.3
212.57526	0.3
249.40477	0.3
281.24866	100.0
282.25296	1.9
296.57169	0.4
363.25211	21.2
363.29749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	1.4
59.01387	32.8
60.31365	0.6
60.51323	0.7
61.98831	1.6
69.03449	1.0
71.01379	14.8
72.99303	1.2
79.97397	0.7
79.98389	0.7
85.02952	3.7
85.17719	0.7
86.89718	0.7
87.74448	0.8
89.02436	13.1
101.02441	9.0
113.02435	5.9
114.12200	0.8
116.07167	36.1
119.03497	3.9
123.03193	0.8
124.07667	4.0
134.04762	0.9
134.46851	0.7
138.05602	7.0
140.10822	21.8
159.86334	0.9
184.09792	100.0
364.16122	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	364.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	0.4
59.01384	48.2
59.19333	0.2
60.01717	5.0
60.02200	0.2
60.18559	0.3
60.21292	0.2
61.01809	2.9
61.98831	100.0
68.98615	0.2
72.83546	0.2
80.59225	0.2
80.62743	0.2
86.35270	0.3
89.14346	0.3
136.98961	0.4
138.96896	0.3
145.00261	0.2
151.09123	0.2
161.06364	0.3
168.13844	1.3
171.27031	0.2
191.58276	0.3
217.07109	0.5
218.07358	2.3
219.06894	11.8
220.07065	7.6
224.79253	0.2
286.13531	0.5
287.13351	5.6
288.13492	5.3
301.16232	0.9
302.16849	3.7
303.16458	18.7
304.16669	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	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08381	0.5
53.72803	0.4
54.45646	0.4
55.01873	0.6
57.03443	3.3
59.01108	0.8
59.01382	18.1
67.01881	0.6
68.99795	0.6
71.01375	14.4
72.98940	0.7
72.99298	5.2
73.02947	0.8
75.00864	15.6
80.00727	0.6
83.01366	1.2
85.02941	16.6
85.03413	1.1
86.90607	0.6
87.00871	7.0
89.02425	4.3
95.01387	4.0
99.00881	9.9
103.00374	1.4
113.02438	15.3
115.00329	1.2
115.07635	100.0
117.01929	2.8
129.01912	1.0
146.80099	0.6
151.84798	0.6
153.01901	0.8
175.02464	1.3
201.28813	0.8
231.05095	1.2
249.06139	14.7
267.07147	0.7
269.06369	0.7
347.13416	1.1
365.14532	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07791	0.7
57.00892	0.8
57.03448	3.7
58.02977	1.2
59.01384	20.7
70.02963	1.1
71.01382	13.5
71.05022	9.8
72.00896	1.2
72.99292	5.1
75.00867	12.6
81.03431	1.2
82.82585	0.8
85.02931	16.2
86.57774	0.8
87.00859	6.1
89.02424	3.8
89.66445	0.8
95.01376	4.8
99.00857	8.3
99.04494	4.5
103.00359	1.1
105.35618	0.9
113.02446	13.8
115.00353	0.9
115.07639	100.0
116.92840	1.0
117.01928	1.3
129.01917	1.1
143.09464	1.1
146.08228	13.9
147.04523	6.2
153.01906	4.0
154.66345	0.9
164.07170	11.1
174.09209	1.4
175.02463	1.0
194.52267	1.0
218.08243	6.4
231.05147	1.4
249.06110	12.4
259.36108	0.9
267.07358	1.1
280.87354	1.0
305.08594	1.2
347.13538	1.7
365.14517	45.6
365.17868	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18393	11.3
56.08597	12.1
59.01389	63.6
59.73844	11.6
100.06348	15.0
129.07959	14.9
154.89719	15.3
166.14070	17.7
181.06003	14.7
245.29974	14.5
283.26440	100.0
314.97394	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34568	11.8
61.98829	100.0
71.01389	14.5
77.77292	14.1
116.92860	20.4
126.24898	12.4
145.89636	14.7
230.36214	14.3
249.03598	14.6
255.41814	14.5
317.40479	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	365.2697
Annotation	8-iso Misoprostol
Peak:m/z	Relative Intensity
56.82456	0.7
58.02966	1.0
59.01380	8.8
61.98836	1.1
66.57880	0.7
68.99322	0.8
69.34251	0.8
74.33788	0.8
85.02984	1.0
85.41827	0.9
88.28400	0.7
88.92958	0.7
98.22382	0.8
112.95097	0.9
115.92059	1.0
116.92851	2.1
137.06062	1.4
165.09209	1.2
168.13908	1.2
179.10797	1.3
181.70567	0.8
193.19684	0.8
233.79305	0.9
237.40057	0.9
262.71582	0.9
303.26950	2.1
305.08783	0.9
329.24838	1.2
347.25937	100.0
365.27008	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	365.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82807	21.0
55.11301	22.3
59.01371	100.0
74.21863	23.7
91.90985	25.3
92.98401	29.4
113.71573	26.2
115.35971	21.4
128.84021	22.2
148.30937	25.7
156.27571	23.4
201.02539	29.7
269.21274	35.6
274.72482	26.5
283.26511	30.4
365.26950	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.6
58.73179	0.3
59.01389	22.0
71.01382	8.3
72.99301	3.5
73.02932	0.6
75.00857	3.6
83.01368	0.6
85.02959	2.4
87.00835	0.6
89.02445	6.2
91.65498	0.4
95.01373	0.8
99.00883	0.6
101.02428	4.6
113.02449	3.4
116.05061	7.5
118.48507	0.3
119.03498	1.8
128.05043	1.5
130.06621	2.8
136.18387	0.3
142.06627	100.0
142.72058	0.3
143.06944	1.5
158.06114	12.6
186.05605	34.8
188.07240	0.4
204.06680	24.6
209.18022	0.4
246.07671	1.8
249.96007	0.3
254.19182	0.3
330.39789	0.4
330.54742	0.3
366.11975	57.3
367.12268	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	366.2653
Annotation	(5Z,8Z)-tetradecadienoylcarnitine
Peak:m/z	Relative Intensity
54.82744	1.0
56.34211	0.9
59.01377	2.3
60.99305	1.9
61.98825	1.6
71.41615	1.0
72.00893	2.8
72.04549	2.2
74.02468	100.0
79.16518	1.1
79.29498	1.1
90.54511	1.2
92.11770	2.5
104.03524	17.3
106.26743	1.1
116.92834	1.7
117.93311	1.2
149.20840	1.3
185.37697	1.2
244.08420	1.1
247.77400	1.1
261.22363	4.9
290.24774	1.6
292.26666	2.1
304.26428	22.6
318.24286	17.2
336.25476	34.8
337.25897	1.9
366.26532	71.8
367.22531	1.4
367.26923	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	367.1035
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
59.01204	0.2
59.01398	2.9
61.98822	0.3
64.34406	0.3
64.44810	0.2
73.02926	0.4
74.99094	0.4
81.03438	0.4
83.05030	0.7
85.02957	1.9
87.00866	0.5
89.03973	2.8
93.03458	2.0
106.04208	0.4
111.04504	3.0
113.25278	0.3
117.03456	8.7
119.05035	0.5
127.03999	0.3
129.01987	0.4
134.03732	100.0
135.04071	0.3
149.06085	5.9
155.03500	2.3
167.45236	0.3
173.04559	4.4
185.05338	0.4
191.05632	8.8
193.05058	72.4
307.21075	0.6
350.53717	0.3
367.10498	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	367.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78667	1.6
57.03462	6.0
59.01387	89.7
65.81831	1.6
68.99805	3.1
69.93554	1.7
71.01376	30.4
72.99293	7.9
73.02934	14.2
73.26833	1.6
75.00867	21.4
76.57800	1.4
85.02942	24.7
87.00856	10.4
89.02435	13.1
95.01371	3.7
99.00849	11.3
99.04507	1.7
103.00327	2.5
113.02440	27.7
115.00346	7.8
117.01926	3.1
117.05560	50.9
132.06636	2.1
175.02484	2.0
231.05127	3.4
249.06158	52.2
267.07187	7.3
309.08203	8.8
329.29300	1.8
349.11423	3.9
367.12442	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	367.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02990	1.4
58.36939	0.1
58.49189	0.1
58.59888	0.1
59.01384	0.3
59.03318	0.2
61.82584	0.1
61.98836	100.0
69.35672	0.1
77.46840	0.1
151.33095	0.1
168.13904	1.1
169.14293	1.4
170.14604	0.6
171.14946	0.1
279.09509	0.1
303.10269	0.1
371.17899	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	367.2644
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
69.15278	0.2
133.06581	3.1
137.97145	0.3
148.58675	0.2
149.09717	94.2
150.10010	1.6
175.70142	0.3
189.12921	0.5
202.76482	0.3
205.15987	100.0
206.16336	2.2
256.89105	0.3
329.27908	0.3
344.61261	0.3
367.26459	92.7
368.26682	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	367.2646
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
53.39421	0.2
54.58317	0.2
56.91853	0.2
61.63319	0.2
77.51375	0.2
87.00867	6.7
101.17174	0.2
107.51477	0.2
133.06578	12.1
149.09714	89.7
150.10010	0.6
187.09517	0.3
194.09496	1.1
205.15985	56.8
206.16382	0.4
279.23245	0.6
280.23792	0.5
295.17105	4.8
323.25977	0.3
328.16895	2.7
367.26434	100.0
368.26825	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	367.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
84.00864	2.3
127.27232	2.5
151.20244	2.1
159.75821	2.3
204.49829	2.6
258.90662	2.8
315.05408	2.5
321.31631	56.3
367.32162	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	368.3174
Annotation	Semiplenamide F
Peak:m/z	Relative Intensity
61.98838	0.3
63.64252	0.3
66.28365	0.3
71.05554	0.3
74.44980	0.3
82.49990	0.3
85.24502	0.3
85.62273	0.3
98.11419	0.3
128.10815	0.4
130.08734	100.0
183.05286	0.3
196.03030	0.3
217.04942	0.3
229.37050	0.4
235.01160	0.3
254.24934	0.8
324.32813	8.5
368.31741	66.6
369.27988	0.7
369.32352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2283
Annotation	Prostaglandin G1
Peak:m/z	Relative Intensity
57.03447	13.4
59.01374	11.1
64.92335	1.7
71.04999	3.7
77.23281	1.9
77.58630	1.8
83.05038	2.2
85.02939	11.8
87.04476	3.2
97.06585	18.1
101.06055	2.9
109.06528	6.4
113.09720	7.8
123.08167	21.0
123.51299	1.9
135.91104	1.9
137.09700	4.0
138.06841	4.2
139.11322	2.6
149.09677	2.5
151.38716	1.9
152.08440	10.4
167.10753	15.3
181.12245	3.1
193.16016	2.9
214.12173	7.8
219.17624	3.4
221.98943	2.0
222.99905	1.9
236.71523	1.9
249.18567	6.9
259.00598	2.1
263.20142	9.0
267.83691	2.0
289.21646	13.5
307.22818	7.9
325.23911	24.0
369.18188	3.4
369.22852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2282
Annotation	20-hydroxy-PGF2a
Peak:m/z	Relative Intensity
50.97099	0.4
57.03439	2.3
59.01387	3.5
64.34958	0.4
69.03444	2.5
71.01369	0.5
71.05014	6.7
73.02947	5.5
83.05025	6.7
85.02941	0.9
87.04498	0.7
95.05012	0.6
97.06578	0.9
99.04493	0.6
111.08122	1.8
117.38969	0.5
139.07637	0.7
151.11266	0.8
169.12378	0.7
181.15988	1.1
206.69394	0.5
207.13884	0.8
225.14954	21.7
237.14938	5.6
245.15321	0.7
263.16525	3.6
265.18036	2.2
291.19843	1.1
307.22961	0.6
309.20746	8.6
351.21747	0.5
369.22830	100.0
370.23251	2.3
392.71515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2436
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
56.69836	0.4
56.98525	0.5
57.07213	0.5
61.98802	0.5
64.34492	0.6
68.31513	0.5
104.02673	0.9
112.95451	0.5
115.92051	0.6
117.07115	0.8
120.39263	0.6
133.10219	2.5
134.31801	0.6
147.08128	1.2
149.09656	0.6
161.09645	1.2
163.11275	100.0
179.10767	23.5
187.11314	0.8
193.12341	20.0
215.52022	0.6
230.46472	0.6
251.20210	0.8
272.59723	0.6
280.14529	0.7
309.22156	1.4
337.21811	12.7
363.54184	0.7
369.24350	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	369.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	0.5
58.02979	22.6
59.01375	0.6
61.98829	0.9
67.82373	0.5
70.02599	1.4
70.02974	34.1
71.02502	2.3
74.18703	0.6
78.77742	0.6
79.68883	0.5
87.05627	3.3
94.90905	0.6
95.02501	1.5
96.00902	28.9
96.99277	0.7
98.01222	0.7
113.02847	1.0
113.03567	20.1
114.01962	42.6
131.03729	1.0
131.04623	21.1
229.19379	0.6
254.24899	38.6
255.25261	1.2
280.26474	6.9
298.23874	7.3
307.27380	2.2
308.26077	0.9
325.28574	3.3
351.26547	54.5
352.26965	1.1
369.27588	100.0
370.28027	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	369.2805
Annotation	Variecolol
Peak:m/z	Relative Intensity
51.11967	0.1
53.83915	0.1
59.01388	0.2
61.98836	0.2
72.31263	0.1
78.66341	0.2
79.05525	0.1
81.03448	3.5
83.15866	0.2
92.12366	0.4
93.03415	0.2
106.35581	0.2
108.02188	1.0
109.02925	0.2
118.03877	0.2
122.03735	8.7
123.00909	0.2
123.04523	1.4
125.02469	1.2
135.04520	13.4
136.05244	0.2
137.02461	1.2
139.40312	0.2
149.06085	2.9
154.02711	0.4
163.07660	0.7
177.09189	1.7
191.10794	1.7
205.12344	1.5
219.13948	1.8
233.15514	0.4
270.33694	0.2
300.44693	0.2
318.51746	0.2
327.26819	2.2
367.26489	1.4
369.28015	100.0
370.28159	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	370.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61246	1.6
59.01387	7.4
61.98833	13.0
71.01371	2.3
73.29060	1.6
74.02475	1.5
89.02443	2.0
91.05527	12.5
103.03996	2.7
116.92888	2.9
122.02434	20.4
128.03557	2.0
132.74458	1.4
136.04034	6.6
147.04520	40.7
166.05965	1.8
171.54034	1.5
182.29601	1.8
190.05115	100.0
370.11407	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	370.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97535	0.1
54.82919	0.2
58.94999	0.1
59.01384	8.2
60.01699	0.2
61.98834	100.0
70.02981	0.2
71.01387	2.2
73.02946	0.3
78.83984	0.2
83.05021	0.3
85.02972	0.3
89.02446	2.9
90.92632	0.2
98.02496	0.2
99.08159	1.8
101.02443	1.8
108.02192	0.4
113.02466	0.8
119.03526	1.3
121.02975	1.1
127.07632	0.7
145.08711	7.4
198.39619	0.2
249.06259	0.2
307.13995	17.3
310.21533	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0985
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
55.01887	1.4
56.79453	0.5
57.03450	3.2
58.00594	0.8
59.01386	40.3
59.63320	0.5
59.96427	0.5
61.98842	0.6
68.99835	0.9
69.03453	0.6
70.71998	0.5
71.01382	24.1
72.99303	7.8
73.02982	1.8
75.00867	17.3
83.01389	1.0
85.02457	1.1
85.02946	21.8
87.00879	8.4
89.02443	15.5
92.11778	0.9
95.01390	4.5
99.00862	11.1
101.02412	4.7
103.00381	2.9
111.00890	0.6
113.02440	20.5
113.72072	0.5
115.00337	1.4
117.01936	3.5
119.03516	2.9
120.32361	0.5
121.02946	100.0
122.03265	0.7
129.01965	0.8
131.03508	0.7
165.31030	0.6
175.02533	2.1
179.16805	0.6
193.03500	0.7
193.05174	0.6
231.05110	1.3
249.06174	17.6
353.08859	0.9
371.09833	54.4
371.13739	10.7
372.10355	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0984
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
50.93716	0.4
51.27332	0.4
54.98233	0.5
55.01883	0.7
57.03447	3.2
59.01381	21.9
59.01678	0.8
62.29430	0.4
66.16195	0.5
67.01873	1.1
68.99798	3.0
69.03450	1.3
70.24039	0.5
71.01377	18.3
72.99297	4.3
73.02927	3.0
75.00458	0.7
75.00864	17.5
75.95338	0.6
76.65431	0.5
81.03433	0.9
82.67590	0.5
83.01389	1.1
85.02942	21.3
86.98961	0.5
87.00864	8.0
89.02438	3.9
93.03417	0.9
95.01368	6.1
99.00858	9.9
103.00381	1.3
106.17959	0.6
111.00842	0.7
113.02447	18.7
113.03236	0.7
115.00349	2.8
117.01907	5.4
121.02940	100.0
122.03303	0.8
129.01932	1.3
175.02480	1.3
201.76724	0.6
217.81606	0.5
231.05093	4.8
249.06151	52.5
293.87338	0.6
303.10605	0.6
353.08926	2.4
371.09851	47.9
372.10211	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	371.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01381	1.9
59.94300	0.4
71.04994	0.8
72.76970	0.5
77.12101	0.5
93.03457	1.8
97.06577	0.5
101.89529	0.4
105.03453	0.5
106.80676	0.4
108.02168	0.9
109.02952	69.4
121.02953	6.2
131.04955	0.5
136.01649	21.0
137.02328	0.7
137.19177	0.5
145.02950	5.7
146.03726	1.0
147.04561	0.8
149.02437	2.3
150.03209	0.5
151.04005	22.0
158.03740	3.1
159.04521	13.5
160.05296	42.1
164.04814	2.7
174.03149	0.6
175.04089	1.7
175.07640	20.0
176.04745	0.9
197.06142	1.2
199.07732	0.6
211.07645	4.5
221.06090	2.7
222.06908	2.0
223.07587	1.9
237.05441	0.6
238.06316	1.1
239.07155	22.1
241.08493	0.5
249.05592	3.1
250.06346	7.9
265.05109	0.6
266.05930	3.7
267.06635	100.0
268.06995	2.2
281.08243	0.8
282.08981	70.1
283.09366	2.3
297.11331	48.7
312.10059	7.3
327.12405	62.0
328.12924	0.8
350.80902	0.6
353.65869	0.5
355.75662	0.6
371.11392	9.7
371.24411	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	371.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98396	0.9
55.23766	0.9
57.03442	1.8
59.01383	9.1
71.05008	5.5
83.05022	1.1
83.05774	1.0
84.75729	1.0
85.06599	1.4
89.24119	0.9
93.03433	1.7
108.02086	1.2
109.02953	74.0
121.02978	7.7
128.03419	1.1
131.05008	1.1
135.24033	1.1
136.01663	23.6
145.02980	6.4
146.96144	1.0
147.04509	2.2
151.04010	28.9
159.04533	12.4
160.05299	44.7
164.04822	1.0
175.04037	1.8
175.07629	17.3
189.05554	1.1
199.83125	1.0
211.07516	3.4
221.06067	2.1
222.07021	1.4
239.07161	19.3
249.05566	4.2
250.06261	7.4
266.05759	1.6
266.89246	1.0
267.06659	100.0
268.06915	1.8
282.09003	70.8
283.09351	1.9
297.11340	53.6
312.10086	7.9
327.12424	64.0
327.25372	4.5
328.12650	1.2
353.23242	1.3
371.11166	9.0
371.24417	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	371.1352
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
55.01883	1.8
55.16497	0.9
57.03456	2.2
58.00591	1.6
59.01385	100.0
61.69172	0.9
61.98834	8.3
71.01381	41.9
72.99297	6.1
73.02924	1.7
75.00896	1.7
82.95396	1.2
83.01386	1.8
85.02940	12.8
87.00875	5.9
89.02435	44.5
95.01400	4.7
96.95998	1.7
101.02435	24.5
113.02440	16.6
119.03486	18.3
121.02936	20.0
131.03586	1.3
143.03548	1.1
179.05655	1.5
209.04668	1.3
223.09525	1.2
249.06154	1.6
312.57343	1.1
316.37897	1.0
324.83829	1.1
334.15585	1.0
371.09842	6.2
371.13550	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1349
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
55.01892	0.8
57.03461	0.4
58.00603	0.9
59.01393	100.0
60.01755	0.2
61.98841	3.6
66.86427	0.2
67.43777	0.2
71.01387	17.0
72.99310	1.9
73.02953	0.8
74.12817	0.2
83.01391	1.2
85.02949	3.3
87.00893	0.5
89.02440	16.4
91.05531	0.3
95.01395	1.2
97.91750	0.2
99.00871	0.2
99.04541	0.2
101.02434	9.6
113.02441	5.9
117.03458	0.2
119.03487	6.7
121.02928	1.5
127.05117	0.2
130.08675	0.5
131.03487	0.2
135.20854	0.2
143.03526	0.4
146.68832	0.2
147.08133	0.3
149.04567	0.3
154.14116	0.2
155.91875	0.2
161.04613	0.3
163.11217	0.2
179.05608	0.9
191.07170	0.3
199.78778	0.2
209.04526	0.7
234.86406	0.2
371.13449	30.3
372.13742	0.4
390.34262	0.2
391.39951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1352
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
55.01883	1.8
55.16497	0.9
57.03456	2.2
58.00591	1.6
59.01385	100.0
61.69172	0.9
61.98834	8.3
71.01381	41.9
72.99297	6.1
73.02924	1.7
75.00896	1.7
82.95396	1.2
83.01386	1.8
85.02940	12.8
87.00875	5.9
89.02435	44.5
95.01400	4.7
96.95998	1.7
101.02435	24.5
113.02440	16.6
119.03486	18.3
121.02936	20.0
131.03586	1.3
143.03548	1.1
179.05655	1.5
209.04668	1.3
223.09525	1.2
249.06154	1.6
312.57343	1.1
316.37897	1.0
324.83829	1.1
334.15585	1.0
371.09842	6.2
371.13550	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	5.1
59.01384	15.0
68.51144	0.9
68.85426	0.9
73.25720	0.9
79.31834	0.9
80.29309	1.2
99.08148	24.8
117.35965	1.1
121.02920	1.3
127.07652	2.6
129.09193	35.1
129.10121	1.8
150.59050	1.0
183.13898	54.8
195.13916	5.6
223.13161	1.7
267.12173	1.7
277.21753	4.7
283.69980	1.1
295.22818	10.3
311.22342	1.5
313.23871	77.9
317.20966	1.6
335.22009	13.5
371.19736	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2191
Annotation	TMC-96
Peak:m/z	Relative Intensity
51.85661	0.3
53.21483	0.3
56.05173	0.3
59.01385	7.1
61.98838	0.4
68.56758	0.3
71.01386	0.5
73.02985	0.3
77.69559	0.4
81.03452	18.8
83.05024	70.6
85.02961	0.8
87.00871	0.3
100.07678	21.3
101.02425	0.3
116.92931	0.4
117.24991	0.3
121.02962	1.4
126.05600	1.5
127.04009	1.5
145.05058	0.6
182.15509	1.4
199.18182	15.5
207.15060	0.7
207.46310	0.3
225.16103	14.9
226.14522	0.7
243.17149	43.9
244.17526	0.5
249.13342	0.6
269.15039	3.4
309.21851	1.9
327.22858	1.4
335.17029	0.5
353.20865	13.2
371.21893	100.0
372.22162	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	371.2442
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
50.36584	0.4
51.53441	0.4
57.03452	5.0
59.01389	6.4
65.37286	0.4
69.03446	2.9
71.01375	0.5
71.05016	2.6
71.85241	0.5
73.02935	3.0
76.58588	0.6
81.03467	0.5
81.74773	0.5
83.05032	7.4
85.02955	1.1
87.04514	1.1
90.67485	0.4
95.05003	0.6
97.06574	4.9
99.04509	0.4
101.06044	0.6
111.08150	0.9
113.06135	0.5
127.11292	2.4
129.05568	2.6
137.09760	0.5
138.06825	0.7
141.05566	1.0
151.11296	0.8
153.12796	0.9
157.12341	0.9
169.12402	0.7
171.13860	0.9
197.15395	0.9
213.18687	1.0
227.16530	39.4
229.18091	0.7
233.19237	0.6
239.16542	11.3
239.20306	0.7
246.14703	0.5
249.08867	0.5
249.18645	1.2
251.16441	0.8
257.38907	0.5
265.18076	4.8
267.19666	1.8
269.21225	2.2
293.21265	2.8
311.22290	13.8
313.20224	4.8
327.25381	1.0
341.23581	1.8
353.23508	1.2
371.24423	100.0
372.24585	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	371.2439
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
57.03189	0.7
57.03453	11.9
59.01372	3.3
69.03439	1.4
71.05023	6.1
72.02155	0.8
73.02914	0.9
81.07072	0.6
83.05003	0.9
85.02941	3.5
85.06567	3.2
86.11665	0.5
87.04507	15.8
93.69596	0.6
96.96004	0.7
97.06602	5.7
99.08150	14.2
101.06061	1.1
107.05058	0.6
109.02926	0.8
109.06584	3.3
111.08147	4.1
113.09730	4.9
123.08179	4.1
125.09702	3.3
127.07610	0.8
129.05496	0.7
129.09204	7.9
135.08138	1.2
137.09734	1.1
138.06877	2.9
139.11314	4.2
141.12842	1.2
141.34779	0.6
143.10777	15.6
151.11284	1.0
152.08488	1.1
153.09218	5.4
155.10739	1.3
157.12378	1.3
157.96437	0.5
160.05229	0.6
167.10738	4.0
168.11490	1.1
169.12347	6.1
181.12245	0.6
183.13930	2.4
187.13385	10.5
215.12971	1.0
216.13684	11.1
217.14323	0.7
219.17552	0.9
251.20007	1.2
263.20105	2.3
265.21582	1.0
275.20117	1.3
289.21851	0.9
297.11725	0.6
309.24567	1.2
325.23972	1.1
327.25415	43.6
353.23340	0.9
371.24405	100.0
372.24689	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	371.2959
Annotation	(+)-Dysideapalaunic acid
Peak:m/z	Relative Intensity
54.82801	1.2
59.01392	1.5
59.72795	1.4
61.30117	1.4
61.98825	1.5
64.42605	1.2
69.39182	1.4
74.39111	1.3
81.03458	3.7
122.03709	1.9
129.05174	1.6
135.04497	3.2
143.96559	1.4
158.23579	1.5
202.38184	1.6
270.13251	1.7
329.28381	3.2
371.29550	100.0
382.10284	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62554	0.7
55.01865	2.0
57.03439	3.7
59.01111	1.1
59.01385	25.8
63.12397	0.9
67.01873	1.3
68.99797	5.2
69.03442	1.9
71.01373	22.8
72.99291	5.4
73.02950	1.6
75.00862	20.1
76.57774	1.0
77.54147	0.9
81.03442	1.4
83.01375	1.9
84.45403	0.8
85.02943	20.7
87.00855	7.1
89.02424	5.6
95.01357	5.4
99.00858	10.4
101.30267	0.9
103.00359	1.4
110.10609	0.8
111.00885	1.1
113.02440	24.2
115.00327	1.6
117.01907	5.2
122.02466	87.6
129.01878	1.3
157.01390	0.8
175.02367	1.2
189.04095	1.4
231.05095	3.5
232.33960	1.0
249.06145	100.0
327.01392	0.9
328.23721	1.0
372.09366	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	372.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19141	62.6
59.01381	89.6
98.41168	88.8
123.18517	90.6
135.63193	87.1
144.61491	99.2
275.89160	91.5
361.60397	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	372.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83045	20.0
59.01380	100.0
64.30308	21.2
67.27927	24.6
68.97655	24.2
98.01450	25.4
99.92574	23.4
145.73250	22.7
178.37048	22.0
210.74205	28.6
266.80679	28.2
268.27383	33.1
332.02856	22.8
372.31769	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	373.1295
Annotation	Clauslactone N
Peak:m/z	Relative Intensity
52.66527	0.4
55.07392	0.5
57.03446	0.8
59.01369	2.5
87.04484	0.5
91.01871	2.8
91.05518	0.4
92.11723	0.5
93.03443	2.5
99.04494	0.5
108.02152	2.2
109.02930	25.4
109.03676	1.1
117.03456	1.1
121.02936	24.5
122.03718	2.9
123.00798	2.1
123.04478	3.9
124.01605	1.1
125.09707	1.0
131.04921	0.8
133.02881	0.6
134.03723	7.4
135.04494	2.4
136.05295	5.6
137.02432	4.5
137.14876	0.5
138.03244	1.1
146.03719	13.5
147.04515	68.7
148.05292	12.3
149.02380	2.3
149.06096	0.8
150.03209	9.0
151.04007	3.8
152.64224	0.4
154.02672	0.6
158.03731	3.4
159.04503	28.6
160.05278	24.0
161.02455	5.1
161.06068	25.3
162.03212	3.0
162.06851	3.7
163.03983	6.4
164.04776	4.5
168.04279	3.2
173.06076	2.1
175.07628	18.2
177.05554	4.8
178.06332	3.4
179.03453	2.6
187.09827	0.7
193.04968	0.6
193.08655	1.0
227.68471	0.5
236.05055	0.5
252.07948	1.1
253.08678	0.8
267.06543	1.2
268.07397	19.2
269.08173	7.9
280.53775	0.5
282.08957	1.1
283.09787	28.5
284.10541	34.1
297.11374	3.5
299.12878	10.8
313.10785	2.9
314.11530	0.6
329.13965	100.0
330.14227	0.9
373.12949	27.2
373.25873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1869
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01870	1.3
57.03435	2.2
58.00593	2.2
59.01385	100.0
60.48562	1.2
61.39302	1.1
62.89346	1.3
71.01378	39.0
73.02941	2.0
74.97717	1.4
83.01385	2.5
85.02935	8.4
87.00864	2.3
89.02433	37.5
92.09041	1.3
92.66039	1.4
95.01398	2.8
101.02422	24.0
103.18447	1.2
109.02853	1.3
111.35972	1.5
113.02434	9.6
119.03474	19.5
128.28197	1.3
149.06071	7.1
151.03973	1.6
159.01932	1.3
163.03976	1.9
179.05606	1.6
186.15033	1.4
188.13802	1.5
193.12344	6.2
211.13336	1.5
313.10760	2.2
373.13635	3.1
373.18628	36.7
373.25876	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	373.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46912	0.3
57.49081	0.2
59.01373	1.7
59.32350	0.3
68.01398	0.5
80.85789	0.3
81.51143	0.3
86.01442	0.3
90.44364	0.3
215.99588	0.4
224.35016	0.3
275.20334	0.3
277.21719	100.0
278.22037	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	373.2594
Annotation	oscr#24
Peak:m/z	Relative Intensity
53.67672	0.4
57.03455	2.9
58.75690	0.4
59.01383	3.0
69.03454	2.1
71.01389	0.9
71.05024	0.5
73.02947	3.0
79.10027	0.5
79.99496	0.4
84.60203	0.5
87.04470	0.6
92.01585	0.5
111.08105	0.5
114.38966	0.5
137.09709	1.1
153.12813	0.4
177.69060	0.4
183.17400	0.6
189.09442	0.5
199.13423	8.5
227.16646	3.3
269.21237	2.2
285.20682	11.6
295.22873	0.6
311.22461	3.6
313.23849	14.7
319.22601	0.4
325.23883	9.4
327.21530	0.7
329.23398	4.0
337.23923	0.7
355.24979	2.1
373.25967	100.0
374.26279	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	373.2596
Annotation	oscr#24
Peak:m/z	Relative Intensity
55.05960	0.6
57.03453	6.0
59.01111	0.9
59.01386	18.2
69.03438	1.3
71.01376	0.9
71.05010	2.6
73.02927	4.1
74.49386	0.6
76.63828	0.6
85.02947	1.1
85.06606	0.8
87.04501	4.9
97.06578	3.4
99.04518	0.7
111.08179	1.3
113.09693	2.8
115.07632	0.9
116.47643	0.8
127.11283	0.9
129.05609	0.8
137.09697	0.6
139.07599	0.8
142.75133	0.6
183.86252	0.7
249.18565	0.9
263.58301	0.7
285.20718	10.8
295.22855	1.0
311.22287	2.6
313.23880	8.6
325.23837	7.8
329.23444	2.3
329.26834	0.8
355.24948	4.4
373.25989	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	373.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01801	0.2
58.12603	0.2
59.01382	100.0
61.98841	0.4
68.81409	0.3
73.98299	0.3
74.02462	1.1
76.57549	0.2
93.98308	0.2
116.92874	0.3
125.54160	0.3
138.17375	0.3
145.18651	0.3
277.28036	0.3
337.25677	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.3111
Annotation	Dolichoic acid-[18-20]
Peak:m/z	Relative Intensity
81.03437	2.1
88.08566	1.0
94.37397	1.0
96.08816	0.9
116.92837	1.1
129.55319	1.0
135.04462	1.7
232.46988	1.1
283.26340	1.7
331.30115	5.9
373.31152	100.0
374.31482	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	374.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07703	0.4
59.01390	13.7
61.98840	100.0
100.23547	0.5
116.92900	0.8
132.98129	0.6
134.69458	0.5
142.05939	0.5
174.99248	3.9
175.74132	0.5
217.00294	9.7
268.63458	0.5
293.01050	0.6
336.60959	0.6
374.24707	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11768	0.3
59.01386	100.0
60.01709	0.3
61.98834	2.6
63.07037	0.2
92.12276	0.3
106.82650	0.2
113.13921	0.3
116.92847	0.5
137.45071	0.2
174.99187	3.0
193.16072	0.3
217.00302	7.4
222.57938	0.3
223.20741	1.3
253.21886	1.2
265.58066	0.3
265.68710	0.3
282.24561	0.3
314.27234	1.7
374.99393	0.4
391.11743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68990	1.0
59.01387	58.2
59.01688	2.2
61.98825	1.2
62.89055	1.1
64.23669	1.1
67.39091	1.1
71.01389	13.1
80.89085	1.1
84.01742	1.3
85.02969	2.1
85.06576	10.9
87.31958	1.3
89.02431	20.2
101.02421	10.7
111.24749	1.5
113.02459	6.9
113.06091	2.3
115.07644	2.1
119.03492	6.1
125.00697	2.4
131.07129	57.2
150.03244	1.7
153.37663	1.2
171.05173	1.4
173.08121	1.5
174.99249	3.0
178.02705	2.9
213.06212	2.3
217.00293	17.7
223.54498	1.0
235.15027	1.3
276.22424	1.4
293.12445	100.0
294.12720	1.4
306.43872	1.4
314.90652	1.4
315.10571	7.1
326.20407	1.2
327.17792	1.2
375.12241	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	375.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69506	0.7
57.03428	1.0
59.01383	100.0
61.16395	0.8
61.70361	0.9
61.98823	0.9
71.01380	14.8
73.02932	1.2
77.51691	0.9
83.01398	1.2
85.02929	4.1
85.06573	7.8
89.02424	11.2
101.02440	8.8
111.93958	1.0
113.02427	7.0
113.06100	1.3
119.03474	4.6
123.00880	6.4
130.06221	1.0
131.07124	36.0
138.03220	8.4
153.05542	5.3
153.32686	1.0
161.04538	6.3
171.05098	1.0
173.08083	1.1
174.99304	7.2
178.02785	0.9
190.04944	1.1
217.00269	14.7
293.12445	59.0
315.10687	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	375.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65342	0.5
54.82874	0.7
54.89008	0.5
55.01880	3.5
57.03450	3.2
58.00595	1.2
59.01390	58.7
67.01929	0.7
68.04349	0.6
69.03461	2.9
71.01391	33.4
71.05038	0.8
72.99317	1.3
73.02956	5.6
76.57940	0.7
83.01373	1.5
85.02970	13.1
87.00869	1.2
89.02446	23.7
93.07968	0.7
94.04233	2.7
95.01376	3.0
95.05018	7.3
96.21337	0.6
97.06577	3.7
98.03734	13.2
101.02448	14.5
107.05025	9.5
113.02445	11.8
119.03477	6.1
123.08178	1.0
135.08192	1.5
136.08943	0.8
141.12801	1.1
143.03505	0.8
149.09665	5.1
151.11290	98.4
152.11668	1.6
154.09987	2.9
158.46848	0.7
161.04553	3.1
169.12340	19.3
177.09241	0.7
195.10272	100.0
195.21136	0.7
196.10675	1.5
198.10378	0.6
209.88364	0.6
213.11389	1.3
219.92497	0.7
257.37216	0.6
282.69617	0.8
375.27597	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
60.25177	0.7
67.48756	0.7
71.70708	0.6
72.10424	0.7
73.48727	0.7
74.99054	0.8
78.95892	1.7
92.11676	1.4
93.00122	3.7
93.39069	0.7
116.92873	1.1
159.08453	11.3
161.06433	4.9
163.11253	4.1
187.33440	0.8
209.01292	1.5
217.07220	1.3
221.15538	0.7
241.91010	0.7
275.05966	1.0
277.07449	3.2
279.23337	8.6
289.07599	2.7
291.09125	96.9
292.09250	1.4
309.10184	2.9
339.23288	0.9
357.13858	3.8
359.15399	100.0
360.15479	5.4
375.18674	7.8
377.16254	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	375.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98847	3.5
75.00890	3.0
96.52731	1.9
99.92579	100.0
100.92590	35.0
101.92418	4.0
115.92064	15.8
116.92127	3.2
116.92867	15.7
117.92870	4.8
118.89980	31.6
119.89977	26.5
120.89693	41.7
125.16914	1.8
134.89465	8.2
135.75197	2.3
135.89369	2.6
135.90266	13.6
136.90263	12.3
137.89960	16.5
150.09628	2.1
157.53123	2.2
161.32349	2.2
161.97597	2.1
163.11223	3.2
196.04622	2.1
209.37022	2.3
221.68341	2.0
224.81520	2.3
255.23274	26.0
338.15610	14.3
339.15790	15.2
375.13489	72.1
376.13083	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	375.275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33601	1.7
57.58425	1.8
59.01381	2.1
61.98821	3.2
72.16480	1.8
78.95884	4.6
131.46921	2.3
197.01057	2.4
207.05878	2.4
238.96893	2.3
279.23282	100.0
327.94235	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	375.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41644	7.0
57.03456	11.7
59.01378	49.7
62.12866	8.6
69.03459	8.6
71.01403	14.5
71.05013	38.2
73.02957	16.4
89.95210	8.9
93.53703	9.5
98.20274	11.1
99.04497	9.1
101.06061	10.5
101.89921	9.0
112.30514	10.1
115.07670	35.8
131.07126	15.3
151.00459	9.2
155.10742	10.7
166.02721	39.0
181.05043	36.5
217.14455	95.1
219.49597	8.6
258.72418	9.1
345.45154	11.3
375.27631	100.0
396.35867	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	375.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34290	6.8
65.69369	6.8
66.21929	7.2
67.93758	5.9
89.03237	7.3
92.11675	7.4
92.65739	7.1
126.41867	6.4
153.09625	7.0
163.11250	100.0
172.77654	6.6
177.54614	6.8
179.44424	6.9
195.37209	7.6
214.18256	6.7
291.09213	17.0
339.23325	58.4
359.15359	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	20.9
59.01379	44.4
63.96238	6.7
71.01376	34.9
71.05017	6.4
73.02940	57.1
85.06586	4.7
87.00876	4.0
91.32585	4.2
94.48808	3.9
97.06606	8.8
103.03990	8.9
108.62994	4.3
111.08134	6.0
117.97272	6.6
125.09701	4.6
127.11297	23.5
135.98355	18.5
136.01654	59.6
137.09747	29.7
141.09311	3.9
143.10727	4.2
151.04018	37.2
155.10844	5.0
171.13907	17.1
193.01450	5.9
198.91229	4.9
201.14975	100.0
202.08679	4.3
223.06111	7.4
252.02763	5.4
272.06839	5.4
375.10880	4.7
375.27509	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
69.89101	0.2
72.71073	0.2
138.34238	0.2
142.93707	0.2
242.27254	0.2
271.22763	0.2
277.21930	0.7
349.04404	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25002	0.2
59.01381	3.2
60.01704	0.2
61.01804	0.2
61.98831	100.0
74.86418	0.1
76.50832	0.1
85.05840	0.2
110.40237	0.1
117.78951	0.2
218.00444	0.2
288.68774	0.2
329.26425	0.2
341.10510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29955	0.1
59.01394	0.8
60.01722	0.2
60.94817	0.1
61.98831	100.0
70.18408	0.1
148.87384	0.1
215.76041	0.1
294.12466	0.1
303.32178	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	376.2858
Annotation	Madangolide
Peak:m/z	Relative Intensity
55.40977	0.5
59.01379	1.3
60.64364	0.5
61.98823	2.5
64.80382	0.5
70.86308	0.5
77.24325	0.5
88.98808	0.5
92.65843	0.5
113.42416	0.7
114.09234	1.4
116.07166	100.0
117.07494	0.7
188.91641	0.6
210.16495	0.5
213.18753	0.8
332.29990	0.6
376.28613	53.9
377.28925	1.1
389.19205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01728	0.5
61.98832	20.5
64.34634	0.4
65.72520	0.3
71.19041	0.3
82.95417	1.3
92.12273	0.6
96.72588	0.4
116.92847	0.4
152.89436	0.4
168.35527	0.3
184.26755	0.4
201.02623	0.5
218.00748	0.4
246.43329	0.4
285.78149	0.3
376.25262	1.6
377.08942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15456	0.2
59.01385	100.0
60.61541	0.2
61.98839	0.4
80.06603	0.2
83.93312	0.2
92.12268	0.2
117.18533	0.2
123.52584	0.2
136.96828	0.2
253.21861	0.9
255.23393	1.0
271.58044	0.2
277.91513	0.3
316.28592	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	376.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26529	0.7
59.01385	100.0
60.01755	0.7
71.50492	0.7
84.21484	0.9
192.56033	0.9
253.21796	1.3
316.28574	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59610	0.3
54.82724	0.3
59.01372	1.5
71.01378	21.7
72.99301	5.4
87.00853	0.8
89.02444	3.9
97.22598	0.3
108.75117	0.4
115.00364	59.3
130.08714	0.7
132.21814	0.3
133.01419	100.0
133.05078	1.7
134.01778	0.4
341.10916	1.5
377.08676	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	377.1427
Annotation	Abafungin
Peak:m/z	Relative Intensity
59.01388	0.4
59.10402	0.2
60.20503	0.3
61.98826	0.3
84.93886	1.1
99.92579	69.9
100.92619	1.0
100.93352	4.8
104.09492	0.3
115.92072	34.3
116.92853	100.0
117.92860	1.7
117.93651	0.3
132.92302	0.3
137.45709	0.3
160.56944	0.3
221.35934	0.3
224.03027	0.3
277.21716	1.6
279.22455	0.5
282.05841	0.4
290.06161	0.5
299.05899	0.6
308.07364	2.1
315.14359	0.3
333.15262	1.1
341.11102	0.4
359.13232	1.7
373.11209	2.6
374.12027	0.3
377.14294	44.4
378.14404	1.4
387.09409	0.5
391.12219	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	377.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01107	0.8
59.01386	18.0
61.98840	0.7
65.39359	0.5
73.44958	0.6
80.91675	2.3
84.35043	0.5
87.70705	0.5
89.85664	0.5
92.12360	1.3
95.05029	7.1
102.59907	0.6
104.59748	0.7
107.13684	0.5
113.09720	3.9
166.49644	0.5
181.12379	0.7
195.13908	22.6
217.12225	0.9
241.08138	0.5
249.11235	0.8
251.23911	0.7
277.21713	20.6
278.11407	6.7
295.22784	100.0
299.19571	0.8
315.19406	0.9
317.20981	42.9
361.19958	5.7
377.22977	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	377.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.0
59.01387	36.6
61.98826	0.6
69.77438	0.4
80.00481	0.5
80.32346	0.4
81.44187	0.5
82.26662	0.5
83.05038	0.5
88.52055	0.4
92.11771	1.0
92.43761	0.5
99.08146	0.8
99.42535	0.6
100.76410	0.5
108.64064	0.5
113.09719	3.2
114.49682	0.6
155.19347	0.5
179.14394	2.1
183.13820	5.5
195.13892	21.1
205.87071	0.6
207.51463	0.5
208.60521	0.5
233.22762	0.6
251.38620	0.5
274.14182	0.5
277.21707	20.8
289.09177	0.6
295.22791	100.0
296.22952	0.8
317.20944	0.9
377.23102	34.1
394.48065	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19641	0.8
53.40300	0.8
56.25082	0.9
59.01117	1.4
59.01390	38.3
61.98846	3.4
62.29979	1.0
92.65683	1.1
94.82422	1.1
114.39413	1.3
116.92860	1.3
162.83949	1.1
171.10274	27.7
183.10268	2.6
236.21452	1.2
277.21753	45.4
287.70398	1.3
295.22812	100.0
317.20993	4.5
373.07889	1.2
377.23166	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	377.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	8.9
63.67072	4.3
82.99056	4.7
83.05013	4.4
95.05012	66.8
134.98431	5.1
150.05536	5.6
157.09840	44.7
209.12962	100.0
217.86815	4.9
218.69968	5.4
221.12949	29.5
225.71655	5.7
245.19087	22.8
271.01379	5.1
295.39557	4.9
359.26968	92.8
380.89664	5.5
388.02039	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	377.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36230	2.1
54.28819	2.1
57.03444	9.6
58.00595	2.1
59.01382	16.3
66.12534	2.0
71.01398	6.0
73.02953	26.7
85.02957	32.7
87.04510	9.7
97.06569	2.4
110.76321	2.3
137.09703	4.4
137.65887	2.4
148.11584	2.1
169.12349	3.0
185.15532	2.6
200.29698	2.2
213.18590	5.9
271.22754	3.7
299.25974	4.8
315.25354	4.2
377.29077	100.0
377.33719	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	378.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63591	0.6
57.03438	0.8
58.00583	0.7
59.01385	15.3
61.98831	5.4
68.63943	0.7
71.01043	1.0
71.01385	14.8
72.99294	3.2
73.02917	0.8
83.01369	1.2
85.02927	1.3
89.02444	15.1
92.12344	1.6
101.02418	5.0
107.03767	1.0
108.04553	100.0
113.02407	3.0
117.28962	0.6
118.02962	11.5
119.03463	3.2
134.02481	49.8
134.06081	0.9
135.02798	1.4
143.03494	4.2
144.04597	0.8
160.08089	0.8
162.01907	4.8
162.05630	14.5
180.03040	1.7
180.06667	45.4
192.06656	0.9
233.06705	1.2
276.08621	1.1
342.08508	5.2
342.11969	70.1
343.12247	0.9
377.21680	1.6
378.22055	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	378.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16209	0.8
51.68523	0.8
59.01373	5.0
61.98842	6.2
64.85085	0.7
66.05121	0.8
71.01308	0.7
92.11709	1.8
108.04550	81.4
114.93366	0.9
116.07251	1.0
118.02979	16.2
126.15502	0.8
142.08240	0.9
150.58411	0.9
156.93033	0.9
162.05493	1.0
180.06662	100.0
180.61418	0.9
181.07039	1.3
197.78676	0.8
204.01338	0.9
342.11899	14.6
378.09369	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	378.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
57.03460	2.1
59.01111	1.8
59.01393	50.1
60.72578	0.8
61.92474	0.8
61.98845	11.9
63.49906	0.9
65.61827	0.8
71.01391	22.2
72.99313	1.6
73.02965	7.3
80.05107	1.3
83.01382	2.3
85.02958	16.8
86.77588	0.9
87.00893	1.1
89.01941	1.4
89.02441	18.2
95.01394	1.5
99.00854	1.0
101.02443	12.7
113.02435	8.7
119.03498	4.0
130.08737	20.8
136.39795	1.0
137.07597	1.0
138.05595	2.1
138.09291	1.5
142.12386	13.3
154.12369	18.2
168.10269	3.9
170.10535	1.4
170.11864	25.6
172.13451	1.0
173.44695	1.2
185.08313	1.0
196.06155	1.4
198.11363	69.6
216.12405	20.4
219.97731	1.2
286.60880	1.4
303.97745	1.2
329.61682	1.1
343.09647	1.2
377.18076	1.5
378.17737	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	378.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	62.5
61.98826	12.6
71.01384	27.7
71.14966	1.2
73.02952	9.5
79.14667	1.0
80.98482	1.2
82.11330	1.2
83.01366	2.0
85.02947	15.3
85.33694	1.2
89.02435	20.2
101.02419	12.9
113.02436	7.8
119.03472	7.0
129.01955	1.2
130.08722	31.9
136.04015	1.8
138.05620	7.1
142.12383	12.2
142.87573	1.7
148.01627	1.5
154.12373	21.5
164.03575	1.6
168.10291	2.9
170.11848	24.4
196.06148	5.9
198.11374	93.9
198.13210	3.2
200.12872	1.2
216.12392	15.4
279.79675	1.3
307.25836	1.4
318.07910	1.5
374.66681	1.5
378.17746	100.0
378.21497	4.3
379.18338	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	378.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61137	0.1
58.02972	0.7
59.01381	0.2
61.98809	0.2
92.31989	0.2
114.09251	2.6
116.07166	100.0
117.07497	0.4
126.09266	0.4
334.31140	1.6
378.30170	55.9
379.30606	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1583
Annotation	DMH-1
Peak:m/z	Relative Intensity
58.31942	0.3
68.95360	0.3
71.70081	0.4
72.75910	0.3
75.64976	0.3
84.93884	1.8
99.92575	67.3
100.92601	1.5
100.93345	5.5
110.52280	0.4
115.92062	29.4
116.92846	100.0
117.92853	1.6
131.68239	0.3
132.92387	0.4
172.91692	0.4
215.44984	0.4
335.16675	0.6
361.14520	0.6
375.12631	1.8
379.15839	50.3
380.16049	2.5
393.13803	2.3
401.75891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40960	0.2
59.01110	0.5
59.01381	9.4
61.98827	0.5
62.54866	0.3
64.50639	0.3
76.71856	0.3
78.69184	0.3
78.98519	0.3
80.26321	0.3
80.91664	0.8
95.68815	0.3
99.92609	0.4
251.23804	1.7
279.23224	0.8
295.22794	0.8
297.24350	100.0
298.24649	1.4
317.20987	2.9
319.22534	2.5
363.21518	1.3
379.24695	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	379.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91847	0.9
59.01381	4.6
60.10033	1.2
61.98817	3.9
62.18554	1.1
88.49046	1.2
91.79083	1.3
97.37770	1.3
116.92854	1.6
134.71837	1.5
146.21312	1.3
188.90355	1.4
251.20152	44.8
255.33574	1.4
260.20813	1.3
277.18106	8.7
295.19156	100.0
296.19635	1.3
297.24359	2.2
404.48022	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	379.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60144	94.4
79.56435	78.8
136.23466	86.9
167.03143	84.3
190.13351	100.0
217.67007	84.0
219.07480	89.4
236.74200	99.8
395.43372	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1566
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
54.07666	0.4
55.01881	0.5
57.03450	0.5
59.01389	26.0
61.99673	0.4
71.01390	37.7
71.04669	0.5
71.05023	8.5
72.22996	0.4
72.27319	0.4
72.99313	0.5
73.02948	0.8
75.00861	0.8
82.42014	0.4
83.01388	1.8
83.90560	0.4
84.21016	0.4
85.02961	5.9
87.00876	1.0
88.04047	7.0
89.02451	10.4
92.22652	0.4
95.01409	0.6
99.00848	0.5
99.04507	2.4
101.02448	10.0
101.82423	0.5
113.02449	6.2
116.03552	0.9
116.07127	1.8
119.03525	3.2
128.07178	4.0
129.05606	2.3
133.05586	0.4
138.29716	0.4
146.08237	69.4
161.04581	1.9
200.09276	1.0
218.10437	0.6
263.11530	0.8
308.13535	5.3
362.14893	0.8
379.12469	0.5
380.15683	100.0
381.15942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57321	0.2
59.01108	0.5
59.01388	10.5
61.98827	2.3
72.99309	1.2
75.00870	100.0
76.01163	0.2
82.73306	0.2
87.00864	1.7
92.05070	0.3
93.03461	0.4
108.04570	1.3
109.02951	1.7
123.00874	2.0
124.01662	5.8
134.02477	2.7
135.03279	1.5
136.01677	1.3
136.04031	5.7
139.03993	4.1
151.04062	1.4
174.99289	2.5
217.00320	8.6
288.12952	0.4
288.16092	11.9
311.51907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98821	0.2
63.12206	0.2
63.38135	0.2
65.12501	0.2
65.98829	0.2
67.21071	0.2
67.42182	0.2
104.23630	0.2
111.64066	0.2
131.73123	0.2
139.23007	0.2
320.26166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.3
61.98838	1.9
72.00871	0.4
72.04543	4.0
74.02479	100.0
96.96002	0.6
118.05103	3.3
131.38669	0.4
211.36299	0.4
217.00348	3.2
218.70328	0.5
271.92938	0.4
279.23297	0.5
290.24887	4.8
292.26517	5.6
299.20187	10.2
318.24466	19.9
318.27985	3.1
336.25479	49.8
337.25729	0.8
345.11246	0.4
380.28076	30.4
381.20010	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	380.317
Annotation	Besarhanamide A
Peak:m/z	Relative Intensity
52.68688	0.4
59.01383	3.0
59.46427	0.5
61.98826	0.9
77.66328	0.5
89.50879	0.5
101.06824	0.5
101.29208	0.5
114.09209	1.0
116.07169	100.0
151.14801	0.5
158.15086	0.5
234.03049	0.5
276.53729	0.5
295.26453	0.6
304.82977	0.6
336.32870	3.6
380.31720	61.4
381.32153	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32693	6.0
59.01379	100.0
60.03479	6.9
61.98830	43.8
71.01363	11.0
73.23280	5.9
89.02464	8.2
108.04546	14.5
109.04884	10.7
124.73865	7.7
134.02475	16.2
135.02776	10.4
174.99213	10.1
217.00301	17.8
252.86852	8.8
285.92786	7.8
343.12350	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	381.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.0
56.45987	1.1
57.03459	80.1
57.03745	3.0
59.01387	100.0
59.39973	1.1
71.01382	18.6
72.99297	1.4
73.02947	12.6
74.47796	1.2
81.03447	1.8
83.01392	2.8
85.02936	15.2
87.00879	1.4
88.33354	1.3
89.02423	4.8
92.11750	1.6
93.72527	1.1
95.01373	2.0
97.02949	1.2
99.00903	1.7
99.04514	44.0
101.02442	34.7
101.48215	1.1
113.02465	11.8
114.39050	1.4
119.03542	2.0
125.02433	19.0
159.03018	1.8
161.04546	13.1
174.99239	6.0
217.00322	20.6
237.09824	36.3
279.10849	10.7
381.13724	9.8
381.18213	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	381.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82748	0.8
55.01879	0.9
57.03441	3.4
59.01107	1.4
59.01384	30.4
65.13457	0.6
67.01884	1.2
68.99800	4.3
69.03452	1.9
71.01383	21.9
72.99293	5.2
73.02909	1.3
73.13880	0.8
75.00508	1.1
75.00868	16.2
81.99215	0.7
82.14172	0.8
83.01364	3.2
85.02458	1.3
85.02944	24.7
85.06589	44.3
86.02512	0.7
87.00877	6.8
89.02439	10.5
91.03976	1.2
93.03420	1.2
94.48634	0.7
95.01359	3.7
99.00883	9.6
101.02415	1.9
103.00379	0.9
108.04499	0.8
109.02933	1.5
111.04534	0.9
113.02447	19.7
115.00372	1.2
117.01934	3.7
119.03464	1.4
119.42305	0.8
129.01936	0.8
131.07135	100.0
141.35130	0.8
145.71747	0.8
158.06085	3.4
175.02422	1.5
189.03909	1.4
231.05052	3.1
249.06165	87.7
323.13553	6.4
381.09973	2.1
381.13934	53.7
381.17487	3.0
382.11047	0.8
389.93994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
79.86045	0.2
84.93878	1.1
88.04037	0.4
96.95994	0.4
99.92574	57.0
100.93359	3.0
115.91221	0.5
115.92072	32.0
116.92852	100.0
117.92885	0.5
117.93637	0.4
118.07465	0.3
127.95673	0.3
131.91547	0.3
132.92310	0.2
134.43451	0.2
149.09708	0.4
163.11250	0.4
251.23787	0.4
273.25497	0.2
281.24847	0.4
319.17429	0.2
337.18478	0.3
351.16351	1.2
363.32742	0.4
369.17300	1.1
381.17410	55.2
381.33704	7.0
382.17441	1.1
395.15308	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16106	0.2
57.03432	0.2
58.00599	1.7
58.00829	0.3
59.01388	6.2
61.98816	0.4
64.71497	0.2
69.03451	2.0
71.01343	1.1
73.02897	1.2
82.28019	0.2
83.04975	0.5
85.02917	0.2
85.15054	0.2
87.04476	0.3
101.02429	0.3
113.06059	0.5
114.39295	0.2
135.08125	1.1
137.09714	3.3
157.12221	0.2
191.14430	0.9
217.15959	1.4
227.14488	0.2
229.16011	0.3
231.17642	0.3
233.19116	0.5
243.17439	0.5
245.19049	2.2
255.17531	0.9
257.15515	0.9
257.18906	0.7
261.18539	0.4
263.20163	1.3
273.18570	1.4
275.20206	1.2
291.19708	0.5
309.20627	0.5
319.19135	1.2
335.18781	1.0
336.14188	0.2
337.20248	47.1
381.19229	100.0
382.19452	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	1.1
59.01141	0.6
59.01387	8.7
61.98826	2.1
68.85209	0.5
69.03465	2.2
71.01374	3.0
73.00684	0.4
73.02933	1.1
75.00857	2.3
83.44885	0.5
85.02942	0.7
87.00870	3.5
87.04507	0.6
89.02454	1.0
92.66898	0.5
103.14542	0.6
108.07478	0.5
112.49091	0.7
113.02496	0.8
113.06133	0.9
114.40810	0.6
116.05043	0.6
130.06633	1.2
131.80295	0.5
132.04549	3.6
137.09709	3.8
158.06122	14.8
158.07327	1.0
191.14380	0.8
201.72792	0.6
202.05074	4.1
217.15982	0.7
220.06433	0.6
243.17648	0.7
245.19116	2.3
249.06213	1.1
257.15488	0.9
259.16647	0.5
273.18600	0.9
275.20334	1.0
305.23978	0.5
309.20856	0.7
312.01648	0.7
319.19235	1.0
337.16055	1.2
337.20230	45.2
381.19232	100.0
382.11465	8.6
382.19437	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22455	62.7
53.72809	58.5
54.83007	62.4
59.01375	94.6
63.50233	63.1
67.59272	84.3
70.40300	64.6
71.55319	66.7
96.80933	62.7
97.71340	67.8
98.13454	71.7
113.45107	100.0
125.00830	86.5
139.38406	73.7
171.01596	92.0
193.37245	69.4
244.76529	75.5
394.27219	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95612	8.1
59.01387	100.0
59.53626	8.9
61.98837	26.2
78.95909	25.0
109.08154	10.6
116.92869	11.1
152.99623	59.8
174.99210	16.3
183.74841	10.0
193.50690	11.0
199.13400	10.5
217.00302	65.4
284.82092	11.3
291.60019	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	381.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82898	0.3
56.69513	0.2
59.01396	1.3
59.83422	0.3
77.22144	0.3
101.06080	0.5
109.06576	0.6
111.08189	0.3
117.28702	0.3
127.29268	0.3
137.06097	0.7
138.06905	0.3
141.37872	0.4
149.06090	1.2
151.06477	0.4
151.07576	2.5
152.35497	0.3
156.91498	0.3
165.09241	0.4
170.05833	6.5
174.99348	0.5
192.11577	1.3
198.98386	0.3
199.13335	0.3
217.00334	1.1
233.19128	2.0
235.20605	1.3
249.18703	0.7
250.40224	0.3
251.20216	3.8
259.17203	0.6
261.18506	0.3
277.18100	100.0
278.18460	3.1
278.39972	0.3
279.19669	22.5
280.20087	0.4
295.19156	94.5
296.19449	2.7
315.39453	0.3
345.24365	0.5
363.25433	13.8
381.26489	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	381.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84077	0.3
58.07395	0.3
71.05040	0.4
72.72060	0.4
82.21015	0.4
92.11671	1.1
97.82587	0.4
101.09830	0.3
125.09594	0.3
126.30934	0.3
127.11218	0.4
135.83916	0.4
151.11261	0.3
153.12849	5.7
155.14473	0.5
163.11305	2.1
165.12848	6.7
170.05847	4.6
179.10774	10.6
181.12338	34.4
182.12711	0.7
192.11536	0.6
195.10278	1.8
197.11832	1.7
199.13408	100.0
200.13690	2.8
215.12910	4.0
291.66116	0.3
363.25461	5.4
381.26483	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	381.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80440	1.0
59.01392	3.8
61.78626	0.9
61.98839	8.1
61.99092	1.0
67.41079	0.9
70.72381	1.1
74.25284	0.9
77.63749	1.0
79.71989	1.0
82.89650	0.9
92.11836	1.3
93.23518	1.1
100.32391	1.1
100.86043	1.1
137.06119	1.3
151.07614	2.0
164.08446	1.3
170.05809	7.0
199.13518	1.2
217.00478	2.0
233.19188	1.2
235.20905	1.1
251.20172	2.6
277.18094	100.0
278.18341	1.6
279.19662	21.5
295.19144	85.0
363.25449	16.0
381.26511	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2801
Annotation	Strongylophorin 22
Peak:m/z	Relative Intensity
50.72766	0.4
52.20679	0.4
52.78427	0.3
54.83165	0.4
59.01370	0.7
72.99329	0.4
133.06549	0.5
147.08173	2.1
149.09743	4.0
163.11295	98.0
164.11540	0.7
180.87955	0.4
189.12776	1.0
194.38560	0.4
205.15993	100.0
206.16327	2.2
219.17558	3.2
343.28345	0.8
363.32346	0.5
381.28027	90.2
382.28397	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	381.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19944	0.4
54.82519	0.5
55.01883	0.7
60.04472	0.4
70.44337	0.3
84.02145	0.6
85.58636	0.4
174.34451	0.4
200.40596	0.4
226.28035	0.4
333.31635	2.0
335.33228	51.3
336.33618	3.2
363.32825	1.1
368.30530	0.5
381.33768	100.0
382.34106	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	382.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68303	0.4
57.03452	0.7
58.23151	0.5
59.01376	2.6
71.01380	53.3
80.20200	0.5
85.02946	0.8
86.29419	0.5
87.00852	0.9
92.11735	0.8
96.96004	3.2
111.00885	2.3
114.93391	2.4
115.00357	100.0
115.03989	6.0
116.07146	0.6
134.04742	0.8
141.00291	0.5
184.67509	0.5
191.01990	0.8
245.10890	0.6
258.77094	0.8
382.05084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83001	0.4
59.01380	3.7
61.98821	0.5
62.18015	0.4
71.01386	8.2
72.99303	0.4
77.53703	0.4
88.04027	2.8
89.02425	0.4
89.42464	0.4
92.02552	0.6
101.02420	0.8
107.03648	2.7
109.58831	0.5
113.02429	0.7
115.00368	10.9
119.03628	0.9
119.05012	0.5
120.90199	0.5
120.99625	0.6
129.92345	1.7
132.04593	0.5
133.03929	0.7
134.04718	100.0
135.06737	0.9
138.01740	0.6
141.33197	0.4
146.08235	1.1
158.06116	1.0
162.07867	8.1
163.02504	0.8
164.83630	0.9
188.05855	0.7
193.05127	1.0
206.06831	18.7
208.38945	0.5
250.05800	2.2
266.08896	4.0
271.01483	0.6
306.99289	0.8
307.99332	0.7
308.99033	1.0
309.08347	0.4
382.10059	21.3
383.10266	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41924	0.4
57.03461	0.4
59.01106	0.6
59.01384	13.3
60.95254	0.4
65.15430	0.4
71.01377	7.6
73.02917	0.9
74.61297	0.3
75.00864	16.1
85.02944	2.2
85.22750	0.4
87.00870	9.6
89.02426	4.0
101.02443	3.4
101.02980	0.4
113.02429	2.6
115.05524	6.2
116.05045	2.5
119.03457	0.6
121.97942	0.4
130.06609	9.3
131.07135	0.5
132.04541	26.2
144.04576	0.9
148.36217	0.5
157.05380	2.0
158.06110	100.0
161.04636	0.6
174.05637	2.7
176.07172	0.8
202.05119	27.9
220.06142	5.1
237.06154	5.2
249.06119	5.7
282.31192	0.5
318.23895	0.5
382.11450	40.8
390.88632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
59.01106	0.6
59.01387	14.3
61.98825	0.5
63.86000	0.3
71.01389	7.3
72.99312	0.5
73.02943	0.8
75.00449	0.7
75.00876	15.4
83.01412	0.3
85.02950	2.3
87.00882	10.0
89.02444	3.8
95.01386	0.7
101.02441	3.7
113.02436	1.8
115.05532	6.9
116.05042	3.6
119.03490	1.4
130.06628	9.6
132.04549	26.6
144.04553	1.6
153.40509	0.4
157.05373	1.7
158.06111	100.0
174.05627	2.7
176.07224	0.5
181.06055	0.4
194.54022	0.4
202.05119	27.8
220.06192	5.8
237.06148	4.1
249.06143	6.1
262.07196	0.5
338.35635	0.4
382.11459	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13678	0.2
57.03434	0.4
58.00582	0.3
59.01384	13.7
61.98825	1.1
62.75468	0.3
66.49027	0.2
71.00996	0.4
71.01378	7.8
72.99281	0.5
73.02918	0.6
75.00866	16.2
75.55086	0.2
81.53603	0.3
83.01359	0.6
85.02953	2.7
87.00869	10.1
89.02428	4.1
95.01365	0.5
99.00861	0.4
101.02421	4.0
113.02451	2.7
115.05516	6.9
116.05041	2.9
117.01923	0.3
119.03451	1.1
128.05032	0.3
130.06613	9.9
131.03726	0.3
131.07149	0.4
132.04538	27.8
144.04523	1.0
146.06133	0.5
157.05283	1.2
158.06104	100.0
174.05598	3.2
176.03502	0.4
176.07156	0.4
177.04338	1.0
192.06680	1.5
193.06947	0.3
202.05106	29.8
220.06198	4.7
237.06140	4.2
249.06160	6.3
262.07123	1.3
363.28534	0.2
382.11423	43.5
403.41147	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.8
61.88354	0.2
61.98826	0.9
66.82827	0.2
71.01385	0.3
80.19392	0.2
83.08949	0.2
89.02438	0.3
91.95834	0.2
107.04943	0.3
116.92828	0.6
133.10275	0.4
147.08119	0.3
158.96275	0.3
162.10495	4.9
163.11278	100.0
164.08434	0.5
164.11600	1.6
179.10713	1.5
194.09476	9.4
198.79004	0.2
206.15508	44.0
207.15826	0.5
210.27159	0.2
218.00731	0.3
228.24573	0.2
312.51871	0.2
323.09955	0.4
337.21558	0.3
356.81445	0.3
382.27533	65.9
383.27859	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	383.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97909	1.2
55.01878	1.2
55.55626	1.0
57.03437	1.3
58.00583	2.3
59.01387	77.2
61.98816	2.0
71.00979	2.5
71.01384	72.8
72.00917	12.2
72.99300	2.0
74.02470	17.6
77.52206	1.2
79.22151	1.5
81.52523	1.3
83.01365	1.7
85.02948	8.9
85.72915	1.3
87.00877	1.5
87.53281	1.4
89.02441	79.6
92.39651	1.2
93.02854	1.5
101.02442	26.0
113.02464	15.4
116.05061	66.0
119.03474	13.3
130.06642	1.9
130.62163	1.3
131.03574	1.9
142.06641	19.3
143.03508	2.9
149.04587	2.9
157.07753	2.9
159.09311	10.2
161.04608	7.9
179.05605	20.8
181.05028	2.9
186.05659	2.0
198.39311	1.5
203.08287	100.0
204.08470	1.4
280.61960	1.4
323.09937	3.3
383.12854	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	383.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
55.69775	1.2
58.00597	1.1
59.01386	73.7
60.01712	1.0
60.56668	0.9
61.98832	2.4
62.98585	1.1
64.98106	1.1
71.01381	63.2
72.00906	11.4
72.99300	4.2
73.02909	1.3
73.39833	1.1
74.02462	22.4
83.01375	2.5
85.02937	8.0
89.02438	75.4
95.01353	1.4
101.02437	25.6
107.67941	1.4
113.02450	17.4
116.05045	54.4
119.03520	12.4
121.02954	1.4
128.63716	1.2
131.03499	2.0
138.80330	1.3
140.07198	1.8
142.06622	15.1
143.03517	2.3
144.77943	1.7
149.04539	2.3
157.07751	1.7
159.09258	10.3
161.04520	9.1
169.12953	1.2
179.05605	18.3
181.05049	2.1
186.05685	1.6
203.08273	100.0
323.09973	5.3
328.76617	1.2
356.25598	1.3
391.97275	1.2
393.88751	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	383.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57275	0.1
53.64718	0.1
54.52844	0.2
56.67406	0.2
59.01387	2.0
61.98832	100.0
85.02975	0.3
89.02460	0.2
94.34785	0.2
113.02451	0.4
242.58255	0.2
289.80896	0.2
323.09763	0.3
363.19217	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56702	1.4
53.62883	1.4
55.78441	1.7
57.80103	2.1
58.02985	1.8
59.01376	15.3
61.37489	1.4
61.98838	17.5
69.95475	1.5
71.01379	3.7
73.63802	1.5
83.06092	2.0
84.04526	7.5
85.02940	1.9
87.00864	3.7
88.04028	4.3
89.02459	2.3
101.02386	1.9
101.07180	9.0
109.04064	10.0
113.02456	3.2
116.92852	2.1
120.18232	1.7
124.49741	1.7
125.03570	2.4
127.05131	45.8
128.03519	12.8
145.06201	48.3
149.46124	1.8
237.22198	2.7
254.24951	23.2
280.26288	2.3
321.29163	42.1
323.09818	10.2
333.99094	2.2
339.30093	2.7
363.90485	2.1
365.27975	2.8
383.29163	100.0
384.29636	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	384.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91084	0.2
53.49314	0.1
53.54108	0.1
59.01384	100.0
60.90526	0.1
61.53967	0.1
81.51299	0.2
85.41549	0.1
98.01923	0.1
200.65295	0.1
288.31662	0.1
302.22290	0.3
322.27588	0.2
324.29147	1.1
328.63388	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	7.1
61.98839	0.9
66.72392	0.6
70.01695	0.7
71.01382	3.9
74.99082	4.8
75.19825	0.7
85.02962	1.2
86.99094	11.1
89.02451	1.3
92.02528	13.3
92.11829	1.0
92.72345	0.7
101.02433	1.1
103.92022	1.4
116.22078	1.0
135.03122	100.0
177.02271	0.8
189.02345	1.8
234.22826	0.8
237.03598	1.0
249.04352	3.2
328.99402	0.9
385.08228	27.6
392.32034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	7.1
61.98839	0.9
66.72392	0.6
70.01695	0.7
71.01382	3.9
74.99082	4.8
75.19825	0.7
85.02962	1.2
86.99094	11.1
89.02451	1.3
92.02528	13.3
92.11829	1.0
92.72345	0.7
101.02433	1.1
103.92022	1.4
116.22078	1.0
135.03122	100.0
177.02271	0.8
189.02345	1.8
234.22826	0.8
237.03598	1.0
249.04352	3.2
328.99402	0.9
385.08228	27.6
392.32034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15003	0.7
50.56682	0.7
50.84998	0.7
53.22636	0.8
55.01869	1.4
56.97873	0.7
57.03458	6.5
57.99748	0.9
59.01111	1.8
59.01384	31.7
68.99813	1.7
69.03449	2.0
71.01386	39.9
72.99303	8.6
73.02928	1.2
75.00873	25.8
75.41632	0.7
78.13718	0.8
83.01388	1.6
85.02467	1.9
85.02958	41.3
87.00877	14.1
89.02435	9.0
89.85737	0.9
91.04014	1.4
91.05533	48.8
95.01389	6.3
99.00874	18.5
101.75418	1.0
103.00350	4.4
111.00880	1.4
111.27541	0.9
113.02439	42.2
115.00360	4.1
117.01986	6.4
117.03448	6.4
119.83733	0.9
121.02907	1.4
129.01926	4.3
131.03568	0.8
134.03387	1.0
135.04523	12.0
141.75221	1.0
141.93768	0.8
156.17764	0.9
175.02458	3.2
189.04077	1.0
207.05135	1.5
231.04950	1.1
249.06152	39.3
250.06697	1.1
267.07220	100.0
268.07483	2.0
333.84229	1.0
385.11377	46.0
386.11557	1.3
408.13364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59137	0.8
55.01891	1.1
57.03440	5.8
59.01104	1.5
59.01383	27.6
67.34637	0.7
68.54970	0.8
71.01379	28.9
72.99296	4.8
74.28345	0.8
75.00867	12.7
85.02944	35.0
87.00862	11.9
89.02442	11.6
91.05524	15.7
95.01367	6.1
99.00869	12.4
103.00440	0.9
111.00859	1.1
112.01659	0.9
113.02438	42.2
115.00456	0.9
117.01923	4.3
117.03399	6.8
129.01924	1.0
131.03421	1.2
135.04501	4.7
149.02440	9.7
164.04764	7.1
169.05167	0.8
175.02521	1.8
179.07104	3.3
193.01411	5.2
207.05138	2.0
208.03738	6.0
223.06192	11.5
249.06250	8.7
267.07224	100.0
268.07645	1.4
295.47562	1.0
320.95987	1.1
385.11404	26.5
385.15866	1.3
409.46133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14797	0.4
50.54880	0.5
53.75789	0.4
59.01385	5.5
61.98822	0.5
71.01382	4.5
72.99310	0.8
73.38265	0.5
75.00870	0.7
75.50848	0.5
79.95727	3.4
80.96501	2.3
85.02925	2.5
87.00882	6.3
88.00403	2.4
88.04015	3.0
88.98771	0.7
89.02444	8.1
93.03451	0.9
93.41443	0.6
95.95226	7.9
96.96004	99.0
101.02443	1.3
113.02458	0.6
114.10239	0.6
117.31342	0.6
122.97536	1.0
123.95516	0.8
137.02446	1.1
138.97090	1.3
149.02464	1.3
150.97049	2.8
154.40833	0.5
158.06061	1.0
159.06389	0.7
164.04819	1.0
164.98639	0.8
168.99677	1.3
177.04039	3.6
177.66977	0.7
180.98145	1.0
188.41360	0.6
194.99651	0.7
207.20320	0.6
213.00790	0.7
223.06128	1.2
241.00200	3.6
256.99759	1.3
260.16656	0.6
362.82758	0.7
385.11777	100.0
386.12057	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	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38441	0.2
58.63956	0.2
59.01385	100.0
61.98844	0.2
66.42143	0.2
71.01394	0.9
72.79572	0.2
73.02950	0.4
86.33254	0.2
89.02480	0.2
91.01884	0.3
94.51696	0.2
99.04543	0.3
101.02446	0.3
109.02955	0.2
115.13145	0.2
123.04543	0.3
130.74739	0.2
137.09691	0.2
145.02988	0.4
146.03775	0.4
158.03761	1.2
159.04498	1.5
173.06187	0.2
174.27013	0.2
204.47226	0.2
266.05908	0.7
267.06821	0.8
281.08261	0.4
282.09018	0.4
297.11246	0.4
385.22928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2233
Annotation	Oleandolide
Peak:m/z	Relative Intensity
54.82389	0.4
59.01382	4.9
71.01366	0.4
71.05027	0.5
89.02446	1.1
91.03996	1.1
97.06578	0.9
104.70903	0.4
121.02960	1.8
122.03739	1.0
123.99977	0.5
142.61845	0.4
164.08423	0.5
167.14351	3.2
193.15997	0.5
207.17543	1.7
223.20680	2.7
231.17430	0.7
233.15623	1.4
243.04659	0.5
249.18584	6.6
267.19662	100.0
268.19955	0.6
275.16525	14.0
293.17606	57.4
294.18182	0.5
300.17639	0.6
311.18668	8.3
367.21259	5.8
382.86801	0.5
385.22305	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2235
Annotation	Oleandolide
Peak:m/z	Relative Intensity
54.82965	1.1
57.54900	1.1
59.01386	8.6
63.76603	1.0
64.34840	1.2
75.00849	1.7
80.57365	1.0
97.06540	1.1
119.56152	1.2
121.58701	1.5
142.71085	1.3
161.42747	1.3
167.14368	5.0
223.20628	1.7
249.18755	9.1
267.19666	100.0
275.16446	10.9
293.17609	55.7
311.18716	10.1
367.21231	5.6
375.21262	1.3
385.22339	59.7
385.27274	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	385.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71218	0.4
57.03457	7.4
58.00591	0.9
59.01384	10.1
61.98816	0.7
62.46379	0.4
71.01364	1.3
71.05009	0.8
71.86631	0.4
73.02984	0.5
85.02946	3.5
87.04505	20.6
89.02438	4.4
91.03996	13.9
91.04519	0.8
92.65130	0.6
102.62837	0.6
114.02850	0.6
133.74413	0.6
223.17036	53.7
235.16992	6.1
253.18065	1.2
275.20090	6.2
293.21182	11.9
311.22296	100.0
312.22491	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91436	1.4
57.03452	8.6
57.29079	1.3
58.13404	1.5
59.01392	15.9
61.98836	2.3
71.01382	1.7
75.04362	1.8
85.02956	1.8
87.04509	17.4
88.79130	1.6
89.02443	3.6
91.03994	13.5
114.29927	1.5
206.16803	1.7
223.17059	58.9
235.17062	3.0
275.20102	3.6
293.21320	9.3
294.10135	1.7
301.49759	1.7
311.22324	100.0
375.81915	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	385.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.5
60.01720	0.2
61.01812	0.6
61.98836	100.0
72.30933	0.1
73.38345	0.1
113.59527	0.1
158.56256	0.1
176.54373	0.1
233.06604	0.1
377.55945	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	6.1
57.13325	1.4
59.01381	23.6
61.98798	2.0
68.99810	2.2
71.01387	21.4
72.99316	8.1
73.02921	3.8
75.00861	17.6
75.03374	1.8
78.95899	8.7
85.02950	18.6
85.30729	1.8
87.00887	7.0
89.02431	3.6
92.05059	100.0
95.01407	3.9
96.95999	29.3
99.00865	9.2
99.04491	2.2
113.02445	12.4
136.04034	83.7
175.02489	1.7
231.05006	2.5
249.06174	55.5
353.90198	1.8
362.96478	1.8
385.11761	12.1
386.11163	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	386.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82702	0.3
54.16463	0.3
57.03444	0.4
59.01385	100.0
61.18409	0.3
61.98841	0.5
63.02721	0.4
81.03447	6.2
85.20700	0.4
123.04511	9.8
218.10577	0.4
221.90781	0.5
267.26917	3.0
311.06616	0.4
313.27487	7.7
313.30554	0.5
326.30673	0.8
387.29138	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	387.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82814	0.6
57.03442	1.6
57.96608	0.5
59.01385	31.1
61.98847	0.9
67.01897	0.7
71.01382	15.2
72.99297	3.2
73.02921	0.9
75.00867	7.7
83.01385	1.1
85.02946	11.2
85.95251	0.6
87.00858	2.6
89.02429	6.6
92.11739	1.1
93.03443	59.3
95.01366	2.7
95.28378	0.6
96.95981	3.6
99.00864	5.4
101.02400	3.7
101.06062	40.2
103.00384	0.8
104.77486	0.6
108.87992	0.7
113.02443	12.0
115.92094	0.6
117.01947	1.5
119.03441	0.9
137.02428	100.0
138.02797	0.8
149.02380	0.9
157.26245	0.7
163.11287	9.6
165.09160	0.7
177.01950	0.9
207.10292	0.9
209.04541	0.9
213.05724	0.7
249.03711	1.0
249.06151	18.2
351.13000	33.4
387.08997	3.8
387.17004	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	387.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03449	5.1
59.01394	27.9
61.98817	0.7
67.01874	0.8
67.66678	0.7
68.99819	2.8
69.03440	1.4
71.01386	24.2
72.99315	7.8
73.02934	3.1
75.00880	16.9
75.28975	0.6
78.70390	0.7
79.72191	0.8
81.03445	0.9
83.01405	1.5
85.02465	1.4
85.02956	28.6
86.48935	0.8
87.00871	10.4
89.02437	10.4
91.03995	1.3
93.03454	65.7
95.01379	6.7
99.00878	14.4
103.00362	3.1
112.01630	0.7
113.02447	26.0
115.00361	3.2
117.01913	4.1
129.01924	1.5
131.03543	0.8
135.23602	0.8
136.01624	1.0
137.02438	100.0
175.02452	1.5
198.91484	0.7
211.06168	12.8
211.91208	0.7
231.05080	3.7
249.06171	42.3
267.07233	49.5
318.34668	0.8
369.08301	1.6
387.09348	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1088
Annotation	(8S,8'S)-(+)-8-Hydroxy-oxomatairesinol
Peak:m/z	Relative Intensity
50.18700	1.0
57.03450	1.3
59.01367	7.1
59.65638	0.9
60.09357	1.0
60.97141	0.9
66.72222	1.0
68.99805	5.5
73.02937	2.0
78.25938	0.9
83.05009	1.0
88.61623	1.1
93.03449	1.1
102.96413	1.0
108.02174	18.5
109.02970	1.9
123.00864	1.6
123.04533	15.7
132.02138	2.1
133.02899	1.9
134.03737	48.3
136.01666	1.2
137.02455	10.1
139.04024	1.9
139.95613	1.1
147.04504	1.4
149.06070	17.4
150.03259	11.8
162.03194	4.7
163.04012	1.3
167.10768	1.3
171.19748	1.0
174.03204	1.4
177.04080	1.3
177.05574	5.2
178.02704	62.6
189.05435	1.2
193.05061	100.0
202.02617	1.3
202.05121	1.1
217.05095	1.4
233.04477	1.5
263.05585	4.4
313.10883	2.2
387.10886	13.3
387.24094	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	387.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08705	1.8
55.01894	3.3
57.03444	4.7
58.00600	1.9
59.01382	100.0
61.98808	3.9
67.07880	1.5
68.67171	1.6
71.01378	66.7
72.99290	7.8
73.02937	11.1
83.01394	3.7
85.02955	28.8
87.00865	4.4
89.02436	39.4
89.64364	1.8
93.03439	4.3
95.01388	3.0
99.00880	2.2
101.02441	44.6
106.04963	1.7
111.00881	9.0
113.02432	25.7
116.92824	3.0
117.05580	10.2
119.03447	14.5
137.02437	7.2
138.89557	2.0
143.03519	3.2
161.04539	19.9
165.05830	10.1
179.05594	3.5
191.01959	2.4
276.80862	2.4
279.10910	9.4
327.11206	90.1
350.34607	2.2
387.09259	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1664
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
51.16152	0.4
54.37093	0.4
56.71289	0.3
59.01384	100.0
61.98831	1.0
65.45625	0.4
71.01379	9.5
72.99282	0.8
73.02943	0.5
81.96336	0.4
85.02946	2.6
87.00848	0.4
89.02435	9.2
89.21093	0.4
95.01362	0.6
96.96003	2.7
99.16943	0.4
101.02425	5.2
108.02180	4.6
113.02451	2.9
116.92876	0.8
119.03486	3.4
121.03006	0.6
123.04532	2.1
148.73071	0.4
153.01805	0.6
163.11273	7.9
175.80255	0.4
191.97990	0.4
207.10304	0.7
218.75185	0.4
225.11476	0.5
324.41748	0.5
387.16629	49.1
388.17191	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.231
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64312	18.8
59.01382	100.0
60.37683	18.2
62.43766	17.4
65.59106	16.6
81.66343	20.5
87.97668	21.5
126.05113	22.4
190.24321	20.7
225.29486	22.1
291.29785	20.4
395.36786	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	387.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52586	12.8
53.76834	13.6
59.01375	100.0
61.98833	34.9
67.45282	13.9
70.22964	14.5
175.31255	18.9
230.60204	19.0
253.94864	18.3
346.11063	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	387.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
59.01369	5.0
59.17080	0.7
69.03432	1.6
71.01373	1.9
73.02932	5.9
75.80491	0.8
83.05031	2.0
85.02960	2.1
92.12441	2.1
97.06564	2.0
113.36469	1.0
122.41727	1.0
123.08135	0.9
139.11266	4.6
155.10785	1.3
157.12343	1.5
185.11803	14.2
213.11426	1.1
214.12106	1.5
215.12926	1.9
232.89925	1.1
243.15997	17.9
255.15993	1.1
265.18088	1.7
283.19119	6.7
327.21747	5.8
369.22882	1.3
387.23892	100.0
388.24274	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	387.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03373	0.8
50.16354	0.9
54.89819	0.8
56.55093	0.9
57.03446	5.0
59.01151	0.9
59.01386	14.9
69.03452	1.8
69.63454	1.0
71.01374	1.9
71.05009	1.1
73.02942	8.2
73.74539	0.9
83.04998	1.7
85.02945	1.9
87.04492	2.2
97.06573	6.2
101.06051	1.7
105.42165	1.0
109.06668	1.4
111.08215	1.1
113.06100	1.6
120.78058	1.0
120.99732	1.1
121.84914	1.2
123.08132	2.3
125.09704	6.0
127.07667	1.1
137.09645	1.5
139.07608	1.2
141.09215	1.3
151.11226	1.2
154.80562	1.0
155.89221	1.3
171.10252	12.9
187.13489	1.0
190.02771	1.3
220.03641	1.1
234.08072	1.2
235.05995	7.6
281.17615	4.3
283.19083	1.2
291.19675	1.6
309.20752	1.8
327.21695	4.7
369.22772	1.6
387.14594	5.4
387.23920	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	387.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72021	0.3
53.94916	0.3
57.58042	0.4
58.00591	3.1
59.01390	5.3
61.98820	0.4
70.06357	0.4
71.01357	1.0
81.19934	0.4
89.02431	1.8
91.03991	9.3
97.06551	0.6
99.08140	18.4
115.40530	0.4
121.42657	0.4
127.07665	3.6
129.09209	22.0
183.13895	42.5
184.14238	0.6
195.13922	5.9
197.99809	0.4
205.29913	0.4
277.21713	4.8
295.22787	13.1
311.22464	0.5
313.23877	100.0
314.24127	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	387.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	0.2
58.00599	4.7
59.01384	4.9
70.72632	0.2
71.01365	0.8
89.02446	2.4
91.04003	8.3
92.01929	0.2
97.06578	0.4
99.08154	22.9
101.09685	0.4
111.08154	0.8
113.09692	0.4
127.07639	4.1
129.09209	25.8
183.13898	51.5
184.14275	0.3
195.13931	5.3
213.14954	0.4
220.24808	0.2
277.21732	4.9
279.88107	0.2
295.22787	12.8
311.22290	0.4
313.23874	100.0
314.24207	1.6
357.21671	0.2
357.26151	0.2
359.80527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64687	0.5
54.20270	0.4
54.82463	0.4
55.19930	0.5
59.01385	100.0
59.61715	0.4
61.98829	0.8
66.55499	0.4
67.11159	0.4
69.20300	0.4
72.66151	0.4
86.05306	0.4
115.49840	0.5
164.46599	0.5
187.17880	0.5
247.50768	0.5
309.93488	0.5
372.95508	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.4
59.01379	7.6
61.98838	1.2
70.08031	0.6
71.01385	1.0
75.00882	0.7
88.21014	0.6
89.02447	1.7
91.03995	5.0
92.11708	1.2
102.72092	0.6
125.09718	6.7
127.11309	9.7
137.09729	1.0
144.77484	0.6
155.10780	4.9
165.09169	3.0
171.10280	10.8
183.10233	0.8
199.09766	3.0
201.11346	65.5
277.21634	5.8
293.62024	0.7
295.22879	5.8
313.23886	100.0
314.24200	1.3
411.20767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78418	0.3
55.23736	0.3
59.01383	100.0
61.23187	0.3
61.98836	0.6
67.83053	0.3
70.02973	0.3
113.94659	0.3
141.01659	0.4
228.85555	0.4
276.22244	0.4
328.28790	0.6
369.86746	0.3
378.74020	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00035	0.3
59.01387	100.0
61.60067	0.3
61.98839	0.6
70.30499	0.3
77.29971	0.3
88.04026	0.5
90.87415	0.3
92.11774	0.4
99.82353	0.3
116.92822	0.4
141.01659	0.5
234.19707	0.3
305.86292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99619	0.5
54.82475	0.6
59.01384	100.0
61.39860	0.5
76.88739	0.5
84.89233	0.5
89.02429	2.2
107.31706	0.5
122.43021	0.5
147.21051	0.6
178.22354	0.5
293.21317	1.0
322.11108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41195	0.9
53.92347	0.9
57.03442	1.5
59.01146	1.2
59.01389	18.4
61.98825	2.6
64.69167	0.8
65.11453	0.9
71.01374	2.1
71.24742	1.0
73.02946	2.0
76.73337	1.0
85.02943	8.3
93.03461	4.8
95.05004	1.1
99.92563	1.3
116.92877	2.4
121.02947	24.2
122.03743	9.7
133.02917	2.5
134.03726	55.2
135.04529	2.4
137.02443	7.4
139.03983	2.2
149.02448	36.7
149.06097	12.6
149.09666	1.7
150.03227	100.0
164.04785	4.8
165.05565	65.6
169.93478	1.0
178.02699	23.4
180.04257	2.2
193.05064	47.1
195.06633	28.2
209.04539	1.6
221.06075	1.4
239.07220	2.3
250.06384	1.6
265.45163	1.0
267.06726	4.0
271.79422	1.2
282.09064	8.4
290.58304	1.0
297.07834	0.9
330.02289	1.2
341.10336	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1454
Annotation	Reptoside
Peak:m/z	Relative Intensity
55.01876	9.8
57.03442	7.8
58.35458	1.5
59.01385	70.8
60.82172	1.5
61.98819	3.2
64.34525	1.7
67.46033	1.6
70.78889	1.4
71.01382	54.5
72.99306	2.9
73.02949	14.8
77.78341	1.6
83.01382	11.7
85.02950	38.9
87.00863	7.5
89.02452	15.9
92.11704	2.9
95.01352	3.6
99.00902	3.5
101.02435	43.9
101.06078	15.8
109.02933	8.9
113.02439	19.6
117.07348	1.7
119.03467	6.7
131.03568	2.3
137.02444	97.2
137.80219	1.7
138.03233	3.0
138.98677	4.4
152.01219	2.0
152.04799	27.9
153.05525	2.2
159.02943	1.8
161.04561	7.0
167.05873	1.9
167.07230	3.2
179.03552	11.7
184.03746	12.0
193.69322	1.5
194.05844	7.2
197.04573	3.9
209.08208	10.6
212.06909	48.6
227.09245	100.0
228.09811	2.2
351.09122	1.6
351.12769	13.2
389.14594	90.1
390.14981	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	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92295	0.7
57.03436	1.6
58.00590	1.4
59.01386	82.1
60.99298	1.3
61.98824	5.0
66.83920	0.7
71.01379	29.3
72.99292	3.9
79.05533	0.9
82.51566	0.7
83.01373	1.6
85.02969	10.1
87.00863	1.9
89.01311	0.8
89.02443	27.9
92.97779	0.7
93.03471	0.8
95.01370	1.6
101.02436	16.4
101.06089	1.9
113.02435	10.9
119.03493	10.2
121.02932	9.2
123.04472	1.3
127.82302	0.8
143.03584	1.1
147.11795	4.2
148.03989	1.4
149.04456	0.8
176.03560	0.9
188.43040	0.9
191.10739	1.6
209.04579	4.3
209.11832	23.0
253.04977	0.8
276.45413	0.9
351.12857	1.2
354.10831	1.4
389.14218	3.5
389.18207	100.0
390.18344	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	389.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13278	0.4
54.29422	0.4
55.01878	0.8
57.03448	1.3
58.00600	1.9
58.66643	0.5
59.01386	74.2
60.99312	0.9
61.98819	2.7
71.01381	30.6
72.99298	3.6
73.02936	0.9
75.00821	1.8
79.05518	0.8
83.01382	3.0
85.02942	9.4
87.00844	1.0
89.01877	1.0
89.02436	27.5
95.01363	3.1
99.00871	0.9
101.02431	15.3
101.06071	11.9
113.02448	9.4
113.41306	0.6
119.03498	9.1
121.02948	8.8
132.04536	0.7
147.11824	4.0
161.04507	0.7
176.03523	4.4
179.05621	1.2
191.10747	1.1
207.05432	0.9
208.06192	1.2
209.04575	4.8
209.11841	19.4
226.35931	0.6
351.12921	8.5
353.13428	0.5
389.14090	4.3
389.18210	100.0
390.18423	0.8
402.26849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2316
Annotation	7beta-Hydroxy-corymbi-8(17),13E-dienolide
Peak:m/z	Relative Intensity
53.64861	0.6
59.01383	23.5
61.98816	0.7
85.26080	0.7
96.68192	0.6
208.83606	0.6
297.23065	0.7
307.22815	100.0
308.23117	1.4
389.23096	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	389.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68802	14.7
59.01385	67.3
61.98834	100.0
84.00925	14.1
89.02433	30.0
93.92795	12.5
108.10499	12.4
120.92179	13.7
312.90063	14.4
315.40372	16.1
358.06644	17.4
369.70474	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	389.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44782	7.2
53.75006	6.3
54.45982	7.5
59.01386	100.0
61.73474	8.7
61.94169	7.3
61.98838	34.5
70.70263	7.3
89.02354	7.2
108.93690	8.2
140.49655	10.7
141.62105	7.7
175.06462	8.0
225.22093	9.1
253.39485	9.6
271.22815	14.5
287.19330	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	389.2548
Annotation	bhos#24
Peak:m/z	Relative Intensity
56.79881	0.6
57.03446	5.5
57.30104	0.7
59.01379	17.4
71.01394	1.6
71.05019	1.5
73.02942	100.0
77.90359	0.9
83.05013	1.0
85.02952	3.6
87.04501	4.1
92.11703	1.6
97.06576	4.0
104.07343	1.0
105.44159	0.9
111.08184	2.0
113.06067	1.1
113.09766	0.8
123.08172	1.5
125.05950	1.0
127.07674	0.9
129.09172	1.1
137.09700	4.8
141.09265	1.7
151.11212	0.9
162.26549	1.0
169.88142	0.9
171.10248	1.2
197.11876	0.8
217.14516	1.2
237.18671	1.4
245.17409	1.2
269.17682	1.2
301.50757	0.9
311.21976	1.0
315.22162	1.4
333.22879	1.5
338.35522	0.9
371.24344	1.5
389.25491	77.1
402.52982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2546
Annotation	bhos#24
Peak:m/z	Relative Intensity
50.08441	0.3
50.90892	0.3
57.03453	3.4
58.00601	0.3
59.01378	5.1
62.27605	0.3
65.00964	0.3
67.37033	0.3
68.35546	0.4
68.40248	0.4
69.03447	2.1
71.01366	2.3
71.05038	3.0
71.05344	0.4
72.02114	0.4
73.02941	6.5
78.39081	0.3
83.05009	2.4
83.67299	0.4
85.02931	3.3
85.06587	0.7
87.04510	2.8
95.04999	0.7
95.16771	0.4
97.06570	1.7
98.24522	0.4
99.08173	0.5
101.06090	0.5
109.06598	0.6
111.08155	2.3
113.06046	0.6
123.08164	0.7
125.09707	2.9
127.07629	0.6
127.11252	0.7
129.09181	0.8
137.09703	2.8
139.07697	0.6
145.08684	0.4
151.11296	0.8
153.09178	0.8
165.36447	0.5
169.12320	6.8
171.10254	17.5
185.11893	2.2
197.11876	3.3
197.15469	0.4
199.34578	0.5
217.14452	2.1
243.16116	0.5
245.17583	0.8
247.83746	0.4
255.19809	0.4
256.66971	0.5
283.19107	2.5
285.20782	2.2
301.20175	2.7
309.20825	0.6
311.22372	1.5
323.22415	0.9
327.21783	2.3
329.23291	5.2
341.23447	0.6
345.22733	0.7
353.23325	0.6
371.24390	3.0
389.25467	100.0
390.25760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69279	0.3
59.01384	100.0
64.34713	0.4
66.68205	0.3
76.57791	0.5
141.91385	0.4
225.43048	0.4
275.83939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85730	0.3
59.01384	100.0
61.03506	0.3
64.59611	0.3
74.56658	0.3
88.41965	0.4
96.90042	0.4
108.28416	0.3
139.38588	0.4
151.76921	0.4
154.84232	0.4
161.79196	0.4
162.98134	0.4
199.95488	0.4
411.42892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3063
Annotation	Goniothalamusin
Peak:m/z	Relative Intensity
59.01144	0.5
59.01382	7.5
60.01722	0.7
61.98793	0.5
72.84861	0.4
76.18299	0.4
77.66985	0.4
81.03436	5.3
85.06561	0.7
90.12868	0.5
122.03747	1.9
135.04535	2.3
149.06070	0.6
168.85521	0.5
261.22302	2.3
275.20370	2.0
291.19598	1.1
303.23315	12.9
319.22797	10.4
329.28549	2.0
371.29602	24.8
387.29172	3.2
389.30649	100.0
390.30988	1.0
397.86588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06453	0.3
52.56699	0.3
56.78187	0.3
57.09270	0.3
59.01389	0.6
61.10140	0.4
61.98831	100.0
81.15385	0.4
104.75362	0.4
135.80197	0.4
148.95314	0.4
152.62292	0.5
155.90994	0.5
177.06894	0.4
180.78323	0.4
185.44629	0.4
240.34398	0.4
258.28360	0.4
283.26874	0.5
308.30487	1.0
353.30545	0.9
354.30865	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	391.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78511	1.2
55.28276	1.4
59.01369	9.3
61.98833	37.4
75.00870	1.6
96.96030	6.1
102.23501	1.8
105.07098	22.8
128.03511	3.8
135.03088	2.1
149.06059	21.0
164.89676	1.8
183.99088	2.3
193.05067	100.0
355.10233	8.8
391.07739	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	391.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91309	0.8
57.46677	0.8
59.01109	1.2
59.01391	22.4
61.98832	1.7
71.65297	0.9
78.95903	4.0
92.11667	1.9
99.08154	1.1
113.09743	2.0
152.07350	1.0
179.14417	1.3
183.13948	1.4
195.13896	15.9
215.87819	1.0
228.72054	1.0
245.73459	1.2
255.23387	7.4
274.89151	1.0
277.21729	18.8
295.22781	100.0
296.23065	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	391.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.6
60.50467	0.3
72.98657	0.3
78.95898	3.9
81.21049	0.4
96.96969	0.5
99.97404	0.3
100.53083	0.3
141.16850	0.3
142.67485	0.3
152.98328	0.5
152.99582	15.0
186.03064	0.3
186.58209	0.3
202.29358	0.3
220.55170	0.3
236.31088	0.3
255.23306	100.0
256.23700	2.1
309.27585	0.3
331.58395	0.4
376.54605	0.4
391.22568	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	391.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77771	1.2
54.82658	1.3
59.01386	100.0
60.01705	3.0
78.95901	1.8
79.56909	1.5
83.27557	1.4
84.00907	6.9
85.07948	1.4
91.51386	1.6
134.98428	1.7
152.99573	2.8
213.27911	1.7
255.23303	17.8
292.99356	1.7
351.01541	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98838	1.6
76.60848	1.1
116.92807	1.5
166.02881	1.2
178.39294	1.3
205.61470	1.4
255.23251	2.3
331.26935	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	392.1719
Annotation	Acetylgynuramine
Peak:m/z	Relative Intensity
51.74787	1.8
57.03427	3.1
58.05018	2.2
59.01384	24.3
61.98839	3.6
71.01396	3.2
84.04579	2.5
85.03005	2.8
91.37752	2.1
94.93201	2.1
102.05604	91.3
119.18568	2.3
121.02870	4.9
125.06071	9.5
128.03520	26.1
136.05287	3.3
146.04625	5.1
149.06039	2.9
151.07628	5.1
162.09119	2.8
175.07619	4.1
189.36449	2.7
201.12856	9.6
201.14853	5.2
203.10832	5.1
204.11563	12.1
219.13872	15.9
245.11774	4.6
263.12866	4.4
337.74036	2.6
348.18225	2.8
374.16245	9.4
391.26694	5.0
392.17120	100.0
392.27173	2.9
393.21405	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	392.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51557	0.2
59.01376	5.1
59.83371	0.2
59.98518	0.3
75.00851	0.4
84.81204	0.3
86.95525	0.3
87.00868	100.0
88.00398	1.7
88.01203	0.5
88.04032	0.5
113.48112	0.3
135.09032	0.2
142.98468	0.2
148.95361	0.3
168.13924	0.6
203.69127	0.3
217.00354	0.6
239.13144	0.3
341.88089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54731	0.1
58.02982	0.8
59.01114	0.2
59.01390	4.8
60.01696	0.8
60.45860	0.1
61.01809	0.6
61.94033	0.1
61.98835	2.6
63.44854	0.1
100.40325	0.2
116.92860	0.3
128.10793	3.2
130.08725	100.0
131.09084	1.1
140.10825	0.3
145.48222	0.2
208.51875	0.1
263.23788	0.2
327.85718	0.2
337.21722	1.2
338.22000	1.8
348.32700	2.5
356.23138	0.2
370.29367	0.2
389.86108	0.2
392.31723	57.9
393.32013	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	393.1325
Annotation	MACLUROXANTHONE
Peak:m/z	Relative Intensity
51.62626	1.6
59.01379	23.0
61.98822	8.6
65.38096	1.7
71.01358	2.4
72.99307	3.4
74.99081	5.1
78.02233	2.1
84.54481	2.2
89.32438	1.9
92.12373	4.4
104.26757	2.2
108.66534	1.9
117.97288	3.4
135.98318	3.5
136.99031	3.0
181.05040	2.1
260.96039	2.2
273.17093	2.4
287.13028	2.9
393.13162	100.0
394.13217	4.1
398.44528	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	393.1327
Annotation	Grandiuvarin C
Peak:m/z	Relative Intensity
59.01120	3.9
59.01390	100.0
61.98820	17.0
70.04796	4.1
71.01370	9.3
72.39848	3.4
73.02943	3.6
82.95441	3.4
85.02927	4.5
85.05869	3.1
99.49352	3.8
101.02451	7.5
101.06055	3.7
113.09685	3.5
116.92883	4.3
121.02927	4.0
125.09720	3.7
131.86577	3.7
145.51837	4.1
146.20224	4.1
159.15096	3.8
173.73320	4.1
217.00099	3.9
220.23932	3.9
239.11646	3.6
306.29556	3.8
333.15759	14.8
393.13275	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2135
Annotation	JBIR-56
Peak:m/z	Relative Intensity
53.73179	0.8
55.01883	3.6
57.03436	5.5
58.94101	0.8
59.01105	1.3
59.01383	28.2
62.30720	1.1
63.35532	0.8
71.00992	1.1
71.01384	25.7
71.05029	1.3
72.99298	1.8
73.02915	6.7
75.00867	1.1
83.01369	6.3
85.02953	15.1
89.02427	4.6
92.12415	1.9
95.01357	1.4
99.00845	1.7
101.02435	14.8
102.05614	1.9
111.00915	1.2
113.02421	6.8
116.07536	0.9
125.02316	1.2
128.03542	1.5
129.13086	0.9
154.84090	0.9
171.10320	7.0
183.13896	2.0
201.14978	44.7
213.14986	1.7
215.16600	1.1
219.17194	1.1
230.27391	1.0
240.50449	1.0
242.40390	1.1
243.16115	1.1
319.22833	1.1
333.15759	1.2
345.19260	3.8
363.20276	38.8
372.67737	1.1
375.15829	1.7
375.20306	11.1
393.16949	4.6
393.21353	100.0
393.29059	3.7
394.21622	1.4
410.97754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.213
Annotation	JBIR-56
Peak:m/z	Relative Intensity
54.28988	0.7
55.01876	3.9
56.94117	0.7
57.03446	5.1
59.01104	1.2
59.01384	31.0
64.90274	0.6
71.01376	27.3
71.05016	1.4
71.95394	0.8
73.02940	11.4
76.29601	0.8
80.03344	0.8
80.37799	0.9
83.01383	6.4
84.08215	0.7
85.02927	10.9
85.04823	0.8
87.00856	1.8
89.02447	6.7
99.00873	1.4
101.02426	16.1
102.05589	3.9
102.24156	0.8
111.00850	1.4
113.02438	7.8
114.55466	0.7
119.03565	1.2
155.14372	1.5
171.10306	4.0
183.13901	3.3
201.14961	38.8
213.14958	1.1
333.15512	3.3
345.19266	4.3
363.20224	33.0
363.24448	1.6
375.14648	3.4
375.20276	14.0
393.21368	100.0
393.29114	3.0
394.21796	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96381	1.4
57.03454	12.2
59.01386	28.3
61.98830	9.0
79.81207	1.7
84.39829	1.6
85.02950	3.8
87.04510	48.2
102.00175	1.6
107.42276	1.7
127.02528	2.5
139.81337	1.7
144.77319	1.7
145.08420	1.8
217.00356	2.9
221.15547	2.2
223.17046	61.2
235.17081	2.9
238.67332	2.5
243.13721	10.3
245.15172	12.2
273.14536	1.9
275.12665	9.9
275.20218	4.0
277.14233	17.6
293.21140	8.5
297.18112	2.0
311.22296	62.2
315.19476	7.1
331.18695	10.0
333.20480	100.0
365.18173	4.0
377.19217	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	393.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01694	0.5
57.03457	6.2
59.01384	7.2
77.57511	0.6
80.32702	0.7
85.01928	0.7
95.05045	1.1
97.06578	15.6
123.08156	8.2
125.09709	100.0
126.10061	1.5
130.38260	0.7
139.11287	0.8
143.10754	1.2
169.08733	0.9
174.99245	1.5
187.09767	81.2
193.08449	0.9
205.12402	0.9
217.00296	5.3
311.22354	0.7
393.22955	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	393.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
65.29438	65.2
65.80399	76.4
77.97822	86.9
91.73713	70.0
102.97202	78.2
158.44931	84.0
219.98102	77.8
221.22426	100.0
242.47845	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	35.1
58.94652	0.4
59.01372	2.0
70.02975	31.1
71.02495	5.0
72.00914	0.6
72.01793	0.4
73.65414	0.4
77.04146	0.4
83.49218	0.4
87.05638	3.6
87.82004	0.4
95.02481	2.2
96.00906	32.6
96.99332	0.7
99.92557	2.0
111.01984	0.6
113.03570	19.0
114.01959	43.6
115.92081	0.6
116.92857	3.8
131.04610	21.1
138.40779	0.6
186.76552	0.5
261.22467	0.6
278.24905	9.8
297.24326	0.6
304.26477	5.7
324.68445	0.6
331.27625	2.1
332.25858	0.6
333.25565	0.8
349.28561	3.2
375.26556	57.8
393.13651	2.6
393.27615	100.0
394.28250	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82438	18.4
57.63664	16.5
59.01387	44.1
60.82056	18.2
61.98821	49.6
62.87751	19.1
66.56712	20.8
70.11603	19.7
78.25343	20.9
78.63282	19.1
82.74906	19.8
84.00895	100.0
90.18742	18.9
102.81966	19.7
264.07535	21.6
266.03088	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	394.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44964	1.5
57.93618	1.6
58.02982	16.3
58.03219	2.3
59.01364	9.2
59.35008	1.7
61.98819	6.8
62.26259	1.6
64.69733	1.7
70.02965	2.4
71.01385	21.7
76.57432	1.7
79.13911	1.8
88.04028	100.0
96.99297	3.4
114.01960	2.1
115.00345	18.6
115.66632	2.0
226.15073	1.7
260.68048	1.7
278.24930	9.7
279.23318	28.1
333.24588	2.8
350.27167	17.3
394.26010	88.2
395.26535	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	394.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82327	20.8
59.01365	20.8
61.98824	100.0
70.33895	24.4
70.47663	22.7
107.89393	21.9
114.01967	22.5
120.83614	22.2
184.85629	22.8
189.69150	25.8
223.29729	23.5
254.95482	25.3
395.29272	89.8
402.97241	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58400	17.0
56.02629	13.7
59.01373	70.7
61.98821	100.0
100.45270	15.4
217.00153	23.9
248.20296	21.0
251.19844	21.2
299.20001	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.333
Annotation	Semiplenamide E
Peak:m/z	Relative Intensity
53.11125	0.2
58.02982	0.4
59.01378	0.2
60.01711	0.2
61.98845	2.8
73.39001	0.2
75.00882	0.3
113.34086	0.2
116.92854	0.6
118.08403	0.2
128.10800	1.3
130.08733	100.0
131.09119	0.5
136.49460	0.3
140.10847	0.4
350.34442	2.2
355.39288	0.2
358.19937	0.3
370.13248	0.3
394.33310	56.9
395.33768	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	395.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88705	0.7
57.63417	0.8
59.01380	3.4
67.26520	0.7
71.01370	1.8
72.00923	0.8
74.02466	1.5
74.34155	0.9
80.46085	0.8
83.05029	1.0
85.02946	1.1
89.02405	1.0
95.01347	2.0
96.95990	19.9
101.02397	0.9
113.02487	0.9
116.05020	4.3
116.85121	0.8
123.00876	34.5
123.01767	1.4
127.04938	0.9
137.02470	0.9
138.03223	52.5
153.05571	20.9
166.99864	16.2
182.02199	53.9
183.02580	1.2
197.04559	100.0
198.04779	0.9
203.08298	6.6
211.07413	0.9
241.00180	7.1
272.11765	1.8
287.23975	0.9
317.51950	0.9
343.43936	1.1
359.09872	15.6
359.14972	3.3
395.06613	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	395.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66349	0.6
50.98844	0.7
51.36986	0.6
53.41181	0.7
55.01876	3.5
57.03455	100.0
59.01384	87.2
65.55391	0.7
71.01379	29.3
73.02626	0.7
73.02953	10.3
81.03462	1.1
83.01385	6.7
85.02948	17.5
86.42954	0.8
87.00855	1.1
87.04504	1.5
89.02446	8.0
93.91048	0.7
95.01385	3.4
96.14879	0.7
99.00874	4.7
99.04514	53.1
101.02437	42.3
113.02441	16.5
119.03538	1.1
125.02440	31.3
143.03505	3.6
159.02983	1.6
161.04553	16.5
251.11368	50.6
255.58075	0.7
291.61047	0.8
293.12491	12.5
307.57455	0.9
314.69528	0.8
320.25458	1.0
333.15558	3.9
343.95474	0.8
351.16626	0.8
395.15646	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	395.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82259	0.9
55.01866	3.8
57.03455	100.0
59.01385	82.3
59.01682	2.6
60.82862	0.8
61.98829	1.8
61.99554	0.8
71.01381	31.5
72.99287	1.0
73.02943	9.6
74.48440	1.0
77.45982	0.9
78.95897	1.0
83.01381	6.4
85.02942	15.3
87.00834	1.1
89.02411	7.4
92.11675	1.1
95.01349	1.6
96.95965	1.4
96.96961	1.2
99.00854	5.8
99.04507	54.5
99.05145	2.1
101.02436	43.6
112.86517	1.0
113.02433	15.6
116.92816	1.0
119.03519	1.3
125.02419	23.0
143.03506	4.5
159.03004	1.5
161.04556	19.0
171.84401	1.1
188.79434	1.0
203.98022	1.1
225.05560	1.1
233.10283	1.6
251.11371	50.8
252.11723	1.0
293.12399	10.7
333.15427	1.7
339.96332	1.1
395.15643	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	395.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41663	0.7
58.00602	8.1
59.01144	0.7
59.01394	12.6
59.58681	0.7
63.81212	0.7
70.27309	0.7
80.91669	3.8
84.15836	0.7
95.05001	4.0
95.84896	0.8
97.06588	1.2
99.08144	38.9
113.06020	0.7
127.07667	8.6
129.09209	73.6
130.09613	0.9
138.12646	0.8
146.01692	0.8
179.10794	1.0
181.12317	4.7
183.13899	62.3
195.13911	4.8
200.51266	0.8
203.10532	1.8
219.09959	1.0
221.11624	1.3
223.13199	14.3
233.07889	1.5
233.11452	0.9
235.09451	1.1
237.11115	1.5
241.14291	0.8
265.10605	1.2
267.12192	9.6
277.21793	4.4
278.11368	4.4
289.21420	0.8
291.88782	0.8
294.79010	1.0
295.22742	12.9
299.19965	1.7
313.23874	78.2
314.24203	1.7
317.20963	15.5
331.18942	3.5
333.20386	1.3
335.22083	100.0
336.22449	1.8
353.21988	1.0
361.77881	1.0
367.19766	3.6
371.06314	0.8
379.21060	3.7
395.23740	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	395.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18686	1.4
52.75959	1.4
57.03463	1.7
58.00598	5.7
59.01382	30.5
61.98816	6.2
71.00128	1.5
71.01355	2.6
78.95879	3.6
93.67717	1.3
100.06815	1.4
102.71306	1.4
107.98888	1.3
112.27541	1.5
118.89359	1.3
121.24447	1.7
121.30614	1.3
125.09742	10.9
127.11273	15.6
141.09207	12.3
143.10770	2.4
148.84492	1.6
150.94905	1.6
155.10762	9.0
165.09068	11.0
167.10439	2.5
171.10278	16.8
174.99252	1.5
180.04161	2.2
181.07103	1.8
181.08437	12.0
183.10051	16.5
191.07080	2.2
193.08464	61.4
195.10040	8.0
197.10269	1.7
199.09688	2.1
201.11340	100.0
207.10020	1.9
209.07985	2.6
221.07962	2.5
222.08737	2.0
223.09540	98.3
223.11737	3.3
225.07526	2.4
227.09100	6.6
239.08899	2.0
241.09334	18.2
249.22086	1.9
267.08478	3.2
277.21759	12.0
295.22757	6.7
313.20218	3.7
313.23856	92.0
314.24258	2.6
317.20959	26.3
331.18942	2.0
335.22101	70.9
336.22498	2.2
353.21872	1.9
361.20242	2.8
379.21198	8.2
379.56577	1.7
395.23297	10.7
407.90704	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	395.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66540	0.4
58.58273	0.6
59.01384	11.6
61.98827	3.9
78.95846	0.7
101.47756	0.6
120.74769	0.5
123.61828	0.6
127.11304	0.9
139.11296	0.6
139.41463	0.7
141.12833	0.6
155.09642	0.6
155.10716	3.7
171.10287	4.4
231.48714	0.6
234.11206	0.6
265.04590	0.7
290.50351	0.5
295.22781	8.0
299.59039	0.6
313.23880	100.0
314.24130	4.0
333.20361	2.6
335.21997	3.7
379.21036	2.5
395.24304	12.8
414.83563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2439
Annotation	Australin A
Peak:m/z	Relative Intensity
53.09942	0.5
54.61037	0.5
54.61543	0.5
55.01874	1.1
57.74053	0.6
59.01389	100.0
61.98822	3.2
65.04278	0.6
76.58402	0.7
85.02949	1.1
85.07127	0.8
87.04512	10.6
110.81958	0.6
123.52046	0.6
135.06622	12.7
147.06662	1.1
153.92577	0.7
168.14030	0.6
177.07695	4.6
205.15979	3.2
217.00323	1.5
233.19142	1.3
277.18100	16.5
295.23129	0.7
301.37720	0.7
313.23703	0.8
395.24405	57.6
396.24692	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	395.244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15974	0.4
59.01369	1.0
61.64808	0.4
61.98817	0.6
65.86350	0.5
66.50002	0.4
68.14574	0.4
71.01379	76.8
96.99285	0.5
115.00361	14.0
115.92065	1.0
133.01436	0.9
154.82718	0.6
163.11275	1.9
279.23294	100.0
280.23679	4.9
281.44598	0.5
395.21805	0.6
407.48386	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25310	71.9
51.04362	62.4
53.68292	59.8
55.45240	66.1
59.01375	100.0
59.85516	64.5
61.89109	69.5
84.94726	72.3
86.31573	80.9
92.65150	79.3
101.02657	99.3
113.48864	78.2
123.96185	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2593
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
57.03454	30.9
58.66427	0.3
61.98838	0.7
69.23884	0.3
76.57259	0.4
78.80430	0.3
81.00548	0.3
163.11287	100.0
164.11511	0.7
210.85428	0.4
219.13919	28.0
220.14296	0.4
337.21756	3.1
395.25912	74.6
396.26346	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	395.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82758	1.1
58.02712	1.2
58.02983	31.6
59.01377	1.7
61.24892	1.2
61.98834	2.8
69.14243	1.0
70.02978	33.5
71.02494	2.4
73.71484	1.0
77.78497	1.0
84.40471	1.1
87.05614	2.4
94.99463	1.2
95.02503	5.3
96.00340	2.1
96.00909	34.1
112.45361	1.2
113.03561	23.8
114.01950	48.0
114.02718	2.2
119.72533	1.2
131.04588	22.0
135.52304	1.1
280.26480	18.8
302.79727	1.3
306.28046	7.6
333.29184	1.7
351.30087	2.3
377.28067	56.5
395.29169	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	395.3167
Annotation	7,11,15-Trimethyl-3-methylene-1,2-hexadecanediol diacetate
Peak:m/z	Relative Intensity
52.43433	0.2
53.10946	0.3
53.15882	0.2
57.03464	3.0
61.98831	0.5
81.71079	0.3
86.68956	0.3
115.03970	0.3
116.07170	0.3
117.73432	0.3
117.74296	0.3
139.11284	4.4
141.12871	2.1
151.66408	0.3
153.61700	0.3
155.14427	12.6
162.67198	0.3
181.15907	3.1
195.17587	2.0
207.17668	0.3
209.19130	7.8
223.16969	0.6
223.20667	0.6
239.20230	1.9
279.23334	1.8
321.31580	0.7
331.30365	0.4
349.31146	39.6
350.31439	1.2
395.31696	100.0
396.31882	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	395.353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.6
66.30630	1.2
71.58356	1.0
79.58451	1.2
80.39933	1.1
84.00882	1.7
89.58416	1.5
147.56805	1.2
185.80174	1.3
306.56039	1.3
316.22894	1.3
349.34799	56.1
395.35315	100.0
396.35785	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88691	92.7
59.01377	95.1
62.74863	81.1
70.52753	80.1
74.41162	80.8
99.92622	100.0
100.17249	93.3
154.17058	93.7
181.28195	90.5
214.79933	88.2
282.24585	99.6
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
51.83593	11.0
52.64118	11.8
58.49754	11.7
59.01382	100.0
74.43742	14.9
93.09406	13.4
98.99548	14.5
104.80558	12.6
107.74976	13.6
116.92863	21.7
121.51060	15.0
140.60045	14.3
173.22723	13.7
217.00253	16.7
347.44577	13.5
394.32297	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	397.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.3
58.00602	3.5
58.89113	0.2
59.01360	0.3
61.98799	0.2
71.01353	0.5
73.02911	0.3
78.34010	0.2
83.04984	0.3
83.60848	0.2
87.04037	0.3
87.04506	4.8
95.04983	1.0
97.88130	0.2
101.48679	0.2
113.06075	9.5
135.08113	0.4
137.09709	6.2
144.58990	0.2
154.97093	0.2
163.11301	0.3
165.05545	3.3
166.25803	0.2
175.11302	0.2
179.07057	0.2
181.08745	1.0
189.12900	1.7
191.14395	1.6
195.90575	0.2
210.60695	0.2
217.16003	0.4
219.17517	1.0
227.14476	0.8
231.17671	0.3
233.19127	1.1
239.14462	0.5
243.17516	2.7
245.19263	0.3
257.15494	19.2
258.15741	0.3
261.11328	12.0
261.18518	0.4
263.20215	0.8
271.17029	1.2
273.18597	13.2
275.16510	5.0
289.18088	1.7
291.19699	3.7
309.20773	6.0
317.17535	0.8
320.16080	0.3
335.18665	45.0
336.19116	1.5
353.19687	7.0
361.16602	2.5
379.17651	16.7
380.18228	0.3
397.18692	100.0
398.19043	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	397.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87090	0.3
53.94423	0.4
54.82996	0.4
57.03459	0.7
58.00603	2.4
61.11348	0.3
71.69000	0.4
85.15836	0.4
86.22964	0.3
87.04511	4.0
87.96157	0.5
88.15923	0.4
89.03146	0.4
93.03464	0.5
95.04999	0.7
102.55708	0.4
109.41165	0.4
110.81744	0.4
113.06080	8.4
137.09712	8.1
165.01826	0.5
165.05531	3.1
173.04488	0.9
181.08809	0.5
186.93411	0.5
189.12837	1.9
191.14455	2.3
202.44984	0.5
216.09254	0.5
243.17555	2.0
255.55284	0.5
257.15482	18.6
261.11365	12.1
271.17050	0.7
273.18655	11.9
275.16617	5.6
289.18106	1.0
291.19699	2.5
308.31174	0.4
309.20709	6.7
335.18674	43.8
336.18939	0.6
340.94940	0.5
353.19592	7.0
361.16531	2.1
361.22409	0.5
379.17639	16.3
397.18698	100.0
398.19028	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	397.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.0
64.81112	0.6
67.38580	0.7
72.87459	0.6
79.95079	0.7
79.95751	12.2
80.96507	0.8
91.50677	0.7
95.67321	0.6
95.95224	3.5
96.96009	87.7
122.97556	5.2
131.82285	0.7
138.97061	0.7
142.14122	0.7
148.66139	0.9
181.70580	0.7
217.00258	1.1
229.22705	0.8
246.35207	0.8
249.82802	0.7
257.35672	0.6
313.36807	0.7
397.22662	100.0
398.22830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82190	29.8
52.44826	32.0
54.82464	32.5
59.01372	100.0
65.77122	33.6
88.49425	44.7
116.92873	49.1
119.89990	46.0
182.29242	45.6
189.07985	42.2
217.00493	49.2
339.19827	66.2
351.56232	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	397.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	28.4
61.98817	5.0
65.42616	1.9
66.94815	1.7
78.30676	2.0
80.80639	2.1
83.05020	8.8
85.02911	1.8
88.98762	3.1
95.05022	2.5
97.06562	15.0
99.04482	2.5
99.08121	2.4
111.04499	21.1
115.07651	5.0
116.92828	2.5
122.03750	4.9
125.02427	2.0
130.36290	2.4
140.04823	16.7
141.05617	4.0
141.09236	17.0
152.68079	2.1
153.12859	63.8
154.65318	2.2
169.12334	4.4
179.10779	38.1
181.12331	8.0
195.10153	2.3
197.11833	18.4
199.13405	100.0
200.13757	3.4
215.12880	9.0
217.00334	13.1
229.14432	15.7
234.67635	2.3
237.14880	3.7
249.18668	3.8
255.16029	49.8
267.19681	92.7
268.19855	2.5
275.16443	7.4
277.18164	2.9
281.17664	8.6
293.17667	24.0
308.98590	2.0
311.18649	49.0
353.13510	2.2
379.24927	29.2
397.25995	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.26
Annotation	ent-19-Acetoxy-14,15,16-trihydroxymanoyl oxide
Peak:m/z	Relative Intensity
53.58551	0.6
54.83121	0.6
57.08147	0.7
59.01387	100.0
60.18099	0.6
61.98817	0.9
87.00868	2.7
99.59319	0.7
119.06055	0.7
137.46309	0.6
165.02094	0.6
174.99263	0.9
217.00252	3.1
272.11987	0.6
279.31812	0.7
293.24860	1.2
302.76645	0.7
313.19635	0.6
337.23935	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	397.3323
Annotation	Lauroyl peroxide
Peak:m/z	Relative Intensity
57.06949	0.9
59.01369	1.8
64.51389	1.0
71.57989	0.9
74.45753	1.2
77.80932	1.1
81.78357	1.2
108.36442	1.0
223.20695	1.4
225.22281	5.9
239.23778	1.4
333.31653	25.4
339.09464	1.3
397.33243	100.0
398.33496	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	397.3322
Annotation	Lauroyl peroxide
Peak:m/z	Relative Intensity
51.84486	0.5
59.01362	0.7
61.98816	0.6
62.19218	0.5
72.21207	0.6
72.99304	0.6
74.09142	0.6
96.95988	0.8
99.92566	4.2
110.39165	0.6
141.12852	7.8
141.93690	1.3
153.12851	1.3
155.14397	1.3
165.68924	0.7
171.14043	0.6
197.19226	0.7
209.19131	8.5
225.18626	8.5
225.22134	0.8
255.23251	2.8
333.31711	6.8
349.31018	2.6
351.32852	5.0
367.32272	0.9
397.33264	100.0
398.17554	1.0
398.33591	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	397.3327
Annotation	Lauroyl peroxide
Peak:m/z	Relative Intensity
56.84724	0.3
59.31694	0.3
59.37988	0.3
60.31630	0.3
69.43174	0.3
116.92880	0.3
118.27425	0.4
127.11329	1.4
129.40155	0.4
130.32407	0.3
139.11281	0.6
141.00102	0.3
141.12871	4.4
153.12886	2.4
155.14423	1.3
163.11282	9.5
174.99487	0.3
176.41925	0.3
176.72638	0.3
183.68918	0.4
197.19095	1.3
209.19125	7.1
223.17044	0.6
223.20700	2.1
225.18626	11.0
225.22197	1.5
237.18590	0.5
239.23772	0.4
253.21735	1.9
307.22891	0.4
333.31696	7.7
337.21472	0.4
339.23477	3.9
340.23740	0.6
349.31149	2.9
351.32709	4.3
397.33279	100.0
398.33539	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	397.3321
Annotation	Lauroyl peroxide
Peak:m/z	Relative Intensity
50.22118	1.9
72.99297	32.0
75.00867	13.1
83.91425	2.3
90.51359	2.5
92.22240	3.1
99.92548	3.6
101.60893	2.4
110.52934	2.2
123.02045	2.3
224.13522	2.6
370.08344	2.8
397.28201	4.6
397.33273	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	398.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.37759	0.6
61.98833	59.6
63.54799	0.7
66.34488	0.7
69.07111	0.7
72.85216	0.7
75.66201	0.7
82.95396	5.0
83.83352	0.7
84.00906	1.5
84.95089	3.2
89.70168	0.7
97.06448	0.8
97.56310	0.8
151.10376	0.7
278.17712	0.9
313.23837	1.5
320.26001	3.4
338.15546	0.8
338.26926	6.6
398.21442	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54998	0.5
57.53606	0.7
59.01372	3.4
61.98822	0.9
73.02949	0.6
75.00867	100.0
92.11752	0.8
136.37364	0.6
153.01831	0.6
164.69553	0.5
285.79968	0.6
295.08243	0.6
362.27188	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03593	60.9
54.82307	69.4
61.98828	100.0
84.56026	67.2
92.12315	83.6
116.92893	68.0
117.93042	79.4
131.55727	88.7
135.85132	64.9
154.03142	79.2
168.81407	67.9
209.45650	87.2
398.31454	99.0
423.25244	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61387	0.4
55.01872	1.1
56.14333	0.4
57.03444	1.0
57.93159	0.4
58.00577	2.1
59.01383	83.3
71.00991	1.1
71.01377	30.8
72.99287	2.2
73.02919	1.9
83.01353	2.1
83.05030	5.5
85.02940	9.7
87.00886	0.5
89.02432	28.8
91.05500	2.6
93.07048	3.8
95.01362	2.8
100.82597	0.4
101.02428	14.8
104.92009	0.5
113.02440	8.9
116.92842	0.6
119.03481	9.6
119.04997	3.1
123.08051	0.7
124.20280	0.5
125.94466	0.5
127.33401	0.5
133.10201	6.9
141.39439	0.5
144.05806	0.7
145.06587	11.5
157.06551	0.6
157.10228	4.0
158.07338	2.4
159.08170	7.4
160.08926	77.1
161.04527	0.8
161.80760	0.5
173.09682	12.4
175.11263	100.0
176.11517	0.7
179.05630	0.9
185.05949	0.5
193.14275	0.5
206.14948	0.5
219.10265	94.6
220.10583	0.7
380.94482	0.5
399.16617	78.5
400.17087	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89905	1.7
51.46599	1.4
54.85034	1.4
55.01882	1.8
57.03431	2.0
59.01386	100.0
61.73605	1.4
61.98818	8.2
70.43886	1.4
71.01377	52.4
72.99300	2.8
78.95885	2.3
83.05013	3.6
85.02933	9.2
89.02443	43.4
89.72766	1.4
93.07075	1.9
95.01376	2.1
100.06024	1.9
101.02452	20.1
113.02467	12.9
114.68085	1.8
119.03472	14.9
119.04948	1.9
122.02466	53.4
133.10225	6.8
135.03116	7.3
136.04022	29.1
145.06575	10.3
159.08138	7.5
160.01573	1.8
160.08925	69.0
164.03554	2.4
169.35245	1.7
173.09674	11.1
175.11263	96.1
187.96288	1.7
219.10272	98.0
290.79794	1.8
335.95932	1.6
399.09137	2.4
399.16718	43.3
400.12482	20.2
403.82870	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44493	92.7
55.73584	81.9
59.01368	89.1
61.58496	82.8
110.28389	84.7
123.76173	87.6
163.11557	95.3
193.66840	85.9
341.48663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.2
71.01377	2.1
96.96062	0.8
99.04517	1.6
99.92587	6.5
100.92603	1.2
101.02419	1.2
114.55796	0.8
116.20175	0.9
116.92833	1.2
119.89983	1.3
120.89677	3.6
151.70961	0.8
232.03043	1.0
279.23297	100.0
280.23581	5.5
281.24121	2.0
335.80026	0.9
337.21872	1.7
391.42706	1.0
399.13397	3.5
399.34866	4.6
400.13013	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04812	25.2
59.01390	100.0
59.65070	26.2
61.98815	63.8
73.51186	29.8
73.91093	29.5
75.97948	27.7
80.15430	28.8
80.23886	24.0
81.34688	27.2
97.31319	30.7
116.92796	53.0
212.87892	36.1
354.81387	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82687	0.3
56.63528	0.2
58.16723	0.2
59.01387	100.0
60.01705	0.3
60.35772	0.3
61.98830	0.5
64.69833	0.3
74.67960	0.3
94.26119	0.3
106.23016	0.3
112.62589	0.3
114.69328	0.3
116.92834	0.4
117.05699	0.4
305.92514	0.3
325.52216	0.3
370.13867	0.3
370.60489	0.4
380.22473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36018	0.7
54.09102	0.6
59.01379	1.8
60.96785	0.7
61.09078	0.8
61.98827	1.7
71.17403	0.7
99.92574	100.0
100.92554	0.9
100.93352	0.9
115.92066	29.1
116.92058	3.6
116.92839	17.4
118.89960	81.8
119.89964	1.2
134.89507	9.4
135.90236	31.2
141.93658	1.5
142.94437	1.7
142.99876	0.9
143.94583	1.5
147.67873	0.9
150.88963	3.4
188.47710	0.9
191.48875	0.9
255.23317	1.2
281.24896	4.6
282.25052	1.6
341.06567	1.1
364.17114	18.8
400.14789	92.7
401.14996	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	400.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74772	0.4
53.42225	0.4
55.01880	2.7
57.03445	2.9
58.00592	0.8
59.01383	30.5
60.01721	0.9
61.98817	3.3
64.34269	0.5
71.01379	39.8
72.01711	3.2
72.99300	1.1
73.02939	9.3
81.03464	0.5
83.01381	3.5
84.01694	0.7
85.02943	17.2
86.03285	3.1
87.00883	0.7
89.02430	14.8
90.02734	1.0
95.01385	3.4
95.08673	0.8
99.00873	2.7
100.01139	0.6
101.02435	18.6
102.02765	3.4
113.02448	14.5
114.02792	2.8
119.03509	5.7
121.06587	10.7
122.06905	4.2
137.09709	100.0
138.10049	45.4
143.03497	0.9
150.03796	0.9
159.03032	2.4
161.04564	12.6
161.24596	0.6
162.04866	3.9
179.05635	1.3
195.80235	0.5
281.32147	0.5
337.15112	7.6
337.18951	0.8
341.11096	2.1
384.54453	0.5
399.16525	0.9
400.16617	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	400.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74772	0.4
53.42225	0.4
55.01880	2.7
57.03445	2.9
58.00592	0.8
59.01383	30.5
60.01721	0.9
61.98817	3.3
64.34269	0.5
71.01379	39.8
72.01711	3.2
72.99300	1.1
73.02939	9.3
81.03464	0.5
83.01381	3.5
84.01694	0.7
85.02943	17.2
86.03285	3.1
87.00883	0.7
89.02430	14.8
90.02734	1.0
95.01385	3.4
95.08673	0.8
99.00873	2.7
100.01139	0.6
101.02435	18.6
102.02765	3.4
113.02448	14.5
114.02792	2.8
119.03509	5.7
121.06587	10.7
122.06905	4.2
137.09709	100.0
138.10049	45.4
143.03497	0.9
150.03796	0.9
159.03032	2.4
161.04564	12.6
161.24596	0.6
162.04866	3.9
179.05635	1.3
195.80235	0.5
281.32147	0.5
337.15112	7.6
337.18951	0.8
341.11096	2.1
384.54453	0.5
399.16525	0.9
400.16617	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	400.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83159	50.4
56.82283	37.7
59.01375	100.0
61.98823	69.9
71.01353	53.2
87.34929	42.1
89.02431	81.0
92.12482	47.7
170.29597	53.6
180.28128	50.0
341.10776	93.0
402.40543	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82605	14.7
59.01387	100.0
61.98830	18.1
71.01394	35.8
72.32030	17.5
83.90102	16.2
84.58744	15.4
87.00866	15.8
89.02435	38.5
116.92905	25.5
126.73135	18.1
149.85760	16.6
171.29591	17.0
295.13623	18.8
298.53964	18.3
331.84384	19.7
341.10855	42.0
388.50659	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	401.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.3
57.03453	6.5
58.00597	5.2
59.01395	99.6
68.99833	1.6
69.03466	2.5
70.56533	1.1
71.01386	82.9
72.99291	8.6
73.02953	8.9
73.08614	1.0
73.89759	1.0
75.00872	21.2
77.82922	1.1
81.03450	1.8
83.01376	6.2
85.02953	42.6
86.11169	1.3
87.00875	15.1
88.07099	1.2
89.01884	2.8
89.02440	83.1
90.98590	1.3
95.01372	9.5
97.02954	2.1
99.00886	13.7
99.04518	1.2
101.02442	30.8
103.00357	2.5
107.05048	18.7
108.02146	1.6
109.02938	2.1
113.02443	49.0
115.00432	3.6
117.01945	3.1
119.03479	24.1
121.02900	5.2
123.04502	7.9
125.02418	1.4
129.01900	2.0
131.03493	5.3
133.02946	11.2
143.03508	5.2
151.00323	2.7
151.03993	23.1
161.04567	10.1
167.04622	3.0
175.02481	1.9
179.05609	21.0
182.20175	1.3
207.05142	1.9
221.06641	2.5
249.06213	25.7
267.07236	45.1
341.10910	86.6
383.09491	1.5
401.10916	100.0
421.79517	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	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20235	1.2
54.82607	1.4
57.03445	5.8
59.01385	72.7
62.76724	1.2
68.99815	1.5
71.01376	51.5
72.99284	7.4
73.02925	2.8
75.00870	22.3
85.02945	34.7
87.00860	11.6
89.02437	37.1
90.51538	1.3
93.03431	2.5
95.01367	9.3
99.00849	13.6
101.02402	14.6
103.00386	1.9
106.04186	2.4
107.05029	16.1
108.40143	1.4
109.02892	1.5
111.00825	1.6
113.02431	38.8
115.95304	1.3
117.01897	2.9
119.03492	7.3
123.04537	7.1
129.01955	2.4
133.02972	9.4
138.03194	1.8
151.03990	21.5
161.04535	1.5
175.02490	1.5
179.05605	8.8
197.04543	2.3
231.04959	3.0
249.06175	30.2
267.07236	47.0
341.10931	31.3
383.09924	2.2
401.10883	100.0
420.75009	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	401.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82547	1.0
55.01898	1.3
57.03445	4.8
59.01389	52.7
60.53985	0.7
61.98844	0.9
63.80424	0.7
65.64491	0.8
67.01895	0.9
68.99801	1.2
69.03456	1.1
71.01386	46.2
72.99310	7.7
73.02937	5.2
75.00877	23.7
83.01387	2.1
85.02956	32.9
85.90780	0.8
87.00874	12.4
89.02444	32.5
93.03465	1.7
95.01386	8.3
99.00885	14.0
101.02434	11.2
103.00378	1.4
106.04246	2.1
107.05019	14.5
108.02150	1.4
109.02888	1.3
111.00890	1.2
113.02441	39.4
115.00351	1.0
117.01940	4.1
119.03499	7.6
121.02946	2.2
123.04515	6.9
129.01909	1.7
133.02927	10.0
143.03479	1.2
143.86198	1.0
151.04002	20.1
161.04558	1.3
175.02444	1.7
176.48853	1.1
179.05612	5.7
193.04883	1.0
205.07320	1.0
207.05057	1.6
231.05142	1.6
244.53230	1.0
246.74574	0.9
249.06155	28.7
267.07199	45.5
304.76599	1.0
341.10873	29.8
383.09555	1.3
401.10892	100.0
402.11157	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	401.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66047	2.1
51.22662	1.8
52.14592	2.1
59.01386	26.8
69.64193	2.4
71.01372	13.0
89.02432	11.9
98.22564	2.4
101.02444	4.0
108.02168	10.0
109.02925	16.2
113.02405	3.8
117.03432	3.9
123.04493	5.8
136.01643	23.6
137.02370	3.5
145.02977	9.8
147.04515	13.6
149.02444	2.8
149.73018	2.6
151.03970	30.1
161.11890	2.7
166.02745	5.8
173.02489	4.1
175.03969	41.8
190.06374	38.4
205.08705	17.8
225.05597	10.5
226.06325	4.0
237.05548	3.2
253.05045	11.0
254.05908	11.7
265.04916	3.6
269.08167	13.1
279.06708	4.9
282.05344	50.1
297.07654	83.5
299.09189	14.7
312.06516	2.9
312.10098	60.0
327.08701	53.3
327.12390	36.4
341.10809	6.6
342.11075	29.5
357.13446	100.0
401.12268	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	401.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38398	0.6
59.01385	10.2
62.47663	0.8
70.48111	0.7
71.01390	6.4
89.02432	6.3
91.46009	0.8
96.95947	1.2
101.02438	1.7
106.58701	0.7
108.02147	6.5
109.02949	10.4
113.02434	1.8
117.03464	3.1
119.03522	1.5
119.05012	1.6
121.02924	1.4
123.00811	1.2
123.04518	7.0
124.01641	4.0
133.02985	0.8
136.01648	19.8
137.02467	5.7
139.03993	3.7
145.02919	6.8
146.03658	1.4
147.04509	13.8
149.02448	5.6
151.04002	28.5
159.04474	3.5
160.01665	4.1
161.02428	3.9
161.04547	0.8
162.03127	1.0
163.04085	0.8
164.04849	3.9
166.02742	1.3
173.02443	11.0
174.03226	5.4
175.03993	53.4
179.05620	1.1
181.05075	1.9
190.06355	33.9
197.06055	2.8
198.06859	4.4
205.08720	17.9
211.04025	2.9
213.09233	0.9
225.05534	10.8
226.06380	8.4
237.05579	1.8
253.05057	11.2
254.05829	14.6
255.06647	1.3
264.04288	3.1
265.04953	3.9
266.05853	1.1
269.08228	11.0
279.06494	6.6
281.04541	3.6
282.05334	54.8
284.51517	0.9
296.06924	1.3
297.07706	81.0
299.09222	16.5
311.09421	0.9
312.07040	1.6
312.10049	64.2
327.08698	53.7
327.12421	45.7
341.11087	7.2
342.11108	28.2
357.13477	100.0
358.13727	1.5
401.12436	16.5
404.95157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56303	0.6
55.01868	0.8
57.03439	1.8
58.00584	1.3
59.01384	93.5
63.15158	0.6
66.53087	0.7
71.01379	58.4
72.99297	1.2
73.02919	3.3
83.01363	1.6
83.75184	0.7
85.02940	10.2
87.00871	1.3
89.02437	76.5
95.01390	3.4
101.02434	28.7
110.45802	0.8
113.02446	24.5
119.03486	24.4
131.03444	1.2
143.03491	3.4
149.04471	0.8
161.04561	7.0
162.26555	0.8
179.05615	18.5
200.06877	0.8
261.18176	0.9
341.10916	100.0
342.11130	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1817
Annotation	Spionoside B
Peak:m/z	Relative Intensity
54.15339	0.3
55.01886	0.7
57.03464	6.0
58.00592	0.7
58.44457	0.3
59.01390	33.7
59.29655	0.3
59.56347	0.3
71.01385	15.8
72.99293	0.9
73.02941	3.2
82.82790	0.3
83.01397	2.7
85.02962	7.9
87.00858	1.7
89.02439	10.4
95.01364	1.7
99.00879	0.7
101.02437	10.2
107.16214	0.3
113.02444	6.0
119.03468	3.9
119.08664	2.7
121.06563	1.9
124.02171	0.4
128.71262	0.3
137.09711	41.1
138.10069	0.4
139.25041	0.3
144.92860	0.3
149.09702	0.7
155.90425	0.4
161.09767	0.5
177.12794	4.8
193.12216	0.4
195.13921	1.4
221.11905	2.7
223.13448	0.8
239.12891	40.9
240.13110	0.7
279.42145	0.4
281.14124	1.1
341.11227	0.4
401.18173	100.0
402.18408	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	401.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10998	0.3
59.01382	100.0
71.01368	4.6
85.02936	0.4
89.02420	7.1
101.02447	2.0
113.02474	1.5
117.04327	0.3
119.03519	2.1
121.02943	3.7
134.33881	0.4
179.05623	1.7
213.18762	0.4
313.07129	0.5
314.92844	0.4
341.10867	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	401.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76786	0.2
59.01386	100.0
60.01725	0.2
61.75820	0.2
61.98834	9.3
71.01378	2.7
80.91938	0.2
89.02428	3.7
101.02451	1.3
102.82129	0.2
113.02493	0.9
119.03532	1.3
121.02975	1.5
163.11320	0.9
179.05701	1.0
238.78737	0.2
339.23172	0.2
341.10971	3.7
341.24979	1.1
357.26300	0.2
422.04559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47818	0.6
59.01387	100.0
61.57449	0.5
61.98822	1.4
65.87610	0.5
71.01381	6.0
75.00860	1.2
85.02989	0.8
89.02454	9.7
101.02421	3.9
112.76985	0.6
113.02456	1.5
116.92799	0.8
119.03476	3.2
121.02938	3.4
179.05617	1.4
197.83763	0.6
341.10931	10.5
341.19836	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	401.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83038	8.4
59.01389	92.5
64.34708	8.0
71.01385	69.5
72.70700	10.3
74.20349	8.1
85.95631	8.3
89.02454	79.5
90.08096	8.3
90.93260	10.6
92.11661	12.9
93.63641	8.8
96.81194	8.7
101.02457	39.9
119.03503	21.1
121.02957	17.6
156.32193	9.6
179.05592	14.9
184.98509	11.8
209.25836	12.0
232.57784	9.8
255.23334	19.5
320.75479	12.2
341.11026	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	402.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.2
59.01646	0.1
61.98837	100.0
64.59216	0.1
69.80853	0.1
80.53345	0.1
83.55032	0.1
114.40212	0.1
163.11282	9.7
174.13441	0.1
176.18852	0.1
225.15108	0.2
254.09151	0.1
271.25296	0.2
277.96970	0.2
339.23309	6.5
422.79358	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	402.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25929	0.3
52.38938	0.3
54.53120	0.3
59.01377	1.7
61.98832	5.7
67.49487	0.3
68.90705	0.3
75.54126	0.3
78.95898	100.0
84.95127	0.6
89.02431	0.4
96.96947	17.0
101.02426	0.3
106.24950	0.4
121.02924	0.3
140.01237	0.3
143.35443	0.3
160.09648	0.3
285.67111	0.4
315.23303	0.4
342.11151	0.5
402.24173	26.1
403.24649	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	402.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.7
59.78446	1.0
61.98819	1.6
66.83398	1.0
66.93901	1.2
71.01382	1.8
71.39775	1.1
72.00900	8.0
83.20874	1.4
91.05524	5.0
117.65303	1.1
147.04523	35.9
148.86922	1.6
159.66176	1.3
164.07172	65.6
222.61978	1.2
254.24918	12.1
342.11160	1.5
402.30206	100.0
403.30420	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	403.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73521	0.8
57.03447	1.2
59.01392	18.2
61.98839	5.0
71.01385	2.3
73.02950	2.0
80.05060	9.6
85.02972	1.3
87.00941	1.3
87.04515	1.0
89.02427	3.3
92.05054	1.8
96.96037	7.2
101.02436	1.6
104.05051	16.9
108.04554	69.9
110.06135	1.9
113.02482	1.3
116.92810	3.3
117.12813	1.1
120.04548	6.2
123.08139	1.1
132.04544	100.0
133.05121	1.0
136.04054	5.3
137.09686	1.7
138.05600	96.9
144.04521	1.6
148.04034	12.7
149.06094	1.3
149.49092	1.0
150.05600	4.6
160.04036	33.0
164.03596	1.4
176.03510	16.4
182.04564	8.8
182.67598	1.0
188.03526	26.6
190.05196	1.5
192.06654	10.4
193.05176	1.3
194.04623	1.4
202.52045	0.9
208.06142	9.8
220.06149	65.7
223.13542	1.4
241.11049	1.0
255.11432	5.6
259.11130	1.4
283.10892	20.4
299.10461	4.0
327.09875	28.3
343.14001	1.8
359.12387	1.6
371.08954	14.1
403.11584	78.9
403.19061	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	403.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.8
59.01367	13.0
66.80432	2.6
71.01363	2.5
72.62489	2.1
73.02950	4.1
80.91663	2.2
109.02941	9.6
121.02977	19.7
123.00951	2.6
124.01576	3.2
136.01654	5.7
136.05254	8.9
137.02434	5.2
139.04022	4.6
146.03752	3.4
147.04527	31.1
148.05266	4.9
150.03220	3.2
151.03979	22.7
158.03641	3.4
159.04495	14.0
160.05215	16.9
161.02405	2.6
161.06084	12.4
162.03229	40.4
163.02734	3.4
163.03996	59.9
164.04793	3.7
168.04230	3.6
173.06133	3.8
175.03986	4.7
175.07643	12.4
176.04808	2.9
177.05542	18.2
178.06346	5.6
191.85907	2.3
211.08055	3.1
215.12888	5.5
246.09190	2.3
283.06232	3.8
284.06937	10.3
298.08426	5.0
299.09219	26.0
307.31262	2.9
313.10672	12.3
314.11588	24.5
329.13947	8.3
359.15012	100.0
360.15268	2.9
403.13995	24.0
403.23169	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03443	2.7
58.00591	2.2
59.01381	100.0
61.98831	12.1
71.01375	46.1
71.05007	2.1
72.99294	2.4
73.02937	6.0
78.28901	1.2
80.05043	2.6
85.02936	13.5
85.74882	1.1
87.00884	1.4
89.02431	37.5
95.01379	2.8
96.95975	11.6
99.04497	7.2
101.02424	17.2
104.05048	9.5
108.04546	30.8
113.02431	15.6
116.92851	6.7
119.03452	14.8
119.04974	2.3
120.04527	5.3
122.76004	1.5
124.05284	2.8
132.04535	44.4
135.11786	2.6
138.05594	47.1
138.06682	1.7
148.04070	8.9
150.05505	1.7
160.04036	14.6
161.04523	1.7
161.09702	2.1
173.82518	1.3
176.03540	7.4
179.05606	4.9
179.10741	36.2
182.04514	2.0
188.03621	12.2
192.06659	2.8
193.05106	1.9
197.11786	1.4
208.06136	2.4
217.50136	1.5
220.06137	23.5
223.09749	62.0
223.13376	2.8
232.16075	1.3
283.10965	11.0
320.69147	1.4
327.09827	11.8
353.31082	1.5
371.08868	7.5
403.11276	28.6
403.15988	5.4
403.19778	2.6
403.23764	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	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15127	12.5
54.82726	13.2
58.77698	13.1
59.01370	39.7
61.98818	100.0
82.49017	14.3
114.17521	16.9
116.92905	20.0
134.89828	15.0
154.80988	14.9
182.26233	17.3
186.26746	18.7
188.33017	16.0
302.14801	19.3
347.26154	29.7
370.63507	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	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15127	12.5
54.82726	13.2
58.77698	13.1
59.01370	39.7
61.98818	100.0
82.49017	14.3
114.17521	16.9
116.92905	20.0
134.89828	15.0
154.80988	14.9
182.26233	17.3
186.26746	18.7
188.33017	16.0
302.14801	19.3
347.26154	29.7
370.63507	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	403.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34158	7.4
59.01377	100.0
60.14348	7.3
61.98836	99.3
70.74155	7.0
76.82653	6.9
80.37858	7.2
88.98763	29.4
89.02431	17.5
100.67363	7.8
104.52914	7.6
163.11420	8.7
182.47310	9.2
183.13976	7.5
184.19264	7.8
185.30815	8.8
188.48938	8.9
233.49504	7.8
245.28139	7.6
313.23883	40.0
341.15656	8.2
343.22705	13.6
351.74149	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	403.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	76.6
61.98835	100.0
75.24450	7.8
87.00854	17.3
88.98783	15.5
89.02430	78.1
92.12428	8.5
201.11356	11.4
313.23764	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.06213	0.2
60.01709	0.2
64.75068	0.2
81.24977	0.2
121.02977	0.4
125.09729	0.7
146.61736	0.2
159.10342	1.0
311.22433	0.2
329.23483	0.4
343.28775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14656	0.2
59.01382	100.0
60.01730	0.3
61.98820	0.4
71.01377	0.2
100.64008	0.2
164.97214	0.3
188.21220	0.2
188.91412	0.3
201.14992	0.2
343.28693	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11055	16.6
59.01377	22.9
61.98822	100.0
65.54826	18.4
74.02046	21.2
91.07764	22.0
116.95511	24.2
124.66336	19.4
139.07620	21.8
160.24019	20.9
229.59198	22.3
264.53104	21.4
285.67178	24.1
287.35928	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	403.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	100.0
59.59914	0.9
61.98848	10.9
64.34554	1.1
82.40773	0.8
82.55840	0.9
83.58599	1.1
107.64024	1.0
129.21001	0.9
141.01677	1.5
341.97684	1.0
366.27887	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
60.01725	0.1
61.98831	100.0
71.01375	0.5
89.02441	0.7
91.02868	0.1
111.74364	0.1
219.49979	0.1
226.99442	0.1
322.82834	0.2
343.11600	0.3
344.12152	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52506	0.5
50.82848	0.5
58.00595	0.9
58.02963	1.3
59.01386	9.5
60.04546	10.1
61.98834	10.1
63.94999	0.6
65.59294	0.5
70.02972	5.1
71.01380	0.8
86.02464	7.0
88.04034	44.9
100.04032	30.7
114.97899	0.6
158.21278	0.6
174.16548	0.6
201.29601	0.6
202.14227	0.7
225.22260	10.1
248.23657	0.6
253.21759	7.9
255.23312	12.4
267.23315	17.4
278.25058	4.7
280.26489	0.8
284.25809	1.4
284.43442	0.7
288.85217	0.7
294.24411	0.7
299.21988	0.7
308.25989	7.2
312.25562	2.5
316.28506	3.5
326.26855	0.7
344.28079	100.0
345.28296	2.3
363.55380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72629	0.4
57.68816	0.4
59.01384	4.5
61.98834	100.0
71.01387	1.2
77.35281	0.5
77.60878	0.4
79.82614	0.4
85.02959	0.5
91.26893	0.5
92.12368	1.0
96.96011	2.0
101.02443	0.6
113.02584	0.4
128.03561	0.5
139.99413	2.2
155.01788	0.9
187.02353	0.6
405.09314	0.7
405.17822	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.35133	0.5
61.98542	1.0
61.98833	16.0
62.07193	0.5
71.01379	5.3
73.02953	1.1
83.01373	0.8
84.34966	0.6
85.02944	3.3
89.02437	0.6
99.00883	0.6
99.05711	0.7
101.02412	3.9
113.02431	3.1
153.01935	33.8
159.03090	0.9
161.04587	7.4
168.04268	28.4
183.06618	18.2
204.05589	0.7
405.17722	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	405.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26833	0.6
57.03457	1.2
59.01389	100.0
61.98843	5.0
63.57634	0.6
71.01386	7.8
73.02923	2.5
85.02953	3.8
87.04494	0.7
93.60318	0.6
93.78980	0.7
100.17830	0.7
101.02440	4.4
113.02465	6.1
121.02937	3.3
127.01131	0.6
133.04984	0.7
138.05595	2.9
144.04561	0.8
153.01935	26.2
154.10707	0.7
161.04552	7.2
161.84431	0.8
168.04277	29.2
183.06616	18.5
189.06734	0.7
204.06610	0.7
222.07663	1.3
253.10765	1.0
272.69995	0.7
292.70932	0.8
387.10742	0.9
405.24957	1.1
428.51541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22498	2.4
59.01394	9.0
61.98844	26.1
64.56937	2.4
71.01385	35.7
73.04074	15.4
74.17583	2.6
84.68223	2.2
85.04054	3.5
88.04051	32.9
96.96005	3.3
99.05651	2.6
101.07187	5.9
107.76534	2.5
112.05138	17.7
113.03571	3.4
115.00365	39.0
116.05057	17.6
116.92893	2.2
128.03510	2.7
130.06210	100.0
131.04662	2.5
132.03046	18.4
141.33430	2.7
142.06247	11.4
143.04674	3.8
147.43192	2.5
158.09396	3.9
160.07338	3.8
162.89340	2.5
202.08302	3.1
203.08263	3.2
259.12018	29.2
289.13092	35.7
290.11517	19.4
361.15225	4.4
405.14154	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86719	0.6
54.82549	0.6
55.01873	0.7
57.03441	1.4
58.00577	1.1
59.01383	64.9
60.78586	0.4
61.71516	0.5
61.98822	0.7
63.91515	0.5
64.34275	0.5
71.00979	1.1
71.01377	28.2
72.99290	3.3
73.02947	9.1
82.94112	0.5
83.01384	1.4
85.02943	7.6
86.60313	0.6
89.02438	28.7
95.01398	1.0
95.05003	1.4
99.04495	0.8
100.03591	0.5
101.02435	13.7
102.22073	0.6
107.37784	0.8
113.02443	9.0
116.92872	0.9
119.03505	7.5
131.03476	0.7
143.03484	0.7
154.93434	0.6
163.11275	5.1
172.65819	0.6
179.05559	0.7
180.54242	0.6
181.12335	42.8
183.10190	0.9
192.38519	0.7
225.11331	100.0
243.12401	5.5
315.29855	0.6
363.20203	0.8
405.17676	62.5
405.24637	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82901	21.1
59.01381	99.5
61.98821	100.0
71.72564	21.6
84.07422	18.8
99.17395	24.1
115.85015	20.3
161.91806	28.1
182.52324	26.1
189.59666	28.0
203.24002	24.5
311.34653	28.7
326.07965	21.5
406.26285	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01031	19.7
59.01370	100.0
61.98819	63.6
69.73726	20.8
72.62960	26.0
99.28592	25.7
123.07745	24.7
334.14993	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	405.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82505	40.5
59.01376	63.5
61.98829	87.6
75.67977	40.3
101.64422	39.8
135.18867	43.6
143.30125	47.9
148.05798	56.2
199.19269	43.2
217.67725	46.4
271.22662	100.0
354.46402	48.8
388.55551	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12228	9.6
56.91106	10.1
59.01374	50.1
61.15593	12.3
61.98832	100.0
81.24669	12.6
145.33681	11.5
154.34875	11.9
174.97012	10.6
285.89954	11.4
294.22272	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	405.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00326	9.6
59.01385	58.5
61.98835	100.0
76.13802	10.6
109.04338	11.0
116.92941	15.1
128.36313	10.1
146.24934	10.2
179.48018	12.5
289.87830	13.5
346.46188	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	405.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21636	9.5
58.90461	9.8
59.01384	100.0
59.39508	8.6
59.77911	9.2
61.98820	69.2
92.48148	11.2
104.16546	12.3
127.16019	12.4
214.77505	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	405.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88764	34.0
59.01377	100.0
61.98838	68.5
62.95064	41.3
87.00880	59.7
132.00702	46.2
134.89713	45.2
158.40735	41.8
200.60962	50.2
229.68123	48.1
244.96815	46.2
257.39655	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98832	2.9
96.45739	0.4
162.40109	0.4
220.37106	0.5
263.08286	0.5
271.22925	2.6
278.63992	0.5
405.30341	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
65.66962	0.1
91.04015	0.8
119.16680	0.2
136.20625	0.2
191.51993	0.2
246.13214	0.2
271.22806	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	406.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08815	0.2
51.79562	0.2
67.52955	0.2
72.00904	14.2
89.34621	0.2
91.05532	1.0
97.17822	0.2
101.92493	0.6
102.57053	0.3
109.20646	0.2
111.00871	0.4
112.01163	0.4
143.97214	0.3
147.04512	48.2
148.04814	0.5
164.07161	100.0
165.07478	1.6
182.17552	0.3
191.01942	0.4
241.08388	2.0
258.66757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	42.9
70.02963	11.5
78.95889	100.0
92.85701	11.7
114.01954	18.9
116.12282	10.2
131.04524	10.4
179.88499	11.5
240.02705	10.0
247.48822	11.7
254.24998	23.7
325.18115	15.4
351.26703	18.0
369.27658	89.9
418.64474	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	407.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02758	0.7
58.02990	14.4
60.98098	0.6
67.77863	0.6
74.02463	3.0
82.02988	1.3
83.06142	2.9
84.04544	7.7
88.51875	0.7
96.05244	0.7
101.07198	9.5
104.22287	0.7
107.06165	0.9
108.20176	0.7
109.04078	16.4
125.03523	1.7
125.07188	3.3
127.05128	49.5
128.03540	12.0
145.06194	44.2
252.06377	0.8
261.22165	0.9
278.24966	4.3
294.89606	0.8
325.18539	1.0
345.29126	24.2
389.28235	5.9
407.29175	100.0
408.29541	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	408.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24327	0.2
54.09518	0.2
59.01407	1.6
61.98841	100.0
70.73746	0.2
75.00886	0.4
79.20242	0.2
85.02973	0.2
99.00871	0.3
101.02438	0.3
113.02465	0.3
121.02884	0.4
123.07622	0.2
157.08698	0.3
200.99001	0.3
372.10410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16154	0.3
53.22451	0.4
58.11889	0.4
59.01371	1.7
61.98821	2.3
67.29658	0.4
71.01360	0.4
82.02898	0.5
84.17312	0.4
93.42255	0.4
95.04992	0.6
101.02413	0.6
123.03252	31.1
136.25858	0.5
138.05597	100.0
141.40845	0.5
286.80841	0.5
300.51205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26606	0.2
51.30209	0.2
58.81557	0.2
59.01391	1.9
59.01638	0.2
61.78362	0.2
61.98832	100.0
62.04070	0.2
63.96781	0.2
73.61757	0.2
78.95913	0.5
81.45892	0.2
152.99672	0.4
176.45407	0.2
203.46671	0.2
310.50076	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2755
Annotation	Malyngamide W
Peak:m/z	Relative Intensity
58.02991	2.7
59.01381	3.6
61.98812	0.7
64.75875	0.6
66.88182	0.6
74.02471	1.6
77.76527	0.8
78.95899	15.2
82.02976	1.1
84.04536	6.9
85.02943	1.2
87.14388	0.7
92.11858	0.8
94.93226	0.7
100.04071	0.7
100.07676	6.1
102.05598	100.0
102.53059	0.7
110.81089	0.6
128.03522	90.4
132.80103	0.7
137.36986	0.8
146.04585	11.8
152.99583	15.3
167.42532	0.7
200.12389	0.9
278.24902	0.9
279.23297	53.3
318.27975	3.0
320.29709	1.2
346.27396	1.5
364.28650	13.3
390.26508	11.3
408.27560	95.7
409.23563	1.3
409.28537	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20254	1.1
52.78055	1.1
52.85194	1.1
55.98523	1.0
59.01379	2.0
71.01384	1.7
73.06737	1.1
77.57439	1.2
87.92525	59.0
88.81187	1.1
103.92017	100.0
104.92804	38.1
105.93573	17.3
106.94373	6.2
111.00838	1.5
113.92820	1.2
116.92863	2.3
117.81085	1.3
123.94630	47.9
127.92033	2.8
130.94354	2.0
143.54698	1.2
145.96715	79.0
147.04509	2.8
147.94672	5.9
148.04802	1.7
154.00505	1.5
161.96207	45.6
163.97786	17.5
164.07201	7.5
171.94637	2.0
173.96207	2.1
189.95677	14.4
199.94144	56.4
240.64545	1.3
244.12929	1.6
262.97726	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96148	2.4
59.01103	4.4
59.01386	100.0
69.15498	2.4
71.03394	2.7
77.55470	3.9
78.24881	3.5
88.49651	3.1
140.33818	2.8
166.54472	3.1
250.93840	4.1
282.94864	3.7
284.10645	4.7
308.79013	3.2
323.81534	3.2
344.79382	3.3
347.87805	3.5
349.22162	6.6
370.16516	3.5
378.52133	3.4
409.23309	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70884	47.3
56.89692	48.1
59.01390	100.0
99.41322	54.3
115.82866	59.3
141.62091	51.0
144.17155	58.5
223.57849	60.5
291.79883	58.1
312.28845	57.3
348.17145	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33420	0.2
61.98827	1.5
70.21310	0.2
78.95899	75.7
82.35550	0.2
84.86254	0.2
96.96954	7.5
110.63441	0.2
112.40949	0.2
136.21782	0.3
150.97975	1.8
152.99585	100.0
153.99957	0.3
171.00621	2.3
182.90790	0.2
200.61713	0.2
233.94473	0.2
255.23296	2.9
334.93951	0.2
359.72549	0.2
361.40945	0.2
365.92633	0.2
409.23615	14.9
410.23795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83050	0.2
59.01395	0.2
78.95903	76.6
80.98492	0.2
83.38327	0.2
90.10679	0.2
96.96960	7.6
106.97010	0.2
109.65956	0.2
150.98004	2.5
152.99591	100.0
171.00644	1.9
255.23279	3.0
409.23630	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	410.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.0
70.54059	2.6
78.60695	2.8
78.95896	2.9
84.95127	21.9
86.54954	2.3
110.54909	2.7
116.92850	37.7
134.66576	2.7
140.37596	2.4
148.04399	33.2
152.99475	4.0
186.17618	2.9
190.96269	2.5
225.22125	2.8
271.22775	10.4
304.26605	9.5
318.28040	5.4
329.18759	3.4
362.26904	11.1
394.01382	3.2
410.27405	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	411.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35178	0.2
58.02986	0.4
59.01381	1.3
71.01378	1.8
73.53984	0.2
79.95731	6.6
80.96490	1.9
85.02946	0.5
87.00872	0.3
88.34763	0.2
91.45690	0.2
94.45025	0.2
95.95212	5.4
96.95999	100.0
99.04501	0.4
100.64310	0.2
101.02431	0.5
102.05582	1.1
103.68277	0.3
110.97571	1.1
122.97585	0.5
138.97066	4.1
139.00337	0.4
144.06673	1.5
150.97046	1.2
157.06398	0.3
168.98094	0.3
180.98206	0.5
196.93234	0.3
222.99300	0.4
225.00662	2.3
241.00253	9.1
241.02715	0.4
291.81442	0.2
315.23129	0.3
341.74893	0.3
411.06055	46.1
412.06326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1271
Annotation	t(6)a
Peak:m/z	Relative Intensity
53.19685	1.2
59.01372	5.8
61.98837	2.1
63.96265	1.4
65.36231	1.2
70.20666	1.2
71.01372	1.3
72.00906	46.8
74.02469	22.7
84.06265	1.5
84.95112	1.6
87.00832	2.0
92.26749	1.2
100.00401	100.0
100.04050	5.1
100.35904	1.5
104.04745	1.5
116.92860	17.6
118.05090	91.6
125.08938	1.3
132.99696	2.0
142.62172	1.3
144.03026	64.6
151.00717	3.0
160.02644	5.7
170.04636	1.5
178.02699	3.1
180.50424	1.5
193.05019	2.3
266.37341	1.6
268.95142	1.6
295.36258	1.3
345.38074	1.6
411.16898	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	411.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71707	1.4
54.87824	1.2
57.03463	1.3
58.70274	1.1
59.01385	100.0
71.01379	26.7
73.02946	24.4
75.14469	1.3
75.62773	1.4
83.01382	7.5
85.02956	3.2
89.02437	8.9
101.02442	19.0
113.02429	12.0
119.03513	2.0
137.09668	10.4
161.04515	1.4
227.47719	1.4
234.23679	1.4
241.57504	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	411.2521
Annotation	Robustol
Peak:m/z	Relative Intensity
51.88033	12.4
56.53245	16.3
59.01385	100.0
83.18916	16.0
97.07120	16.8
117.85341	17.4
177.88101	19.2
181.39296	16.9
411.25278	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93926	13.7
59.01377	100.0
73.20007	15.2
83.05016	74.7
84.05384	20.7
88.98801	81.5
99.12215	20.7
110.40974	20.8
111.75716	17.5
141.18109	16.8
167.07352	19.6
242.09297	18.0
288.18851	19.6
331.25986	17.7
350.24478	41.0
351.24933	97.6
360.18405	21.4
411.25153	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	411.2522
Annotation	Robustol
Peak:m/z	Relative Intensity
50.03773	8.8
51.55010	8.2
59.01371	52.5
61.98824	24.8
70.00483	9.6
76.59958	10.3
83.45173	10.8
107.25645	11.6
120.20690	13.4
121.36520	12.5
134.03763	11.3
243.08795	20.9
291.58069	11.7
411.25162	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	411.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37250	0.5
59.01381	100.0
62.95693	0.5
67.87302	0.5
71.19335	0.5
84.38494	0.5
87.59190	0.5
174.82384	0.5
307.95959	0.5
351.13055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91547	0.4
58.93144	0.3
59.01389	100.0
65.69569	0.4
71.38624	0.4
88.67452	0.4
92.12324	0.6
138.35146	0.5
152.15622	0.4
183.18968	0.4
233.86101	0.4
261.59357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82532	0.6
59.01384	100.0
60.01720	0.7
61.32941	0.6
61.98810	2.6
99.00860	0.6
101.02443	0.9
114.38963	0.6
116.07159	28.9
121.09699	0.7
145.93092	0.7
149.35939	0.8
249.69475	0.8
251.20233	2.8
307.65778	0.9
353.14560	3.1
376.28574	20.5
377.28802	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.7
57.03462	6.0
59.01105	1.4
59.01385	24.8
61.98830	3.1
67.01868	0.9
68.62154	0.7
68.99815	1.5
69.03445	1.2
71.00986	1.1
71.01378	31.8
72.99304	8.4
73.02939	4.5
75.00869	20.1
83.01387	3.6
85.02943	33.5
87.00868	11.8
89.02439	12.4
91.03988	1.3
93.03490	1.1
95.01370	6.5
98.01307	0.8
99.00859	14.2
101.02428	4.9
103.00350	1.6
111.00875	1.7
113.02440	43.5
115.00352	1.2
117.01918	4.6
117.03464	7.6
119.05015	70.8
121.81343	0.8
129.01884	3.4
145.02962	29.6
146.47243	0.8
150.89032	0.9
157.01413	1.6
163.03999	45.2
165.05563	1.9
165.09169	0.8
175.02478	1.0
187.64531	0.7
191.10843	0.9
207.05060	1.5
209.11810	1.7
221.10201	1.6
231.04979	0.9
237.07727	5.4
249.06195	22.6
253.10817	1.7
267.07230	100.0
353.14578	7.1
413.10867	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	413.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64380	0.3
59.01375	0.8
62.48994	0.3
69.03448	2.6
85.02950	0.4
89.03963	2.7
93.03455	0.8
105.03456	0.9
106.04228	0.4
117.03455	27.7
119.05013	73.0
121.02950	3.8
121.41101	0.4
123.04465	0.8
132.02168	6.5
132.05826	0.6
133.02953	11.8
134.03729	100.0
135.04553	3.2
137.02397	3.1
139.03969	0.8
143.05031	0.4
145.02946	35.9
146.03773	0.5
147.04532	0.9
148.05295	1.8
149.06088	8.9
159.04504	0.7
160.01656	22.3
160.05275	0.6
161.02435	5.0
161.06073	1.6
162.03125	0.7
163.04001	50.4
175.04005	13.0
177.01976	1.6
177.05536	6.4
178.02702	2.0
179.03488	0.9
193.05048	41.6
204.04308	0.5
219.06656	3.7
221.10513	0.4
230.70499	0.4
234.05382	3.0
235.06010	3.1
237.07715	1.9
249.07750	3.1
252.06358	2.7
267.08801	2.0
353.14517	0.7
398.10016	1.9
413.12436	84.6
414.12781	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	413.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	15.7
69.03442	0.7
71.01398	0.6
75.20916	0.5
89.03967	1.2
93.03465	0.8
98.88148	0.6
101.02481	0.9
105.03434	0.8
113.02502	0.6
113.98688	0.5
117.03457	29.3
119.05014	73.6
120.05342	0.8
121.02933	3.4
132.02170	5.6
133.02945	12.2
134.03729	100.0
135.04431	3.5
137.02412	2.5
139.03996	0.6
145.02953	35.3
145.06560	0.6
146.03535	0.6
147.04555	1.3
148.05321	1.1
149.06073	9.5
160.01657	20.8
161.02460	4.6
161.06042	1.0
163.03998	43.1
164.04346	0.7
175.03990	9.3
177.01854	0.9
177.05550	8.0
178.02744	1.2
179.03561	0.7
193.05049	43.3
219.06581	4.0
221.10307	2.6
234.05426	2.3
235.06142	4.6
237.07663	2.2
248.01437	0.5
249.07704	3.8
252.06418	1.1
267.08798	1.0
353.14597	3.6
353.23636	2.3
398.10138	1.2
413.12418	71.0
414.12778	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	413.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	15.2
61.98827	1.9
63.09113	1.2
66.70741	1.1
71.01376	9.6
73.02917	6.0
77.33033	1.1
78.95897	5.9
101.02435	9.2
113.02441	2.0
125.90704	1.5
126.86768	1.3
152.99597	23.1
155.26024	1.3
205.61377	1.6
221.10298	8.6
240.53505	1.7
277.21741	100.0
353.14624	20.9
413.20932	6.4
413.32706	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	413.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01733	1.0
79.17648	1.1
92.12415	1.0
99.04490	1.0
101.02404	0.9
109.51364	0.8
117.03432	1.3
119.05026	3.9
134.03691	6.3
145.02957	1.9
163.04012	1.3
168.79121	1.0
193.05124	1.3
200.14125	1.3
201.14941	2.0
210.83340	1.0
219.66585	1.0
221.10266	3.7
353.14474	5.9
353.23361	15.7
413.12466	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	413.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.1
57.03749	0.7
59.01384	100.0
63.03179	0.7
68.75848	0.7
71.01375	1.6
73.02939	0.8
85.02911	1.1
87.04508	1.2
89.31496	0.8
101.02424	3.6
111.56554	0.8
113.02422	1.0
119.05074	0.8
120.99282	0.8
147.05270	0.8
161.04492	0.8
167.10748	1.1
179.97354	0.7
221.10289	4.7
225.07974	0.9
245.17451	1.1
292.56512	0.8
346.74652	0.8
353.14532	5.5
353.23346	26.1
395.86783	0.9
402.72800	0.8
407.58969	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
59.82580	3.7
71.01377	9.4
73.02917	5.6
97.02943	5.0
101.02448	9.6
106.65391	4.6
112.26997	4.1
113.02429	6.8
137.25526	5.0
178.15033	5.4
183.98488	3.7
221.10316	20.3
270.41650	4.3
353.14554	36.6
353.23312	6.6
384.80353	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	413.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.6
60.01700	0.6
61.98832	100.0
65.33722	0.4
71.01361	0.7
73.02963	0.5
75.08468	0.4
87.90757	0.4
89.02450	0.5
97.94379	0.4
101.02443	2.0
210.66891	0.5
221.10370	0.8
248.63470	0.4
251.20200	2.5
300.31519	0.5
316.52380	0.5
353.14673	2.1
380.92676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
206.29201	0.4
214.66841	0.4
214.68916	0.4
384.23959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65322	0.1
59.01387	100.0
64.25484	0.2
79.35995	0.1
87.46669	0.2
92.12347	0.2
109.83561	0.2
118.55508	0.2
124.35484	0.2
136.19649	0.2
138.76268	0.1
139.85898	0.2
208.65329	0.2
212.41246	0.2
358.06323	0.2
359.52664	0.2
366.96869	0.2
429.36224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56149	0.5
57.03448	5.3
59.01386	15.3
61.98833	100.0
71.01376	10.8
72.99315	4.9
73.02924	1.1
75.00863	12.3
85.02943	10.8
87.00864	4.1
89.02422	2.3
92.11781	1.0
95.01366	2.5
99.00890	5.7
99.04514	1.0
101.02434	1.1
101.06071	72.0
108.04564	15.8
113.02432	13.4
117.01907	1.0
122.02479	0.9
125.02452	0.7
128.03557	1.0
129.01956	0.8
147.04588	0.9
161.04475	0.8
193.05121	0.9
231.05136	0.8
235.66237	0.6
237.85916	0.6
249.06146	10.3
260.32590	0.6
351.13000	71.2
352.13367	1.1
415.15790	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	68.0
60.01718	12.4
60.02011	0.7
61.01809	15.0
61.02108	0.6
61.98832	100.0
62.02161	0.4
63.60035	0.3
64.60253	0.4
71.95414	0.4
91.15955	0.4
93.97454	0.4
143.23920	0.4
155.09305	0.4
172.84995	0.6
287.30176	0.5
400.93076	0.5
414.32864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.71452	0.4
59.01392	6.6
60.32829	0.4
61.98828	1.0
62.96544	0.5
66.34396	0.4
67.59277	0.4
71.01376	2.2
75.00829	0.4
85.02966	0.7
89.02434	1.0
93.03449	2.6
96.96008	1.8
100.56557	0.6
101.02451	0.9
102.73769	0.5
105.07098	26.4
113.02461	0.9
116.66600	0.5
121.02946	7.3
123.04501	0.5
133.53577	0.4
134.03720	2.5
139.04010	0.7
149.04887	0.8
149.06067	22.5
149.07191	0.9
150.06458	0.7
191.10835	1.9
193.05057	100.0
194.05368	3.3
200.60533	0.5
355.10159	5.9
415.16159	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38971	0.4
53.40965	0.5
55.01903	0.6
56.39711	0.5
57.03454	2.5
58.00596	0.8
59.01384	40.6
61.98829	3.1
66.89542	0.5
71.01379	15.8
71.05008	0.7
72.99290	0.8
73.02953	0.7
83.01371	0.7
85.02934	4.6
89.02442	9.2
93.03485	0.6
95.01417	1.0
96.96008	2.1
99.00893	0.7
99.04526	0.8
101.02453	6.4
104.79827	0.6
108.02174	0.6
109.02953	1.0
113.02453	6.1
119.03485	3.3
119.08664	0.7
125.06113	0.9
133.02936	0.8
134.03734	100.0
137.02428	5.9
139.04045	1.1
147.04401	0.6
149.06078	33.7
153.09271	1.3
158.07367	4.5
173.09735	3.6
177.03403	0.6
178.02721	21.1
191.10794	11.4
193.05061	92.7
194.05399	1.2
234.04736	0.6
235.09735	4.5
337.30496	0.6
355.10458	2.7
379.16037	1.0
415.16211	31.2
429.96692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1614
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
51.62912	0.3
55.01877	1.6
55.94391	0.3
57.03447	2.4
58.00588	1.7
59.01387	40.8
61.98824	1.4
71.01383	21.5
72.99290	1.8
73.02929	1.8
75.00837	0.5
81.03448	0.4
83.01372	2.3
83.05035	3.5
85.02954	7.3
87.00862	0.6
89.02442	12.6
94.04256	0.5
95.01385	1.4
97.02954	0.4
97.06580	0.4
99.00858	1.4
99.04478	0.4
101.02448	10.1
107.05020	1.6
108.04558	0.4
109.02988	0.4
109.06593	2.6
113.02454	5.7
119.03496	2.5
122.03716	0.8
123.04552	0.5
124.05293	3.7
125.06079	1.6
133.06595	3.4
135.04477	0.4
137.06062	2.0
138.03192	1.4
138.06870	9.6
139.07658	19.1
147.08147	0.7
149.09700	1.8
151.07657	6.9
158.07362	0.8
161.04585	0.4
173.09755	2.3
175.07625	9.9
176.08441	0.5
182.05873	0.7
191.10786	44.5
192.11061	0.5
197.01642	0.4
209.11864	0.6
235.09715	0.4
281.89450	0.4
352.13049	0.7
415.16153	100.0
416.16547	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1613
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
53.09140	0.2
55.01871	1.6
57.03452	2.8
58.00593	1.4
59.01384	46.7
61.98829	0.6
69.14291	0.2
69.65871	0.3
71.01379	24.3
72.59168	0.2
72.99296	2.0
73.02944	2.3
73.44678	0.2
79.05534	0.4
83.01383	2.3
83.05021	4.0
85.02943	8.1
87.00866	1.1
89.02435	13.8
95.01382	2.2
95.05015	0.6
96.62804	0.3
97.02943	0.5
97.06570	0.4
99.00848	1.6
99.04488	0.4
99.93995	0.2
101.02435	11.5
107.05061	2.1
108.02166	0.5
109.06581	3.1
111.04506	0.6
113.02441	8.2
117.47292	0.2
119.03478	3.9
119.08651	0.4
121.06618	0.5
122.03730	1.9
123.04539	0.4
123.08170	0.6
124.05283	4.6
125.02445	0.3
125.06082	1.5
128.03571	0.6
131.08627	0.4
133.06601	5.1
135.04411	0.4
137.06053	2.7
138.03214	1.6
138.06863	10.4
139.07645	18.0
147.08147	0.6
149.09721	3.8
151.07643	7.1
158.07358	1.4
161.04610	0.6
161.09723	6.2
165.09193	0.6
167.03328	0.3
173.09744	2.2
175.07626	9.1
175.11256	0.3
176.08386	0.6
179.05620	0.4
182.05855	0.5
191.10777	49.7
192.11217	0.3
193.05031	0.5
204.11519	0.3
209.11827	1.2
209.71091	0.3
233.11853	0.4
235.09785	5.0
245.35544	0.3
249.05736	0.4
268.07321	0.4
269.07898	0.4
292.93604	0.3
369.02429	0.3
415.16138	100.0
416.16483	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1614
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
51.36020	0.5
55.26933	0.5
57.03441	2.6
58.00576	0.7
59.01387	42.5
71.01380	20.1
72.99291	0.9
73.02930	1.4
83.01373	2.6
83.05022	2.3
85.02946	7.8
89.01909	0.6
89.02440	14.5
92.12374	1.1
94.47069	0.5
95.01363	1.4
97.06591	0.7
99.00883	0.7
101.02439	10.9
107.05052	1.2
109.06566	2.3
111.04494	1.2
113.02465	7.6
113.67716	0.6
119.03486	2.8
122.03761	0.8
123.08187	0.7
124.05283	3.5
125.06062	1.4
133.06586	2.6
137.06094	1.2
138.06863	8.7
139.06697	1.0
139.07666	17.7
141.76433	0.6
142.66531	0.6
149.09703	2.4
149.73918	0.6
151.07646	7.9
161.04562	0.6
175.07651	9.1
182.05852	0.8
187.00568	0.6
191.10794	45.2
342.81747	0.6
361.82944	0.6
415.16138	100.0
416.16373	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	415.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09119	0.4
59.01370	3.0
61.98798	0.7
62.28396	0.4
66.55931	0.5
72.82121	0.5
77.00661	7.5
78.95895	5.5
87.86633	0.5
96.95973	2.6
96.96956	0.7
99.92537	0.6
150.23767	0.6
152.99577	18.9
256.12534	0.6
279.23291	100.0
280.23657	0.7
295.22809	1.1
319.64890	0.6
337.21729	11.9
415.22644	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	415.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.4
70.15466	0.3
78.95904	4.2
87.90112	0.3
87.93895	0.2
96.96968	0.5
121.72926	0.3
152.99582	21.2
247.26849	0.3
261.22125	0.3
279.23294	100.0
279.98062	0.3
280.23645	1.1
325.17468	0.3
415.22562	8.6
429.46649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63857	0.4
68.88042	0.4
73.14918	0.4
74.99097	4.6
77.00665	65.6
78.95907	3.3
92.65960	0.5
96.96917	0.5
114.31578	0.4
124.58034	0.4
125.57969	0.4
147.08107	3.6
149.09656	1.6
152.98341	0.6
152.99582	16.0
161.09682	0.6
163.11307	2.8
164.37988	0.4
179.58545	0.4
187.11249	3.1
229.25551	0.5
265.12173	0.7
279.23315	81.5
280.14749	0.7
280.23694	2.2
307.17081	0.6
309.22339	3.5
321.18750	0.5
337.21777	100.0
338.22217	3.1
415.22992	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	415.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86456	0.4
52.32890	0.4
54.83110	0.4
54.83354	0.4
55.09581	0.4
57.03459	0.9
57.48863	0.4
57.97083	0.4
59.01384	100.0
61.98835	0.6
65.18981	0.4
65.36299	0.5
72.05107	0.5
72.63203	0.4
75.00861	0.5
81.58578	0.5
87.04521	1.1
88.31310	0.5
104.90676	0.6
111.04523	0.7
129.11404	0.6
153.34007	0.5
167.91325	0.5
196.38794	0.5
197.15546	0.7
213.18599	2.0
293.25006	1.9
319.22729	0.7
337.23846	16.4
337.27585	0.7
355.12656	0.7
355.24905	4.8
415.27081	0.6
436.02512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34560	0.3
53.68913	0.2
59.01384	100.0
64.29282	0.3
68.25549	0.3
68.54346	0.3
80.23746	0.3
89.01249	0.4
92.12357	0.4
102.21024	0.4
102.27524	0.3
105.84677	0.3
111.32001	0.4
126.82220	0.4
135.00996	0.3
156.08148	0.3
167.47658	0.3
192.57433	0.4
399.64053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82837	0.2
59.01384	100.0
69.56852	0.2
70.52248	0.2
80.53119	0.2
92.66177	0.2
106.22475	0.2
120.50816	0.2
284.27130	0.3
409.39194	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
61.45206	0.8
61.98828	1.9
78.95905	100.0
82.92007	0.8
104.03247	0.8
110.07234	1.2
110.98525	74.7
134.39185	0.9
153.69800	0.8
158.41693	0.8
162.58679	1.0
254.42999	0.9
275.86194	0.9
416.25717	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68544	0.1
54.82267	0.1
55.15873	0.1
58.83549	0.1
59.01385	50.6
60.01717	8.6
61.01492	0.3
61.01806	9.4
61.02049	0.4
61.98832	100.0
62.02150	0.3
72.48631	0.1
76.56887	0.1
79.95775	0.2
82.93913	0.2
114.38740	0.2
116.92857	0.2
139.28845	0.2
144.37405	0.2
177.09236	0.4
179.10814	0.3
230.83488	0.2
341.20468	0.3
356.22882	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50894	0.1
59.01384	27.4
60.01717	4.3
60.15542	0.1
61.01492	0.2
61.01808	5.0
61.93815	0.1
61.98832	100.0
62.02151	0.2
62.04001	0.1
76.06778	0.1
83.14469	0.1
90.00224	0.1
92.11761	0.1
103.08112	0.1
150.37871	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	417.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.3
57.03450	5.2
58.07766	1.2
59.01112	1.2
59.01385	31.5
65.00317	1.9
67.01876	2.3
68.99812	2.0
69.03449	1.1
71.01382	26.1
72.99317	8.4
73.02924	1.4
75.00870	25.7
77.16341	1.0
81.03452	1.7
82.61163	1.0
83.01376	2.6
85.02950	27.0
87.00864	12.3
89.02429	7.7
91.01885	18.9
93.03429	1.4
95.01373	8.5
95.63959	1.0
96.27300	1.1
99.00888	17.4
103.00376	2.2
103.36624	1.1
107.01224	1.2
108.02175	11.2
109.02973	8.4
111.00887	5.4
113.01711	1.8
113.02435	28.6
113.84822	1.3
115.00333	2.5
117.01953	2.8
123.04520	75.8
123.05408	2.8
124.01614	1.2
125.02367	1.8
129.01938	2.3
148.18945	1.2
151.00389	1.9
152.01147	7.5
153.01944	8.5
155.73235	1.2
165.01846	1.3
167.03490	100.0
226.04765	5.9
227.05643	7.0
231.05174	2.6
241.07111	9.0
249.06175	49.1
267.07193	25.0
313.29532	1.2
357.08005	1.7
385.07822	1.7
399.09265	8.8
400.35425	1.2
417.10428	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.4
57.03436	4.8
58.00592	1.0
59.01107	1.5
59.01385	33.4
59.08963	0.8
65.00315	2.2
67.01872	3.8
68.55096	0.9
68.99810	4.5
69.03445	2.1
71.01383	29.2
71.01766	2.1
72.99307	9.3
73.02937	2.1
75.00867	24.3
83.01361	1.4
84.02144	1.5
85.02462	1.6
85.02947	30.8
87.00867	13.0
89.02430	8.4
91.01889	22.6
91.04012	1.4
91.37112	1.0
93.03458	1.8
95.01386	7.3
99.00855	19.0
100.01221	0.9
101.02402	0.9
103.00354	1.4
108.02150	12.3
109.02947	8.9
111.00865	5.7
113.02445	24.6
115.00367	3.8
117.01942	3.9
123.04514	77.3
124.01629	1.4
129.01944	1.6
131.03551	1.1
139.00357	2.0
142.38936	0.9
149.09727	2.2
151.00392	5.5
152.01138	6.2
153.01945	11.0
167.03497	100.0
175.02501	3.9
207.05006	0.9
226.04829	5.6
227.05656	7.6
231.05077	5.3
241.07173	8.9
249.06154	47.3
256.73508	1.0
267.07178	18.5
355.10352	2.2
357.08124	1.4
399.09424	9.5
417.10397	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.3
57.03444	2.2
57.73417	1.0
59.01110	1.3
59.01393	28.9
65.00344	1.6
68.99809	2.5
69.03458	1.4
71.01388	26.3
72.99316	9.0
73.02941	2.4
75.00881	23.2
81.03461	2.0
83.01378	4.3
85.02950	26.4
87.00876	11.1
89.02433	6.4
91.01892	20.3
95.01361	7.2
99.00874	17.5
103.00358	1.5
108.02173	10.2
109.02943	5.2
111.00869	5.2
113.02444	26.8
114.02261	1.1
115.00368	2.6
117.01916	4.8
123.04514	66.1
124.01611	1.3
129.01952	2.1
139.00366	1.6
151.00386	2.8
152.01144	4.4
153.01932	9.1
160.61761	1.2
167.03490	100.0
174.90862	1.1
175.02455	2.3
226.04871	6.2
227.05598	6.0
231.05162	6.5
241.07196	7.8
249.06137	50.3
267.07227	16.0
378.47247	1.2
385.07819	2.6
399.09448	10.3
417.10419	97.4
418.10596	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	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14936	0.2
53.97794	0.3
54.24459	0.3
55.01881	1.3
57.03466	1.2
58.00607	0.6
59.01385	100.0
61.98832	0.7
71.01379	27.6
72.99295	1.4
73.02940	3.7
73.90435	0.3
75.00880	0.5
77.37399	0.3
83.01395	2.4
85.02943	9.6
85.03402	0.5
87.00879	1.3
89.01875	0.7
89.02437	23.3
92.12450	0.6
95.01392	2.1
97.02950	0.5
99.00887	0.8
101.02428	16.4
113.02446	10.8
119.03485	9.4
131.03514	0.5
143.03555	1.8
149.04575	0.5
159.03061	0.7
161.04547	14.1
161.05815	0.5
176.76642	0.3
177.09177	4.2
179.05608	5.4
181.53630	0.3
195.10277	2.3
357.15579	26.4
358.15894	0.4
367.79010	0.4
376.28351	0.3
417.17694	2.6
426.07938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62919	0.3
52.16922	0.4
54.82882	0.4
55.01883	2.2
57.03447	2.2
58.00608	0.6
59.01384	100.0
61.98832	5.9
66.88248	0.4
69.01491	0.4
69.03451	0.7
71.01379	29.8
72.99305	1.0
73.02944	7.2
75.00887	0.6
83.01385	3.4
85.02946	13.5
87.00893	1.7
89.02438	15.1
92.66097	0.6
95.01382	1.7
97.02941	0.5
98.57911	0.5
99.00871	3.7
101.01772	0.6
101.02432	18.2
101.03073	0.8
101.23248	0.4
108.04561	2.1
109.88164	0.5
110.38969	0.4
111.08153	0.9
113.02444	13.4
115.92041	0.6
116.92866	1.9
119.03497	5.9
131.03470	0.7
132.04553	3.3
138.05605	0.9
139.07648	12.6
140.40465	0.4
143.03520	1.9
159.03030	2.4
161.04547	23.1
161.05832	0.8
164.03604	0.5
171.10320	0.5
176.03551	1.1
177.09274	1.0
179.05685	3.0
182.04601	0.9
195.10338	2.5
205.03653	0.8
267.07843	0.5
357.15576	26.5
417.09766	2.6
417.17535	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.177
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
51.22930	1.7
55.85526	1.6
57.03455	3.5
58.05791	1.9
58.59657	1.6
59.01111	2.6
59.01385	60.6
61.98833	33.1
65.95235	2.1
71.01382	26.9
72.99337	3.2
73.02924	3.4
75.00861	2.9
85.02950	12.4
89.02431	17.7
89.91159	2.0
96.96002	3.2
98.41875	2.1
99.71633	2.2
101.02434	17.4
113.02424	8.4
119.03497	3.9
123.08189	3.2
128.03461	2.3
139.07631	2.4
149.09718	9.4
161.04509	3.3
167.03526	3.4
175.11264	8.6
237.11232	2.5
306.93268	2.4
417.17697	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	417.2418
Annotation	cLPA(18:1)
Peak:m/z	Relative Intensity
53.74518	4.2
55.45862	4.6
59.01378	28.1
61.98827	14.4
62.13427	5.2
63.32222	5.2
76.22207	5.9
79.95734	9.9
149.09698	12.6
152.99553	9.7
255.23381	9.1
281.24893	100.0
417.24680	10.1
436.44662	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	417.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82426	0.3
57.03471	0.4
58.00605	0.4
59.01384	100.0
60.01728	0.5
61.98827	0.7
62.37633	0.4
63.22859	0.4
66.39215	0.3
67.34898	0.4
71.05026	1.7
73.02956	1.6
78.86471	0.4
81.07095	0.7
83.05022	0.6
83.57571	0.4
91.45808	0.4
92.11840	0.5
97.06580	0.5
99.08204	0.6
109.06597	1.8
111.08146	1.7
121.06598	1.9
127.07672	0.5
127.11275	1.7
137.09761	0.8
138.06874	2.3
139.07645	5.1
149.09679	0.5
151.11293	0.7
157.12376	0.6
167.10782	2.9
187.13474	2.5
199.13522	0.6
213.18657	0.6
218.95482	0.4
224.50194	0.4
229.18173	0.8
249.18575	0.6
251.20122	0.6
269.21347	2.3
279.23383	0.5
281.21170	7.7
299.22290	22.7
300.22787	0.6
357.26569	2.1
401.07437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54516	0.2
54.82522	0.2
55.12571	0.2
58.03751	0.2
59.01385	100.0
60.01721	0.2
62.49018	0.2
68.61391	0.2
69.90395	0.2
74.30672	0.3
79.21815	0.2
90.92181	0.2
92.65338	0.3
111.08136	0.4
125.09734	0.5
205.02550	0.2
207.06955	0.3
213.18686	0.4
229.18219	0.5
279.23352	0.6
287.95105	0.3
297.24481	0.3
339.25449	0.3
357.26584	2.3
390.60037	0.3
396.38782	0.3
417.21387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.1
59.01387	100.0
60.46436	0.4
68.88093	0.4
69.78380	0.5
85.02965	0.9
87.04516	2.2
90.59801	0.5
96.96019	0.5
97.06600	0.7
99.08195	1.2
111.08138	0.8
123.08147	0.5
125.94701	0.5
129.09251	0.6
137.09717	0.6
138.06854	0.5
141.95053	0.5
143.10767	1.0
151.11334	0.9
153.09238	0.9
167.10736	0.6
169.12357	0.7
187.13506	2.0
216.13812	2.9
229.18153	0.8
230.26010	0.5
232.55370	0.5
244.31909	0.6
245.17737	0.8
274.86819	0.6
313.02237	0.5
327.25613	0.8
339.25455	5.0
357.26498	38.6
358.26816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01712	0.6
71.60768	0.4
127.33054	0.5
131.39774	0.4
132.01501	0.5
393.35870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32026	0.2
52.07384	0.2
54.83375	0.2
59.01385	100.0
78.47040	0.2
78.56142	0.2
79.14460	0.2
93.85029	0.2
102.19487	0.2
130.37212	0.2
172.29288	0.2
184.44142	0.2
188.29733	0.2
243.11786	0.2
248.88315	0.2
270.27048	0.2
285.43747	0.2
307.11005	0.2
325.57129	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	418.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07069	0.3
59.01386	54.6
60.01722	10.2
61.01810	11.6
61.02105	0.5
61.98835	100.0
62.02135	0.3
68.47303	0.3
77.04646	0.4
78.33568	0.3
105.21391	0.4
170.37195	0.4
184.05194	0.4
188.31145	0.4
344.21771	0.4
384.23892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12096	2.4
56.52071	2.7
59.01383	100.0
60.03357	3.1
60.55455	3.0
61.98832	16.8
63.20776	2.4
66.72773	2.9
92.11759	4.3
109.02219	3.5
196.57831	3.8
197.71927	3.3
325.62778	3.0
359.28152	5.2
444.37552	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	419.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24091	0.2
54.82731	0.2
57.03460	1.1
59.01387	100.0
71.05003	2.9
72.70773	0.2
85.06589	0.4
87.04508	0.5
88.04919	0.3
97.06601	0.6
99.08191	0.4
129.09245	0.4
153.12909	0.4
157.12357	0.3
171.13995	1.1
183.13982	0.5
189.09230	0.4
201.15079	1.6
229.18074	0.3
309.58734	0.3
329.26947	0.3
341.27066	5.3
341.45160	0.3
359.28088	17.3
360.28336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.01688	3.3
61.98836	5.7
63.21875	1.2
83.61607	1.3
96.94291	1.5
98.95656	1.4
113.58141	1.5
154.61029	1.6
155.02156	1.4
161.28355	1.5
173.66936	1.4
213.18521	1.9
315.25320	3.4
338.77417	1.3
359.28104	17.7
433.10815	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62827	0.2
52.32708	0.2
57.03452	0.6
59.01385	100.0
60.01716	0.3
63.91157	0.2
65.27035	0.2
68.93785	0.2
75.00867	0.2
75.51312	0.3
80.39738	0.3
87.04503	0.3
88.01096	0.3
121.10249	0.3
127.43457	0.2
143.10829	0.3
190.10686	0.2
197.15485	0.3
213.65160	0.2
317.91656	0.3
341.26920	0.3
359.27994	7.6
430.03375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29725	0.2
57.03469	0.5
59.01390	100.0
61.20773	0.2
61.98840	0.3
71.01401	0.3
71.04991	0.2
73.02974	0.2
73.58149	0.2
78.77862	0.2
88.67792	0.2
128.28880	0.2
137.09770	0.3
143.10779	0.2
168.81795	0.2
198.38448	0.2
211.39842	0.2
226.03909	0.3
255.15082	0.2
271.22858	0.2
341.27173	0.3
359.28110	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	420.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94680	0.1
59.01381	0.7
60.28067	0.1
61.10290	0.1
61.98832	100.0
62.61292	0.1
64.50307	0.1
66.56290	0.1
71.01384	0.2
80.36711	0.1
100.23374	0.1
101.02395	0.1
104.39352	0.1
125.62538	0.1
291.08173	0.1
439.42010	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	421.091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51949	1.1
55.01881	0.9
57.03450	4.6
58.00604	0.9
59.01102	1.8
59.01384	31.7
61.98825	6.5
69.03471	1.0
71.01380	32.9
72.99315	7.3
72.99698	1.0
73.02934	4.4
75.00868	22.2
79.82519	1.1
83.01392	1.4
85.02950	33.2
87.00869	13.5
89.02414	9.5
91.05530	29.3
95.01385	6.8
96.96004	1.4
97.97979	1.0
99.00884	11.7
103.00358	2.4
111.00861	1.8
113.02452	33.6
115.00378	2.4
116.92870	2.1
117.01928	5.0
117.03468	5.5
118.24571	0.9
121.02973	2.1
123.21160	1.0
129.01970	2.3
135.04532	12.0
140.40337	1.0
170.22755	1.1
175.02538	1.3
189.04213	1.0
205.07190	1.1
207.05081	2.3
216.31433	1.1
231.05092	3.8
249.06140	31.4
267.07220	73.1
270.17609	1.0
385.11426	100.0
421.16461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1558
Annotation	Losartan
Peak:m/z	Relative Intensity
53.22468	4.7
57.62107	5.6
59.01395	7.1
61.98839	10.0
64.45543	4.9
74.14380	5.8
76.57213	6.0
77.33743	5.8
78.95912	8.3
79.90162	6.4
99.15924	5.8
116.92879	8.4
121.02943	14.9
125.22892	5.6
129.14029	5.7
180.52910	6.3
212.55040	6.5
421.15634	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	421.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
59.01384	9.1
59.80420	0.6
61.98832	100.0
62.78247	0.6
62.98552	0.8
64.95638	0.6
68.15427	0.6
71.01374	3.2
82.95403	2.9
85.02950	0.8
89.02428	1.3
99.04501	0.8
100.37271	0.7
105.95629	0.7
116.92847	1.5
276.06680	0.7
276.86340	0.7
385.61099	0.8
421.16556	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.164
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
50.97177	6.4
53.31927	6.3
57.03457	6.4
59.01400	100.0
59.94567	6.2
61.98823	33.6
65.02103	5.7
68.04499	7.9
71.01375	16.3
73.02952	12.3
75.00854	14.6
78.14539	6.7
78.89709	7.4
83.54074	7.2
85.02933	31.6
89.02411	9.0
94.67622	7.4
95.95434	8.6
96.95988	28.3
98.15672	7.2
101.02448	7.9
108.44223	6.9
113.02426	11.6
116.92829	13.7
150.03172	12.1
249.06157	9.9
256.17502	7.8
267.07053	10.1
292.21460	7.3
303.12283	8.8
385.11404	16.8
412.67108	8.6
421.16287	57.8
421.24988	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	421.1639
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
57.03439	8.2
59.01391	47.9
61.33240	4.7
61.35260	5.0
71.01380	32.2
71.05022	5.2
75.00871	6.8
77.90995	5.5
84.78044	5.2
85.02940	24.3
87.00868	7.9
91.05508	7.2
96.67010	5.3
99.00928	6.3
113.02432	30.2
119.52042	4.9
146.08235	59.4
156.55432	5.7
181.90366	5.7
186.47734	6.7
198.70088	6.4
205.05153	7.7
249.06114	6.3
267.07236	82.1
277.12283	49.3
385.11227	47.3
421.16425	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	421.164
Annotation	Pomiferin
Peak:m/z	Relative Intensity
54.82559	2.1
56.33577	1.7
57.03442	2.2
59.01375	13.8
59.20281	1.8
59.85877	1.8
60.85727	1.9
61.98833	64.4
71.01394	3.0
78.95873	2.4
85.11388	2.2
93.69645	2.2
96.96011	2.6
113.75096	2.5
119.64115	2.1
144.77112	2.4
330.21228	2.5
407.13925	2.5
421.16351	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	421.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93646	8.8
54.82484	11.5
59.01376	100.0
59.67852	9.5
61.70853	9.2
61.98822	21.7
66.99129	8.5
73.02924	44.4
75.00873	9.5
77.69621	11.3
83.05079	12.5
87.48730	11.6
88.25815	11.1
116.92844	79.2
146.61926	12.6
149.32091	10.7
154.71814	13.7
166.02740	24.9
403.10590	13.2
421.16501	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	421.2267
Annotation	1,4-Bis(2-ethylhexyl) sulfosuccinate
Peak:m/z	Relative Intensity
53.59270	0.3
65.27428	0.4
76.14949	0.3
78.95879	0.5
79.95733	0.7
80.96512	100.0
106.86840	0.4
160.27553	0.4
254.11960	0.5
421.22739	24.2
422.23004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27535	0.1
51.43187	0.2
80.91686	0.8
83.67279	0.2
103.51620	0.2
112.98170	0.2
114.24456	0.2
123.18403	0.2
141.74898	0.2
142.29956	0.2
163.11282	100.0
164.11604	3.1
208.74756	0.2
313.54349	0.2
326.35757	0.2
339.23291	47.7
340.23627	2.4
421.22379	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82827	0.5
59.01382	8.2
59.87093	0.5
60.01720	0.8
61.01811	1.0
61.98835	100.0
62.82788	0.5
64.10689	0.5
72.18448	0.5
96.95982	1.3
98.72898	0.5
107.84834	0.5
259.48148	0.6
433.38440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83146	1.3
57.03461	36.2
59.01391	100.0
61.98833	2.9
66.93781	1.5
69.03513	1.3
71.01038	2.5
71.01389	45.4
72.99311	1.8
73.02583	2.4
73.02953	42.0
75.00852	2.8
79.05524	2.2
81.03453	2.3
83.01383	12.0
85.02958	13.8
87.00852	2.8
89.01945	2.3
89.02449	34.5
92.11726	2.2
93.03420	2.4
95.01394	2.2
96.95995	8.3
97.06538	1.5
98.92074	1.4
99.00867	2.3
99.04514	41.6
101.02438	39.5
113.02449	24.8
113.06061	3.1
115.00272	1.7
115.25533	1.9
119.03485	13.2
123.04519	13.9
125.02443	6.2
131.03485	1.9
137.02443	6.8
143.03520	2.6
161.04555	9.2
163.11287	1.9
179.05580	3.8
205.04990	1.7
225.00746	3.8
257.80804	1.6
267.07227	11.5
279.10852	41.2
321.11954	22.5
361.15021	2.2
385.11246	8.4
387.16666	7.1
423.14774	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	423.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94643	1.7
57.03192	2.4
57.03456	57.7
59.01387	100.0
61.98823	2.7
71.01378	51.3
71.05014	2.6
72.99289	2.5
73.02947	40.3
75.00853	3.8
76.36125	1.9
80.91666	2.8
81.03469	2.5
83.01382	8.3
84.90997	2.1
85.02937	8.9
89.02441	30.9
92.65308	2.0
95.01378	2.2
96.03189	1.8
96.95994	9.3
97.06565	2.6
99.04507	14.7
101.02438	53.1
113.02457	18.1
113.06155	2.9
117.05538	3.1
119.03479	13.8
123.04495	11.1
125.02428	2.3
134.02443	15.7
147.69084	1.9
161.04474	4.2
182.74634	1.9
190.16667	2.0
279.10864	77.1
321.11917	32.1
361.14993	9.1
423.10007	2.6
423.14511	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	423.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	26.5
59.01104	6.6
59.01383	100.0
61.98828	9.4
63.20065	3.3
71.01384	40.6
73.02941	24.9
78.64349	3.4
81.03458	4.3
83.01363	4.9
83.05062	3.2
83.39349	3.4
85.02950	6.9
86.57789	3.4
89.02440	24.6
94.67982	3.2
96.96008	6.5
99.04505	21.5
101.02428	35.3
111.08135	6.0
113.02463	6.0
114.05595	18.4
117.05590	7.4
119.03531	7.2
121.02879	3.9
123.04527	7.5
123.90263	3.5
126.01923	3.9
137.02441	4.0
139.50671	4.3
161.04567	6.5
163.11275	7.2
170.72916	3.7
179.05655	4.8
181.01546	3.7
261.12515	24.4
279.11044	32.8
279.13571	4.4
286.55020	4.7
321.11914	18.1
364.80768	4.0
387.16669	30.3
405.08417	4.6
423.10098	4.7
423.15872	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	423.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82723	1.3
59.01385	100.0
61.98837	19.1
67.25040	1.5
68.61772	1.2
71.01376	16.1
73.02937	2.5
76.89798	1.4
85.02954	8.2
85.42693	1.5
87.04504	2.3
89.02448	13.8
89.83965	1.5
91.78416	1.9
92.12379	2.0
93.56216	1.4
101.02415	11.9
113.02455	8.1
114.93389	10.7
119.03471	5.8
161.04659	1.6
163.11238	10.9
173.11745	2.7
188.85063	1.4
191.28009	1.6
197.91519	1.7
221.40210	1.6
240.18253	1.5
300.60440	1.8
301.94635	1.8
361.14215	2.1
363.20322	6.0
387.16653	67.1
388.17020	2.3
423.18759	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	423.179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.03452	21.6
58.00613	2.1
59.01102	3.6
59.01383	83.9
61.98820	11.5
67.76802	1.9
71.01377	39.1
71.05003	10.1
72.99305	2.5
73.02946	24.6
73.79605	2.1
74.37052	2.1
75.00838	2.8
83.01374	5.7
83.04994	3.0
85.02949	10.7
87.00822	2.5
89.02420	19.7
95.01387	2.3
96.95934	2.1
99.00874	2.8
99.04498	4.1
101.02428	27.6
102.23498	2.8
110.83270	2.4
111.08155	26.5
113.02438	11.9
113.06093	3.6
116.92844	4.0
117.05570	75.9
119.03467	4.0
137.02467	2.9
141.32072	2.1
165.05466	3.9
173.08150	18.2
182.28532	2.2
279.08020	3.8
279.10861	82.9
280.11212	2.3
321.11899	52.3
361.15051	13.6
387.16425	9.8
423.15619	100.0
423.22452	10.2
424.15683	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	6.3
59.01111	1.5
59.01384	33.8
61.98822	4.5
69.03448	1.3
71.01378	17.4
72.99293	5.7
73.02933	2.3
75.00872	14.8
76.57541	1.1
85.02943	16.8
87.00867	5.8
89.02440	8.1
95.01355	2.3
95.16066	1.0
97.06554	1.0
99.00881	8.7
101.02422	2.2
113.02438	15.5
113.09694	6.3
115.00335	1.2
116.92839	8.0
117.01932	4.2
125.09702	16.1
127.11269	6.9
165.37668	1.2
165.59912	1.0
166.25447	1.1
173.11810	100.0
174.12288	1.5
187.09756	12.3
249.06114	16.1
423.18671	95.0
424.19135	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58188	0.3
78.95487	0.5
78.95892	13.3
87.85150	0.3
104.97486	0.4
110.98525	10.8
124.69531	0.4
137.00070	0.5
167.01126	10.4
185.02191	1.6
236.69859	0.3
255.23293	100.0
256.23584	2.1
349.77206	0.3
372.94949	0.3
423.25198	20.7
424.25641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20854	0.2
52.41260	0.2
55.15981	0.2
78.75011	0.2
78.95901	12.3
110.98525	9.7
153.40881	0.3
155.63831	0.3
167.01147	8.5
185.02144	1.8
197.85727	0.3
237.22334	0.2
255.23317	100.0
256.23660	2.3
300.08167	0.3
423.25247	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	423.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43898	0.2
57.03428	0.5
59.34612	0.2
61.77668	0.2
61.98812	0.6
64.68279	0.2
67.05495	1.8
68.70564	0.2
69.03422	0.5
76.57307	0.3
109.06529	0.3
111.04475	1.2
138.33423	0.3
155.80768	0.3
189.12929	0.5
205.15981	100.0
206.16275	1.5
224.29800	0.3
255.23265	0.6
267.26901	2.4
285.76917	0.3
322.02710	0.3
379.32202	13.1
423.32578	53.5
424.32745	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	424.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	0.3
62.01547	0.2
62.20807	0.3
65.88697	0.3
67.53581	0.2
78.95899	18.2
89.88432	0.3
92.11742	0.6
122.00137	0.6
132.35397	0.3
140.01193	5.0
151.90352	0.3
152.99593	1.3
196.03796	7.5
209.19266	0.3
214.04877	1.7
227.20174	100.0
228.20506	2.7
258.07513	0.3
275.26752	0.3
382.39517	0.3
424.24716	20.3
425.25174	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09560	0.2
54.82293	0.2
57.03449	0.5
59.01382	2.3
71.01376	3.1
72.99297	0.4
73.02950	0.9
75.00861	2.4
78.98441	0.2
79.95728	8.0
80.96505	1.4
82.68370	0.2
83.01376	0.4
85.02946	4.1
87.00874	1.1
87.25790	0.2
92.11726	0.3
95.01408	0.2
95.95228	5.6
96.95998	100.0
97.48463	0.3
99.00869	0.5
101.02434	1.4
113.02454	3.1
122.97564	0.9
138.97070	4.6
141.95822	0.4
150.97072	1.2
152.98657	0.3
153.01912	0.5
164.98601	0.5
168.04266	0.4
168.98082	0.5
180.98120	0.9
182.99738	0.2
197.01219	0.3
207.39896	0.2
222.99223	0.8
225.00754	3.0
226.70612	0.2
241.00230	10.4
249.13493	0.3
410.05313	0.3
425.07648	48.7
425.16281	8.4
426.08047	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	425.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
56.52254	0.2
57.03449	0.6
57.21492	0.2
59.01385	3.4
64.43716	0.2
71.01383	4.2
72.99303	0.6
73.02960	0.4
73.05461	0.3
75.00868	2.7
79.95732	8.0
80.96514	1.7
83.01405	0.5
85.02934	3.7
87.00876	1.4
95.01412	0.4
95.95229	6.9
95.96762	0.2
96.96000	100.0
99.00885	0.6
101.02416	1.8
113.02432	2.6
122.97594	0.5
138.97066	4.0
141.27794	0.2
141.95737	0.3
150.97046	0.5
153.01953	1.2
164.98650	0.5
168.04308	0.4
168.98088	0.3
179.81447	0.3
180.98093	1.1
182.99680	0.4
197.01395	0.3
222.99323	0.4
225.00761	3.0
228.01030	0.3
232.89697	0.3
241.00259	9.3
249.13425	0.3
254.95419	0.3
282.46158	0.3
355.34033	0.3
425.07654	43.8
425.16312	9.2
426.08060	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50919	0.5
54.82326	0.7
59.01107	0.9
59.01386	19.7
60.99306	0.8
61.98832	3.1
62.90808	0.6
65.17487	0.5
71.01387	6.5
72.00909	30.3
72.99310	0.9
73.02966	0.7
82.95406	3.8
83.71480	0.6
85.02934	1.6
87.00872	2.4
89.02441	7.5
96.96002	5.5
100.00399	100.0
100.04041	8.3
101.02438	4.5
101.06068	2.6
113.02427	3.8
114.75687	0.7
119.03458	3.1
120.61644	0.8
144.03027	74.4
148.06224	2.6
151.00688	1.5
177.01909	5.6
192.04282	7.3
207.06642	11.9
209.11870	3.8
263.31992	0.7
273.17133	0.8
351.13123	2.7
387.16684	2.7
389.18234	21.5
425.19226	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	425.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.98844	15.2
62.74675	15.3
71.13013	11.9
82.95442	23.7
116.92831	20.6
118.09103	12.5
147.87996	13.5
227.20108	19.5
228.20595	69.9
286.44211	11.8
397.06961	13.9
425.28668	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	425.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82464	0.4
62.39845	0.5
71.78438	0.5
74.25430	0.5
75.14383	0.5
77.57432	0.5
92.11698	0.6
95.10526	0.5
110.68841	0.6
110.89593	0.5
111.93670	0.5
121.06582	8.6
149.06076	100.0
169.10617	0.8
246.28365	0.6
330.81952	0.6
338.44769	0.6
341.24808	0.7
367.26416	19.5
399.83127	0.6
407.29639	5.2
425.30707	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	425.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55949	0.3
54.82401	0.3
58.15758	0.3
59.01382	0.4
67.47160	0.4
69.00922	0.3
82.95412	0.4
89.58295	0.3
92.64466	0.3
95.82925	0.3
99.92594	0.3
100.15117	0.3
108.16330	0.4
115.92072	2.8
116.92828	0.7
121.06586	9.5
136.05296	1.3
149.06075	100.0
150.06613	0.7
197.05493	0.3
204.11572	0.4
234.92661	0.4
275.52707	0.4
299.20224	1.6
299.82239	0.4
393.79321	0.4
400.11111	0.4
407.29565	1.9
410.28183	0.8
425.30649	25.7
426.19659	0.7
426.30930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.1
59.22929	0.8
60.03425	0.8
60.03701	0.8
76.57218	1.0
89.25895	0.9
92.11714	2.2
114.33749	0.8
137.06088	26.1
165.05560	100.0
166.05862	0.9
209.56236	0.9
250.27139	0.9
425.30634	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	426.3017
Annotation	Tortifolisine
Peak:m/z	Relative Intensity
58.02989	7.2
71.17615	0.4
72.00916	9.8
74.02506	0.5
87.02725	0.4
91.05523	7.4
92.12302	0.7
117.06364	0.4
123.71064	0.6
134.46834	0.5
135.04475	0.8
147.04514	46.3
153.20193	0.5
164.07164	81.4
258.47522	0.5
278.24942	1.2
290.24872	2.3
319.37390	0.5
382.30981	1.2
426.30154	100.0
427.30554	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	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75867	0.4
55.01879	0.7
57.03442	1.1
58.99594	0.5
59.01385	100.0
61.98836	4.4
71.01380	19.0
73.02930	10.6
82.95438	0.6
83.01365	2.6
85.02936	7.9
87.00861	1.2
89.02441	4.0
92.15974	0.7
95.01359	1.3
97.02933	1.5
99.00829	1.0
101.02420	7.9
113.02416	8.3
113.06020	0.7
116.52235	0.6
116.92829	1.0
119.03527	1.1
123.08131	1.3
125.06084	0.9
136.05327	2.7
138.06833	12.5
139.07625	2.9
151.07625	7.6
152.08424	22.1
153.09198	37.8
154.09564	0.7
161.04567	3.0
177.34221	0.7
187.11389	0.8
190.10078	0.7
197.61217	0.7
205.12337	16.9
205.14174	1.0
223.13420	5.7
367.17627	11.2
385.18680	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1975
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
51.14678	1.3
54.74845	1.4
55.01871	2.1
57.03442	2.4
59.01391	78.4
61.98825	3.7
63.25981	1.4
63.61736	1.6
71.01377	32.5
72.99312	2.4
73.02957	15.7
74.05577	1.6
83.01373	2.4
85.02952	12.6
85.38334	1.4
87.00857	4.3
89.02424	17.1
96.95994	8.5
101.02438	19.5
111.04501	3.5
113.02422	10.3
116.87954	2.0
116.92851	2.6
118.34444	2.1
119.03489	4.2
137.09764	12.7
153.09210	2.2
165.09180	3.2
203.14395	14.2
205.12350	3.8
284.02139	1.9
420.48376	2.0
427.19739	100.0
427.24557	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	427.2468
Annotation	Graviphane
Peak:m/z	Relative Intensity
59.01377	21.0
59.60083	2.1
61.98827	11.2
62.14974	2.5
64.71870	2.4
70.86005	2.7
71.01372	5.6
73.02947	6.3
79.22596	3.0
96.95992	5.9
98.63005	2.8
101.02422	5.7
113.02361	2.4
116.92843	3.2
128.03731	2.7
137.09732	16.2
181.79720	2.8
205.12299	4.9
208.48413	3.2
257.77054	3.3
319.82288	2.9
373.81873	2.7
391.26974	3.5
398.31915	2.8
427.24686	100.0
427.30386	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	427.2471
Annotation	Graviphane
Peak:m/z	Relative Intensity
59.01387	62.6
60.43828	2.5
60.61505	2.5
61.98840	23.9
68.59770	2.5
68.95301	2.5
69.46722	2.8
70.04846	2.6
71.01375	14.5
73.02941	23.9
83.01392	3.3
83.05018	6.6
83.65534	2.5
96.95996	5.0
101.02430	16.9
113.02444	6.0
118.56345	2.9
137.64081	2.6
141.24248	2.8
142.48999	3.3
165.43556	2.8
316.20895	3.3
327.94138	2.7
427.24783	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	427.2467
Annotation	Graviphane
Peak:m/z	Relative Intensity
56.94081	2.3
59.01379	34.5
61.98833	100.0
65.89487	2.4
71.01386	4.5
72.99316	3.2
73.02918	2.7
74.99088	3.5
86.02573	2.4
95.22895	2.7
96.95978	4.8
101.02431	3.3
113.02437	4.3
116.92863	11.4
121.02972	4.4
122.02445	3.7
122.03780	2.5
136.99158	2.7
139.11296	9.9
208.07387	11.4
223.09708	6.1
358.49960	2.6
404.43051	2.8
427.24713	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	427.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99684	1.1
59.01385	100.0
61.98829	2.6
68.44469	1.1
235.17014	1.5
252.18602	1.2
275.20160	5.1
293.21310	1.8
295.28036	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	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40442	0.2
59.01382	100.0
96.87648	0.3
116.92843	0.3
189.09320	0.3
196.14009	0.3
411.64066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84245	0.5
54.59303	0.5
59.01390	100.0
59.72630	0.4
61.98832	1.4
64.79765	0.7
66.91441	0.5
73.33741	0.5
92.29465	0.6
99.37688	0.5
114.38883	0.6
116.92838	2.7
125.38316	0.5
146.95132	0.6
151.36115	0.6
158.21507	0.6
177.40775	0.6
293.21228	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	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82850	0.3
55.96833	0.3
59.01384	100.0
61.98828	1.3
65.87519	0.3
68.99568	3.8
77.59027	0.3
79.75111	0.3
84.34313	0.2
89.02473	0.5
91.04026	1.6
112.98555	3.1
141.83144	0.3
144.87567	0.3
177.42805	0.3
195.13937	0.5
275.20294	1.1
293.21228	10.9
355.20938	0.6
427.19284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97332	0.2
50.97575	0.2
59.01389	100.0
60.01719	0.2
61.62157	0.3
61.98847	0.3
62.08113	0.3
68.99586	1.1
73.02930	0.3
73.21069	0.2
91.04028	0.4
96.96023	1.1
108.34280	0.2
112.98590	1.2
116.92872	0.6
118.92648	0.3
131.06227	0.2
197.52861	0.3
226.79091	0.3
235.17026	2.5
255.17406	0.2
259.72125	0.3
275.20120	5.0
293.21326	3.9
355.21005	0.6
427.19641	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	57.1
61.98827	10.7
71.01374	35.0
71.66152	6.3
96.96001	14.0
108.06841	8.3
111.97288	8.2
115.00388	9.0
116.92792	8.3
120.93169	7.4
136.27112	8.0
203.32144	7.8
223.17073	37.0
276.09308	8.0
307.04919	8.1
311.22403	100.0
372.22812	8.6
381.15363	9.1
393.34668	8.4
427.27484	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31064	17.2
52.38496	16.4
54.82289	31.7
56.93185	16.7
59.01370	100.0
96.95978	26.4
108.62067	24.0
139.04042	21.2
151.91719	20.4
178.91142	23.0
215.26520	23.3
221.15460	25.1
285.54593	26.8
334.14438	21.0
373.35156	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	0.2
59.01385	4.4
61.98828	12.2
62.96674	0.2
71.01374	4.6
73.02925	0.4
75.81720	0.3
78.03481	0.3
89.02412	0.5
90.84193	0.3
92.66065	0.3
96.70170	0.3
101.02421	1.7
108.04569	2.2
113.02443	0.5
116.92836	0.5
119.03447	0.4
122.02462	100.0
123.02829	0.9
133.80098	0.2
136.04022	66.7
137.04408	0.3
143.45694	0.3
148.04091	0.4
158.22398	0.3
159.43729	0.2
161.06088	0.2
164.03520	7.6
190.05276	0.3
194.04579	0.6
224.05682	1.7
232.28152	0.3
274.09256	0.3
280.56686	0.3
377.83948	0.3
427.24811	0.4
428.15628	28.6
429.15533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.3
61.98837	100.0
71.01372	2.3
72.99334	0.3
75.00874	0.8
78.95970	0.3
85.02974	0.7
87.00896	0.4
89.02450	2.0
96.96006	0.4
101.02464	0.4
113.02473	0.6
116.05068	1.5
119.05008	0.4
122.02571	0.5
142.06636	14.9
142.07697	0.7
158.06151	2.6
167.03517	0.4
186.05595	8.1
204.06673	5.0
366.11984	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	429.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51395	0.4
71.79874	0.5
72.00909	11.2
74.02467	21.7
101.27985	0.7
114.16030	0.5
116.05058	71.0
129.05833	0.8
130.05705	0.8
130.06618	18.3
142.06619	21.4
157.07703	3.1
159.09274	15.5
161.04793	1.2
171.61861	0.5
186.05617	3.5
203.08281	100.0
204.08571	0.6
225.06476	60.9
226.06851	0.8
288.35852	0.8
429.15463	33.9
430.15292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
70.21143	0.4
72.00906	12.5
74.02465	19.9
116.05051	64.3
117.05355	0.5
121.09064	0.5
129.05844	0.9
130.06606	18.2
142.06615	17.7
148.38118	0.5
157.07721	3.1
159.09259	14.8
161.04802	2.0
186.05574	2.5
203.08272	100.0
225.06454	61.5
226.06737	0.6
246.77875	0.4
330.51529	0.6
379.55957	0.5
429.15433	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61934	1.2
55.01879	1.6
58.00602	1.4
59.01382	100.0
61.27658	1.4
61.98842	1.3
69.45324	1.1
71.01379	36.4
72.99313	2.8
73.02940	2.6
74.41225	1.1
85.02946	9.1
89.02439	40.0
99.04502	7.6
100.13015	1.4
101.02438	18.0
112.51858	1.3
113.02451	10.9
116.92805	1.5
119.03488	14.5
119.74250	1.3
122.31136	1.5
143.03447	1.9
150.06859	1.5
161.04570	2.1
161.13368	9.9
162.57300	1.5
172.15024	1.5
179.05623	3.3
190.70082	1.5
199.06677	1.4
205.12297	26.7
214.70053	1.4
233.13734	1.4
249.11295	27.2
322.18811	1.6
429.17950	1.6
429.26129	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02052	0.2
55.01889	0.2
55.52496	0.2
57.65693	0.2
59.01365	0.3
67.47216	0.2
80.03901	0.2
82.48239	0.2
93.16589	0.2
96.43492	0.2
99.00873	1.6
99.92578	6.4
100.93351	12.1
107.05030	2.2
109.06582	3.5
110.71213	0.2
115.92066	100.0
116.46443	0.2
116.92075	1.6
116.92854	6.6
132.92375	0.4
159.08313	0.2
172.95465	3.8
221.03970	0.2
255.23320	1.2
259.20743	0.8
261.22247	0.4
277.25366	1.1
279.23553	0.3
355.15894	0.4
357.28125	0.4
362.96143	0.3
367.30197	0.4
369.27823	0.3
370.28799	1.3
381.17596	0.5
385.31158	7.1
411.18353	0.3
424.52921	0.2
429.19617	5.2
429.30081	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	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03456	0.8
59.01385	100.0
61.98853	0.4
64.90484	0.4
68.65163	0.4
71.01377	9.6
71.01707	0.6
72.99327	0.5
73.02950	2.5
75.00880	0.5
83.01375	1.0
85.02953	4.0
87.00848	0.8
87.75681	0.4
89.02450	4.8
94.91827	0.5
95.01353	0.7
101.02441	6.0
113.02428	3.7
119.03505	1.7
149.06236	0.5
156.61414	0.5
159.02951	0.5
161.04628	2.0
161.09740	0.5
179.05591	0.7
223.13493	1.9
267.12482	0.5
285.46939	0.5
387.20367	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	429.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81378	0.1
54.83070	0.1
56.80091	0.1
59.01386	100.0
61.98831	0.7
77.22466	0.1
78.77268	0.1
88.21873	0.1
91.04018	1.0
92.66254	0.2
96.30167	0.2
106.84200	0.1
116.14706	0.1
120.80315	0.2
155.23415	0.2
195.14034	0.7
277.21661	1.3
295.22812	10.2
296.23471	0.2
445.29453	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49359	0.3
59.01382	100.0
60.01733	0.5
61.98830	8.5
66.84774	0.3
74.77573	0.3
77.44379	0.3
82.31047	0.3
87.88664	0.3
90.93345	1.5
92.92820	0.7
114.93392	0.6
116.92825	0.5
277.21667	0.4
295.22757	9.8
295.25919	0.4
401.74887	0.3
448.13141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.00500	0.2
61.98846	0.3
87.00935	0.2
91.04033	0.8
92.12357	0.2
114.11266	0.2
126.97672	0.2
195.13989	1.4
223.61444	0.2
243.67906	0.2
277.21848	1.1
286.10178	0.2
295.22797	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	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83002	0.4
59.01383	100.0
60.01705	0.5
61.98829	8.1
67.09744	0.3
69.80522	0.4
78.13313	0.4
92.11773	0.5
108.83353	0.4
112.98585	0.5
151.25911	0.4
171.10278	0.4
194.74870	0.4
220.55508	0.4
247.79553	0.4
277.21817	1.8
295.22760	6.6
316.69913	0.4
398.12167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73194	0.1
59.01384	100.0
61.98840	0.4
70.29388	0.1
157.53027	0.2
331.29907	0.2
347.08322	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98633	0.3
59.01392	100.0
60.01706	0.3
61.84085	0.2
61.91876	0.3
61.98845	0.3
71.51823	0.3
71.98549	0.3
72.18569	0.3
76.09362	0.3
88.08092	0.3
91.65956	0.3
113.35934	0.3
121.31922	0.3
150.69948	0.3
191.36861	0.3
195.58357	0.3
367.18219	0.6
369.19504	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	429.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74553	0.4
54.82959	0.4
59.01395	100.0
61.98848	0.9
78.11983	0.4
95.23267	0.5
112.75269	0.5
114.39600	0.5
131.36313	0.5
163.70821	0.5
277.28897	0.5
295.23019	1.9
369.15125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
59.60225	0.2
61.98820	0.3
72.99301	0.9
73.02951	0.4
74.78493	0.2
75.00869	100.0
76.01199	0.2
93.00945	0.2
111.04908	0.2
118.88753	0.2
128.55832	0.2
134.07654	0.2
157.95651	0.2
237.83780	0.2
241.24422	0.2
281.24991	0.4
313.11780	0.2
322.33603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65735	0.3
59.01380	0.7
72.99280	0.6
73.02955	0.7
75.00865	100.0
85.87408	0.3
92.45636	0.3
164.24380	0.4
385.36340	0.4
411.29025	0.4
425.34308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3008
Annotation	7alpha-Hydroxy-3-oxo-4-cholestenoate
Peak:m/z	Relative Intensity
53.84536	0.5
54.82497	0.6
57.03452	1.0
59.01137	0.7
59.01383	9.1
69.03439	1.1
70.22903	0.5
71.01373	4.1
73.02923	1.1
78.95892	1.1
81.03422	0.7
82.58749	0.6
86.27605	0.6
87.00899	0.6
89.02428	4.5
93.03423	0.7
95.05014	1.0
97.06518	0.6
99.92573	4.3
100.92747	1.0
100.93340	7.0
107.05023	21.2
109.06586	28.6
110.85268	0.7
115.92066	100.0
116.92065	3.6
116.92833	9.0
121.06577	1.2
135.08145	1.3
153.77448	0.8
159.08145	0.8
172.95532	3.5
219.41684	0.7
259.20657	10.1
261.22244	6.1
275.23724	5.5
277.25351	8.3
279.23309	7.1
280.23572	0.8
313.29193	0.8
357.28085	6.5
367.25952	0.7
367.29941	5.6
369.27982	3.1
370.28781	7.6
385.31168	61.5
386.31519	1.0
429.19507	4.6
429.30133	51.5
430.30542	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	430.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17268	0.4
52.85258	0.4
58.50320	0.5
59.01381	4.4
61.98834	100.0
76.72141	0.5
80.89021	0.4
92.92744	0.6
99.68563	0.5
116.92837	8.4
126.17126	0.5
137.09732	0.4
177.69930	0.5
200.57747	0.5
334.20798	0.5
376.29166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
61.98834	100.0
69.14638	0.2
69.90727	0.3
72.77737	0.2
73.28091	0.3
76.57629	0.2
87.00887	0.3
116.92850	2.8
191.68228	0.3
236.22119	0.3
278.04401	0.3
366.73135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80048	0.3
61.98830	0.6
68.71176	0.5
76.66965	0.5
78.95890	2.3
92.12365	0.4
97.60361	0.4
116.92847	0.5
118.83225	0.4
128.10802	0.5
130.08723	100.0
350.34445	3.7
394.33289	73.4
402.23917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.5
61.98837	1.3
65.00326	0.8
71.01384	0.7
73.02950	0.4
75.00844	0.4
77.03955	4.3
77.22729	0.4
79.01898	2.9
85.02988	0.4
89.02456	0.5
93.03446	2.5
95.01357	0.3
97.02927	0.4
101.02452	0.4
101.94030	0.3
105.03464	1.2
107.01374	0.5
113.02465	0.4
116.92837	0.6
117.03445	17.2
119.05013	2.1
121.02962	3.5
133.02962	0.7
135.04512	2.0
141.00288	0.3
145.02878	0.5
147.04503	0.5
149.02440	1.5
151.00362	0.5
155.05019	0.4
159.04544	3.7
161.02432	8.1
163.00369	2.4
163.03998	3.2
163.29338	0.4
165.01939	3.4
169.06570	0.6
171.04529	0.4
173.06039	0.5
175.00348	0.5
175.04062	0.7
177.01996	0.6
181.05174	0.4
181.06694	0.5
182.03822	0.5
183.04529	2.6
183.08200	2.0
191.03554	0.4
195.08229	0.6
196.05293	1.4
197.06107	2.0
209.06133	0.4
210.06877	0.4
211.07579	1.8
224.04774	1.4
225.05533	0.8
227.03403	0.4
237.05559	0.6
238.06488	0.4
239.07169	4.5
240.04198	0.5
253.05026	2.5
254.05846	0.7
255.06505	0.8
256.03851	0.4
268.03799	4.0
269.01901	0.6
269.04559	10.9
279.06647	0.6
281.04538	18.2
282.05289	8.1
283.06116	73.3
284.06528	1.8
293.04617	3.3
295.06107	9.3
308.03220	1.5
309.04123	1.5
311.05630	100.0
312.06055	2.1
314.04373	3.7
323.05643	13.8
325.07410	0.6
339.05099	0.5
339.11603	0.4
341.06680	36.3
342.07144	0.6
353.06775	3.2
355.08176	0.5
371.07773	0.4
371.39099	0.3
383.07626	0.4
387.05038	0.5
396.73364	0.4
413.08893	2.9
431.09830	57.3
432.10147	2.0
436.43921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01387	15.5
60.01711	1.2
61.53889	0.6
61.98837	1.2
62.74189	0.6
63.21785	0.6
71.01380	1.3
73.02940	0.7
74.32235	0.6
77.03968	5.5
79.01887	1.3
87.88557	0.7
89.02422	1.1
93.03435	3.9
101.02404	2.8
101.65287	0.8
105.03490	1.3
116.92859	5.2
117.03449	22.2
119.05010	3.0
121.02940	5.6
135.04539	5.2
149.02423	3.1
159.04517	4.7
160.78226	0.7
161.02443	7.2
163.03995	8.1
165.01912	2.8
173.02440	0.8
178.48824	0.7
191.03477	3.0
197.06001	1.5
203.03421	1.6
215.07170	1.7
224.04869	1.0
225.05707	1.1
239.07175	3.4
253.05002	0.9
268.03815	5.4
269.04468	7.2
281.04584	6.1
282.05334	3.5
283.06140	81.1
284.06381	1.0
293.04614	4.8
295.06152	1.6
311.05634	100.0
312.05942	3.1
315.07083	0.9
323.05704	9.5
341.06717	14.3
431.09842	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94074	0.4
55.01882	1.0
57.03454	2.2
58.00618	0.6
59.01393	28.0
61.98816	0.5
63.27485	0.5
66.73776	0.4
67.74542	0.5
69.03452	0.9
71.01385	18.7
72.99313	0.9
73.02951	5.5
73.65939	0.5
81.03419	0.5
82.53699	0.5
83.01393	2.7
85.02950	8.7
87.04507	0.9
87.99767	0.5
89.02442	9.4
92.36220	0.6
95.01358	2.2
95.05019	0.7
99.00858	0.7
101.02438	8.1
107.05045	0.8
108.02210	0.7
109.02942	2.3
109.06605	1.1
113.02449	5.6
113.73745	0.6
115.67072	0.5
119.03476	2.0
122.03743	2.0
123.04482	0.7
124.05277	3.8
125.06074	2.3
133.06589	1.0
134.34006	0.5
137.06079	3.1
138.03217	0.6
138.06866	6.9
139.07645	17.9
147.08147	1.0
149.06122	1.1
149.09705	14.0
151.06514	0.9
151.07645	17.0
159.08112	0.9
161.04742	0.6
161.06042	0.9
163.44231	0.4
164.08421	5.9
165.09195	3.9
170.82048	0.6
174.06860	0.7
177.09213	7.7
182.05786	1.0
189.09203	9.4
207.10265	25.8
302.52676	0.5
364.68906	0.5
431.15607	100.0
432.16025	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
57.03443	1.2
57.04725	0.6
58.00586	0.6
59.01383	27.2
62.48995	0.5
63.99306	0.5
69.03436	2.3
71.01379	19.8
72.99308	0.6
73.02942	7.0
80.64713	0.5
83.01372	2.9
85.02940	7.5
89.02431	8.9
90.38492	0.5
95.01366	0.9
95.05031	0.6
97.02918	0.7
99.00871	0.7
101.02435	8.9
107.05024	1.1
109.02924	2.6
109.06571	2.8
111.04530	0.8
111.42835	0.5
113.02443	5.7
117.97306	0.9
119.03516	2.1
122.03723	1.2
123.04499	0.7
124.05265	4.6
125.06082	2.3
133.06596	0.9
137.06084	3.7
138.03217	0.9
138.06851	8.4
139.07634	18.9
147.08153	1.1
149.06071	1.1
149.09711	16.6
151.06523	0.9
151.07640	17.4
159.08134	1.1
161.04573	0.7
161.06041	2.5
164.08423	6.5
165.09207	2.8
177.09206	9.5
188.81129	0.5
189.09219	9.4
191.07094	0.8
207.10275	26.2
221.08151	0.8
431.15607	100.0
432.16010	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	431.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
56.70077	0.6
57.03448	1.3
58.00592	0.8
59.01387	25.1
63.31838	0.6
64.78152	0.6
69.03457	1.1
69.57515	0.7
71.01385	19.4
72.99300	0.9
73.02943	6.7
74.96369	0.6
75.21671	0.6
83.01394	3.2
85.02948	8.1
89.02444	8.8
92.59295	0.6
95.01363	1.4
95.13602	0.6
99.00867	0.8
99.04491	2.9
101.02439	8.7
107.05031	1.0
107.29459	0.7
108.02159	1.5
109.02953	3.2
112.39974	0.6
113.02421	5.6
119.03472	1.7
122.03718	2.7
123.04492	0.7
124.05282	3.0
125.02454	0.6
125.06061	1.2
133.06564	1.4
133.81880	0.7
137.06024	1.6
138.03244	0.8
138.06845	8.3
139.07649	16.8
147.08142	0.8
149.06128	3.1
149.09717	15.2
151.07645	18.5
151.08760	1.3
152.01103	0.8
159.08142	1.1
161.04581	0.9
161.06023	1.4
164.08409	6.4
165.09186	3.6
167.03542	1.0
177.09219	7.3
182.05890	1.2
183.34454	0.7
189.09207	10.4
207.10277	23.1
225.11317	0.9
343.98349	0.7
349.11377	2.6
431.15625	100.0
432.16043	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99965	0.4
53.42341	0.4
54.43131	0.4
55.01885	1.9
57.03436	2.0
59.01388	24.0
69.03456	0.8
71.01382	16.7
73.02944	6.7
74.97610	0.5
79.13530	0.4
83.01392	2.6
85.02948	8.6
86.14391	0.4
87.04522	0.7
89.02026	0.4
89.02443	6.9
95.01380	2.4
97.02935	0.6
99.00856	0.5
101.02432	10.3
107.05026	1.2
108.02146	0.8
109.02964	1.2
109.06612	1.7
111.04475	0.5
113.02445	5.9
117.97319	0.6
119.03481	1.2
122.03733	1.2
123.04556	0.6
124.05267	4.1
125.06072	2.1
127.90153	0.6
133.06601	1.2
137.06110	3.8
138.03235	0.8
138.06851	7.8
139.07651	16.7
144.05853	0.5
147.08154	2.1
149.06059	1.2
149.09720	15.5
151.07655	14.7
159.08147	0.7
161.04688	0.5
161.06091	2.1
164.08405	5.2
165.09222	4.8
173.06062	0.8
177.09210	8.8
182.05830	1.2
189.09230	10.0
207.10283	26.0
225.11180	0.6
371.41116	0.5
431.15637	100.0
432.16025	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
61.98834	9.3
73.02961	0.7
92.92870	0.7
94.92510	1.8
99.00870	0.7
99.92577	13.2
115.90813	0.3
116.92853	100.0
117.01948	1.6
117.92871	1.9
121.02924	0.6
121.59673	0.3
129.09232	0.5
129.66998	0.4
139.16051	0.3
152.99533	0.5
183.13943	0.6
275.05814	0.5
313.23889	1.4
371.18811	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2205
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
59.01394	12.5
60.01724	1.1
61.01813	0.5
61.98574	0.5
61.98842	6.6
78.95905	82.9
96.96964	6.6
131.94458	0.4
150.98010	2.1
152.99586	100.0
164.11018	0.5
165.63371	0.4
171.00684	1.7
177.53754	0.5
238.38260	0.6
277.21869	0.5
431.22012	11.6
431.31274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73056	1.2
51.04224	1.5
54.82783	1.3
57.03469	10.8
59.01394	81.5
61.98794	1.3
70.74503	1.3
71.05035	1.7
73.02946	3.2
75.00868	1.5
83.01353	1.4
83.05057	5.3
85.02961	1.7
87.04505	1.5
88.44370	1.4
95.05009	2.8
97.06588	13.8
109.06600	1.6
120.56838	1.4
123.08144	11.8
125.09712	100.0
127.11284	3.4
131.93495	1.4
143.10692	1.8
169.08923	1.7
171.13820	2.5
183.15237	1.5
187.09763	55.9
192.90163	1.5
201.14937	2.8
227.16513	8.8
229.18056	2.5
249.18597	10.3
253.18066	2.1
261.13446	14.4
267.19586	7.2
275.20078	2.5
293.21292	6.1
311.22171	3.3
371.24396	23.4
377.89679	1.7
431.22830	41.4
432.23160	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	431.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98912	0.5
59.01385	100.0
61.98838	0.9
78.95894	0.5
82.63933	0.5
92.12408	1.1
93.12083	0.4
116.92864	0.8
152.99623	0.6
167.73131	0.5
297.24527	0.8
390.73984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98834	1.2
81.00710	0.5
94.42653	0.6
114.39994	0.5
152.99669	0.8
158.44394	0.5
158.45982	0.5
185.50470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75720	0.4
59.01392	0.9
59.41936	0.4
59.59866	0.4
60.64284	0.4
61.98832	100.0
62.67177	0.4
75.28420	0.4
78.95903	0.8
105.31408	0.5
116.92806	0.4
130.08743	0.5
158.52095	0.5
187.48248	0.4
269.47900	0.4
384.70764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98360	0.5
59.01379	5.7
60.01710	0.6
61.98832	100.0
62.53546	0.4
78.95897	4.8
116.92863	1.0
152.99588	6.8
179.39470	0.5
225.00710	0.5
274.73724	0.5
331.44318	0.5
357.01404	0.6
433.23373	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.3
61.98832	100.0
69.87276	0.2
71.73875	0.2
78.95901	2.6
79.66254	0.2
79.95742	0.2
96.96012	0.7
96.96973	0.3
98.24058	0.2
100.65085	0.2
116.92848	0.3
120.21148	0.2
147.83752	0.2
152.99565	3.5
153.99962	0.4
165.00122	0.2
189.63733	0.2
198.11972	0.2
226.57741	0.2
338.22220	0.2
432.28442	0.7
441.97296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83945	0.1
51.10340	0.1
54.82801	0.1
59.01383	2.2
60.01725	0.2
61.98834	100.0
78.95898	3.6
96.96038	0.3
96.96924	0.2
110.01677	0.2
144.35614	0.1
145.79947	0.1
152.99586	4.6
153.99924	0.3
274.42633	0.2
304.72632	0.2
312.92474	0.2
355.64560	0.2
398.90244	0.2
408.69473	0.2
418.47403	0.2
432.22156	0.2
438.53687	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35867	0.2
59.01388	2.4
61.98838	100.0
72.55446	0.3
78.95902	6.7
86.80108	0.3
96.96975	0.5
109.50702	0.3
110.20114	0.3
115.71076	0.3
116.92873	1.3
124.66283	0.3
152.99597	7.4
153.00758	0.4
153.99971	1.2
221.67044	0.3
292.10541	0.3
432.22507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80228	0.5
57.03450	2.4
59.01383	19.9
61.98830	1.1
69.03461	1.2
71.01372	14.6
72.99306	4.4
73.02948	1.2
75.00861	13.1
78.26604	0.5
80.91632	0.6
80.97930	0.5
85.02948	18.0
86.65668	0.6
87.00882	6.3
89.02454	5.0
95.01371	3.4
99.00869	7.5
101.02393	0.6
101.06070	100.0
103.00356	1.5
113.02449	17.0
115.00343	1.1
117.01920	2.9
126.98923	0.7
129.01903	1.5
130.08725	3.9
133.01414	0.9
149.06056	0.7
149.09665	4.5
158.34280	0.7
158.99330	0.6
163.34671	0.6
170.34972	0.7
172.09807	4.1
175.02431	1.2
183.80527	0.7
231.05232	0.9
249.06148	20.2
250.01436	0.7
253.10814	1.2
291.10962	0.7
331.05130	0.7
333.11777	1.1
351.12985	78.7
352.13330	1.2
373.10980	8.3
406.88391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91128	0.2
52.62887	0.2
57.30688	0.2
59.90506	0.3
68.32330	0.3
77.98368	0.2
78.95898	76.7
96.96954	6.5
98.65942	0.3
112.99998	0.3
132.53021	0.3
141.82860	0.3
150.74495	0.3
150.98007	2.2
152.99583	100.0
171.00668	2.5
217.16254	0.3
279.23233	2.2
294.78351	0.3
433.23621	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	433.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32447	0.2
51.94176	0.2
59.01366	0.2
63.79935	0.2
64.69064	0.2
78.95895	69.5
96.96951	7.1
102.71873	0.2
143.38075	0.2
150.43069	0.2
150.98030	2.3
152.99579	100.0
154.00006	0.2
171.00615	2.3
171.17259	0.2
220.80940	0.2
279.23312	1.7
335.85767	0.3
433.23602	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	433.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68362	0.4
57.03450	2.8
59.01383	100.0
61.98842	0.5
69.03467	0.4
71.01357	0.6
71.04988	0.5
73.02946	4.8
78.30113	0.5
85.02915	1.0
87.04507	0.5
95.05018	1.1
97.06565	3.4
98.09102	0.4
99.89075	0.5
111.08176	0.7
113.09702	0.7
123.08147	1.0
127.11269	5.1
136.52495	0.5
137.09723	3.0
141.09204	1.1
144.77107	0.6
171.13919	3.8
200.14221	2.2
201.14966	0.7
229.18120	4.0
251.20154	0.6
267.19910	0.5
269.21191	8.6
277.21671	2.0
295.22800	2.6
307.22931	2.6
313.23837	1.3
337.23972	0.9
343.24936	1.1
355.24741	2.1
365.27582	0.6
373.25998	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.40948	1.3
65.39265	1.4
73.02952	6.1
75.00866	2.9
78.66943	1.5
82.62066	1.6
84.65989	1.3
89.95388	1.5
97.06587	6.2
114.75976	1.5
120.64208	1.8
123.08026	1.4
129.30161	1.6
141.12953	5.1
170.73381	1.4
171.13931	6.1
200.14238	1.6
229.18047	3.3
269.21216	7.7
275.80139	1.6
295.22687	2.3
303.13751	1.9
313.23837	2.5
321.78604	1.9
373.25989	25.7
373.30392	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	433.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.4
58.00606	0.6
59.01389	100.0
60.06238	0.3
61.98826	0.4
69.03481	0.5
71.01379	1.9
71.05023	1.6
73.02943	5.2
83.05031	0.9
85.02966	0.8
85.06576	0.7
86.09982	0.4
87.04527	1.7
95.05018	0.8
97.06590	2.8
99.04536	0.7
101.02456	0.6
101.06057	0.6
104.76064	0.3
109.06586	0.7
111.08174	0.9
115.07565	0.4
121.10214	0.4
123.08178	0.9
125.09722	0.4
126.50630	0.4
127.11304	3.4
135.08247	0.5
137.09729	3.6
139.07697	0.7
147.76430	0.4
151.11328	0.6
153.09253	1.8
155.10762	0.8
165.09158	0.6
171.13895	3.3
173.11929	0.5
187.13512	0.6
197.11827	0.4
199.13480	0.8
200.14336	0.6
201.15041	2.6
203.12933	0.6
211.13486	0.8
213.15161	0.4
215.12912	0.6
227.16443	0.8
229.18089	3.6
245.17685	2.0
269.21271	5.4
277.21793	1.4
289.20221	0.9
295.22913	1.7
307.22717	1.4
311.22610	0.5
313.24017	1.9
315.21719	4.0
319.23050	0.5
325.23697	0.5
337.24078	0.8
343.25079	0.8
355.24988	3.3
373.25949	26.0
416.21826	0.4
433.24881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94160	0.6
55.01891	1.1
59.01384	1.5
59.86118	0.7
61.98840	0.9
66.78465	0.7
69.51939	0.7
71.01373	0.7
78.95892	3.2
92.72465	0.8
125.87353	1.1
127.86961	0.8
141.98537	0.8
152.99600	4.7
159.85983	1.4
175.82321	0.8
184.06317	0.7
220.35640	0.8
223.20760	3.5
225.22269	52.5
226.22572	0.8
241.10527	1.0
253.21887	0.8
271.22809	100.0
272.23199	3.4
303.93835	0.7
376.91287	0.9
413.94217	0.8
433.33154	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	434.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.7
58.11882	0.8
59.01391	16.2
61.98837	100.0
66.28209	0.8
68.15325	0.8
69.03448	1.0
71.01386	11.0
72.99294	1.8
73.02919	0.9
75.00849	11.0
76.69486	0.9
81.03408	0.9
85.02946	13.5
87.00882	3.6
89.02431	1.8
95.01377	3.8
97.45835	0.8
99.00871	7.8
101.02405	1.8
101.23407	0.9
113.02434	10.5
115.00379	1.5
117.01917	3.3
121.02940	69.8
127.11717	1.2
130.08675	1.0
137.46486	0.8
147.08099	1.2
165.09142	1.2
172.09889	1.7
175.02495	1.3
191.10867	2.0
231.05038	2.1
249.06140	33.2
253.10823	6.3
254.10956	1.0
275.92218	1.0
349.14011	1.0
371.09851	79.9
432.00436	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.5
59.01378	4.1
61.98825	0.5
71.01385	1.8
72.99306	0.4
75.00871	1.6
78.95904	0.3
83.04965	0.4
84.59718	0.2
85.02949	2.2
87.00856	0.4
89.02387	0.3
95.01374	0.4
96.95991	1.6
99.00869	2.0
99.92567	11.9
100.92657	0.3
100.93336	1.6
102.92824	0.2
109.02882	0.2
113.02448	1.3
115.92051	19.7
116.92835	100.0
117.01933	0.3
117.92867	2.4
123.04256	0.2
125.09714	1.0
139.11282	1.1
140.92847	0.5
142.94374	0.3
147.99089	0.2
149.02374	0.3
184.92000	0.3
185.11810	6.8
199.33870	0.2
199.91072	0.2
205.15913	0.2
206.07091	0.3
249.06129	1.3
252.67035	0.3
287.68741	0.2
313.03729	0.5
327.12436	0.4
331.04849	2.1
349.06009	2.2
373.06067	1.0
375.27527	0.5
391.06918	3.7
399.03955	1.0
435.06067	9.6
435.13043	1.8
435.18411	6.6
445.91559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.143
Annotation	Ugonin O
Peak:m/z	Relative Intensity
51.26628	2.6
51.75993	2.7
59.01387	44.0
59.92332	2.9
60.49130	2.9
61.98827	42.1
63.33428	2.8
71.01380	19.3
73.02930	4.8
81.03461	5.0
84.14861	3.4
89.02436	20.8
92.12357	8.1
96.96025	6.7
98.81395	3.9
101.02416	6.1
113.02422	4.2
119.03491	6.4
123.00896	3.9
125.02430	7.0
125.22260	3.7
130.08704	5.9
151.00398	15.0
159.83295	3.6
174.93901	4.1
179.05614	4.8
201.09213	7.1
219.10353	6.6
286.08395	7.7
301.11066	4.1
399.16516	62.8
424.50775	4.7
435.14276	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	435.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77274	0.3
59.01382	0.3
61.98837	0.7
66.54991	0.3
78.95893	74.0
80.76318	0.4
96.96967	6.8
150.97998	2.4
152.99577	100.0
171.00627	3.4
173.62958	0.4
201.61394	0.4
225.13817	0.3
267.23169	1.4
271.22705	0.7
281.24805	2.4
373.55862	0.4
435.25131	15.9
436.25421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85049	0.2
54.82298	0.3
55.99077	0.2
59.01385	0.7
61.98834	3.7
68.91716	0.3
73.65318	0.3
78.95896	79.6
80.83369	0.3
85.88905	0.3
90.70673	0.3
96.96948	7.0
116.92850	8.6
116.97266	0.6
120.17613	0.3
133.87193	0.3
146.07855	0.3
150.98032	2.1
152.99585	100.0
153.99959	0.5
154.99922	0.3
167.22049	0.3
171.00635	2.4
171.44725	0.3
257.36597	0.4
281.24820	3.0
300.90738	0.3
324.24353	0.4
353.18542	0.4
435.25174	16.9
436.25494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37373	0.5
50.38692	0.7
57.03454	4.5
59.01386	100.0
61.98819	4.1
71.01362	3.2
73.02946	4.2
78.95902	0.7
85.02940	3.0
87.04491	2.4
89.02428	0.7
96.95974	2.5
99.04513	0.8
103.76256	0.6
113.02412	0.6
116.92857	2.7
121.02930	0.7
128.03598	0.6
137.09700	1.5
139.11263	1.0
143.10767	3.2
149.09689	0.8
164.00612	0.6
167.10588	0.8
179.95575	0.6
185.01889	0.6
201.14966	3.6
245.17616	0.9
292.60715	0.6
357.26340	1.2
375.27570	37.7
414.85571	0.8
418.32932	0.7
435.22327	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	435.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82789	0.5
57.03442	0.9
57.34475	0.4
58.00579	0.5
59.01383	100.0
61.98847	1.7
62.08133	0.5
71.01376	4.4
71.05021	1.2
73.02942	10.7
75.00864	2.7
85.02966	1.0
92.12431	0.6
97.06599	2.0
99.73814	0.6
103.04028	2.1
125.09753	0.9
125.54085	0.5
137.09712	4.4
141.12856	4.9
143.10771	0.7
145.30177	0.5
155.10710	0.6
171.13908	4.5
173.11841	1.0
199.13522	0.9
201.14958	21.2
217.14424	1.7
229.18051	0.5
271.22824	4.1
313.24115	1.0
315.25577	2.6
357.26855	0.7
375.27533	38.4
393.24887	0.7
435.26450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12112	0.2
54.26478	0.3
57.03454	3.6
58.00596	0.4
59.01384	100.0
61.98832	1.3
66.40031	0.2
69.03456	0.3
71.01379	1.5
71.05010	1.5
73.02937	4.4
81.03467	0.3
83.05022	0.6
85.02950	2.3
85.06595	1.7
86.38033	0.2
87.04509	4.8
92.11871	0.6
96.96009	1.2
97.06590	1.4
99.04503	0.7
99.08174	0.6
101.02427	0.3
109.06595	0.4
111.08147	0.5
113.09715	0.5
115.07677	1.5
116.92871	1.2
121.10202	0.4
123.08159	0.6
125.09732	0.5
129.09242	0.7
137.09729	3.1
139.11319	0.3
143.10751	3.4
149.09750	0.5
153.12946	0.3
155.10776	0.6
157.12398	0.4
167.10826	0.6
169.12389	0.6
172.83667	0.3
173.11897	0.5
181.12509	0.3
183.13797	0.3
185.11942	0.4
187.13322	2.5
188.01462	0.4
201.14975	3.1
216.13763	0.5
217.14500	0.4
231.15927	0.4
243.08961	1.5
245.17679	1.6
267.44458	0.3
271.22946	0.5
297.24277	0.4
303.21915	0.4
313.24207	0.6
343.25140	0.3
349.15375	0.3
357.26535	6.7
375.27518	47.4
376.28168	0.5
435.12897	0.8
438.33646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78138	0.3
57.03452	2.1
58.00574	0.4
59.01386	100.0
60.01704	0.3
61.98822	3.3
71.01382	6.3
71.05016	0.9
71.73016	0.4
73.02940	5.7
83.05018	0.6
84.36834	0.4
85.02953	2.8
86.40512	0.4
87.00909	0.4
87.04529	0.7
88.51667	0.4
89.02448	1.6
97.72594	0.4
99.08157	0.5
101.02469	2.6
101.06072	0.5
111.08168	0.6
113.02478	0.7
114.12177	0.4
125.09727	0.5
127.11323	0.6
129.09207	0.4
137.08832	0.4
137.09717	3.3
153.09277	1.8
155.10823	0.5
157.12309	3.6
169.12483	0.4
173.11882	0.6
183.13959	1.7
187.13470	0.6
201.91301	0.4
203.98758	0.4
217.14610	1.8
223.06233	0.6
226.65790	0.5
255.19632	1.5
271.22955	0.9
273.20813	2.7
297.24347	0.4
313.23981	0.8
349.18695	0.6
357.26611	0.8
375.27570	28.0
376.28046	0.6
391.20035	0.7
435.26035	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	435.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84216	0.3
56.64187	0.3
57.03456	2.4
58.00591	0.6
59.01391	100.0
61.98827	1.4
68.99580	1.7
69.03442	0.5
71.01382	2.7
73.02599	0.4
73.02955	7.5
97.06561	0.7
103.03999	2.0
111.08152	0.4
112.98550	0.7
112.99249	0.4
119.08646	0.4
125.09730	0.5
127.07658	0.6
127.11257	2.4
137.09706	5.6
143.10742	0.5
155.10774	0.6
157.12347	0.4
171.13849	2.7
172.26299	0.3
173.11858	0.7
201.14964	18.3
217.36609	0.4
271.22723	2.8
297.24646	0.4
313.23920	0.5
375.27533	28.8
429.05396	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82504	0.5
57.03447	1.4
58.03616	0.5
59.01384	100.0
61.98833	2.3
63.15198	0.5
71.01366	1.4
73.02935	3.0
73.81541	0.7
80.64977	0.7
85.02936	1.0
85.06577	1.3
92.11719	0.7
97.51098	0.6
115.07643	2.3
125.09642	0.6
136.58427	0.6
137.09735	2.5
143.10773	1.4
159.63148	0.6
162.68005	0.6
163.12111	0.6
201.14967	3.3
313.23746	1.1
357.26584	1.0
373.04523	0.6
375.22922	1.1
375.27530	24.3
376.28049	0.8
393.25043	0.8
424.69470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.5
61.98838	1.3
64.76710	0.9
67.16645	0.7
77.69449	0.8
78.95898	19.1
102.31312	0.8
121.69624	0.8
140.01167	5.5
152.99593	5.7
173.82307	0.9
196.03802	11.8
211.21188	0.8
214.04814	1.1
239.20183	100.0
240.20593	1.6
286.51062	0.9
406.03879	1.0
436.24759	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98817	4.0
84.39609	0.9
92.65646	0.8
113.34802	0.8
118.17779	0.8
135.15041	0.8
208.11784	1.0
240.07600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1584
Annotation	Ugonin N
Peak:m/z	Relative Intensity
56.61958	3.5
57.03453	4.2
59.01384	21.5
60.26918	3.3
61.98841	7.7
64.04472	3.5
71.01375	8.8
72.54778	3.7
82.95425	4.3
85.02972	6.0
89.02418	4.5
113.02441	4.9
148.91174	4.1
161.04582	5.2
203.10829	9.5
215.91335	4.1
221.11790	23.3
298.03824	4.3
395.18744	4.2
437.15982	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1587
Annotation	Ugonin N
Peak:m/z	Relative Intensity
59.01398	3.4
60.65854	2.0
61.98837	13.8
65.49728	2.5
65.82600	2.7
71.01352	3.1
83.75895	2.4
88.21162	2.3
109.24039	2.3
118.28014	2.1
122.13939	2.7
150.73497	2.5
300.51181	2.8
431.09897	2.6
437.15927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11017	1.3
57.03455	14.3
59.01385	64.6
61.08179	1.1
61.98820	3.2
71.01386	33.4
72.99348	2.2
73.02947	29.0
75.00872	3.4
80.51883	1.4
83.01390	9.4
85.02961	8.3
85.06602	17.1
87.00879	3.0
89.02443	18.5
90.13681	1.3
95.01395	1.4
95.05040	1.4
97.06567	3.0
99.00882	5.3
99.04539	3.2
99.92606	1.5
101.02435	27.1
113.02440	14.4
113.06074	8.9
115.07659	2.0
116.92848	21.6
117.92850	1.9
119.03492	3.3
123.04546	1.8
123.08157	2.1
125.02418	1.5
125.09718	25.8
131.07129	73.8
161.04492	1.9
187.09747	16.9
249.06090	3.0
260.85287	1.4
275.11508	2.1
293.12427	100.0
310.83905	1.4
335.13477	57.7
375.16772	11.7
382.47485	1.6
422.11081	1.7
437.16705	57.3
437.23111	3.5
438.17270	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	437.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03234	1.0
57.03457	17.2
58.00575	1.1
59.01383	58.6
61.98827	1.5
69.03457	1.0
71.01381	26.5
73.02940	20.3
74.99043	1.0
75.00853	1.1
83.01360	4.1
85.02946	4.1
85.06580	21.2
87.00882	1.4
89.02421	15.2
94.13769	1.0
95.01377	1.0
99.00863	1.0
99.04501	6.5
100.77718	0.9
101.02426	24.9
103.33739	0.9
113.02441	9.8
113.06075	6.8
115.07588	1.6
116.92944	1.1
119.03483	6.4
121.02909	7.7
123.04506	1.9
125.02448	1.2
127.07655	1.9
131.07129	83.4
142.18457	1.1
161.04622	1.2
173.08182	1.7
177.36760	1.1
183.02960	1.2
198.41939	1.1
209.04533	2.4
217.60001	1.1
275.11288	4.6
293.12424	100.0
294.13022	1.3
316.14865	1.2
335.13474	42.7
375.16663	6.6
437.10684	2.2
437.16562	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	9.1
59.01110	1.5
59.01385	33.9
61.98835	20.4
68.99798	1.5
71.01384	17.3
71.05017	1.2
72.99290	3.6
75.00868	17.0
82.78197	1.0
83.01404	0.9
83.05018	0.8
85.02949	19.4
87.00880	7.7
89.02439	6.3
93.03432	1.1
95.01369	4.3
99.00883	9.8
101.02419	1.4
103.00375	1.5
113.02444	16.9
115.00343	1.6
116.92816	2.2
117.01949	1.9
126.74050	0.9
129.01898	1.3
129.09174	1.2
141.12856	24.1
147.84741	1.0
169.12415	1.2
175.02397	1.1
178.90654	1.0
185.11784	1.4
187.13400	98.1
205.07159	1.3
231.04955	1.0
249.06143	13.5
267.07169	1.5
376.27899	3.7
377.28809	3.8
437.20209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.0
59.67434	0.2
62.10390	0.2
69.70898	0.3
71.01382	11.2
71.05020	14.9
72.00918	0.6
74.80897	0.2
76.57822	0.2
82.95414	6.7
88.04036	100.0
92.11799	0.3
94.92508	0.4
99.04507	4.0
102.08764	0.3
114.41161	0.3
116.03535	0.5
116.07153	3.0
129.05585	1.4
135.00563	0.3
138.21158	0.3
140.03574	0.7
146.08237	54.8
154.21925	0.3
156.95840	0.3
161.50572	0.3
218.10352	95.1
219.10667	1.6
226.64174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72725	0.2
59.01393	0.7
61.98831	100.0
73.79997	0.2
79.08128	0.1
113.80933	0.2
116.92890	1.1
218.21265	0.2
376.25302	0.8
377.25500	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13386	0.4
51.14906	0.5
57.03440	3.6
58.02966	0.9
59.01381	21.5
59.90320	0.5
61.98819	1.0
65.42027	0.5
81.03447	1.4
83.05032	4.7
83.06123	4.8
85.07695	1.2
93.03432	1.5
95.05008	43.4
95.19570	0.5
97.06554	3.0
107.05021	0.9
111.04456	0.9
129.10310	3.6
133.06593	5.1
149.13287	0.8
150.05588	2.9
154.13014	0.6
157.08513	1.1
157.09810	30.3
209.12955	67.4
210.13261	0.8
221.10924	1.0
221.12953	19.0
227.18106	1.0
243.17601	2.6
245.19107	17.3
286.55249	0.6
328.96228	0.6
346.00812	0.6
359.27051	100.0
360.27246	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	437.312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23605	1.3
57.03433	7.6
57.07391	1.2
59.01138	1.5
59.01383	22.3
71.01368	2.9
73.02948	21.5
83.70042	1.3
85.02943	26.7
85.38155	1.4
87.04502	5.6
97.06553	1.8
99.39950	1.4
103.03959	1.5
106.27716	1.6
111.08125	1.7
125.09727	1.6
137.09683	9.9
141.12840	1.9
155.14413	2.6
169.12312	1.5
185.15410	5.4
197.15459	5.5
213.18517	10.2
241.21883	1.8
271.22958	5.6
297.27606	1.4
299.25879	8.5
315.25485	10.1
359.28049	1.5
377.29092	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	438.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98805	0.3
62.96410	0.3
66.08961	0.3
71.62605	0.3
78.95897	18.7
89.56672	0.3
93.24080	0.3
111.08551	0.3
122.00090	0.6
131.67365	0.3
140.01190	6.5
152.99564	1.9
196.03838	8.4
209.38435	0.3
214.04916	2.1
217.27377	0.4
241.21747	100.0
242.22101	2.2
311.52634	0.4
438.26306	24.2
439.26642	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	438.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.6
61.98833	100.0
63.75465	0.2
73.02956	0.3
74.71449	0.2
83.15124	0.2
97.22874	0.3
99.92577	0.3
116.92854	3.7
162.25888	0.3
193.47427	0.2
197.41231	0.2
200.89140	0.3
205.97224	0.3
221.63109	0.3
226.25395	0.3
359.14972	0.3
377.29163	0.5
378.29620	1.4
447.57373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
61.98833	100.0
62.53597	0.3
63.48132	0.3
85.02945	0.4
89.02439	0.4
94.91212	0.3
148.26273	0.3
154.23793	0.3
187.13409	1.1
188.13802	1.4
210.23720	0.4
210.81647	0.3
233.26505	0.3
438.20618	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	439.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01359	0.3
78.95904	47.8
81.89365	0.2
96.96032	13.8
96.96952	100.0
105.95551	0.2
109.25328	0.2
121.78287	0.2
293.86081	0.2
302.47617	0.3
348.59613	0.2
439.08783	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	0.2
78.95902	47.7
96.96037	13.3
96.96951	100.0
133.79346	0.2
195.05106	0.2
207.60197	0.2
211.59360	0.2
346.92447	0.2
382.43060	0.2
429.60483	0.2
439.08600	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82500	3.9
55.22210	3.6
56.68269	4.2
59.01389	4.7
61.98812	18.9
66.05373	4.1
71.01351	4.3
72.00893	18.4
74.02466	22.2
78.95879	9.6
92.05036	5.1
96.95981	28.8
96.96941	18.2
102.92031	4.0
110.79845	4.6
111.82745	4.0
116.05051	89.6
118.06586	4.6
130.99438	3.8
131.02855	7.3
131.03760	100.0
132.04491	9.2
142.06589	6.3
144.04559	41.3
146.06122	25.2
148.04024	8.8
154.05394	37.3
155.06151	88.7
157.07692	18.2
158.88870	4.2
159.09274	8.0
173.07176	29.5
199.05351	6.5
203.08257	66.5
217.06224	16.2
235.07300	61.6
286.49591	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	439.1742
Annotation	Globuliferin
Peak:m/z	Relative Intensity
52.86505	2.2
57.03431	2.2
57.49784	2.1
59.01394	24.7
61.98838	5.5
71.01376	16.7
72.99308	2.8
78.95883	4.1
88.71198	2.9
89.02438	14.4
96.96027	20.5
96.96975	19.9
101.02465	4.3
112.37997	2.9
113.02442	3.5
123.38101	2.6
134.02466	10.6
162.72076	2.9
179.05553	4.2
209.87518	2.8
221.11823	3.5
234.09790	2.7
439.17416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1738
Annotation	Globuliferin
Peak:m/z	Relative Intensity
53.97116	7.2
57.03476	9.0
57.07306	6.4
59.01388	91.6
61.98824	18.7
71.01362	15.0
73.02953	10.7
75.66653	7.4
82.66367	8.1
85.02926	9.8
89.02423	14.7
96.95970	40.8
96.96920	13.1
101.02438	19.7
102.42609	7.6
113.02409	12.5
122.02442	11.7
128.03519	33.2
134.04713	15.0
143.04610	18.4
150.03201	16.2
151.61017	8.5
158.06079	36.0
165.01976	14.0
165.05527	18.0
168.90617	9.2
182.86778	8.8
195.06680	18.5
202.05112	15.4
214.89264	9.7
272.08765	10.9
295.55325	9.9
306.07736	45.7
382.11526	10.6
439.12302	11.2
439.17648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
57.03452	8.7
58.98685	0.9
59.01379	23.0
61.98816	5.4
69.03452	1.3
71.01378	27.6
72.99289	5.9
73.02929	4.9
75.00861	25.4
76.58378	1.0
83.01360	5.2
84.02074	1.0
85.02457	1.6
85.02943	36.9
87.00852	10.5
89.02429	5.4
95.01369	2.4
96.95968	1.6
97.02917	1.1
99.00864	10.1
101.02433	12.2
104.05007	1.4
108.04572	8.3
113.02438	27.5
116.92832	4.7
125.02312	1.1
129.01894	1.1
131.74501	1.0
132.04578	10.8
138.05617	11.8
145.08694	2.2
147.04602	0.9
175.02423	1.4
176.03531	1.4
180.44859	0.9
182.04636	1.4
182.62234	1.0
204.79988	1.0
263.14883	2.1
283.10883	2.1
327.09784	5.5
401.18311	7.3
403.11511	15.3
421.17184	1.1
439.18188	100.0
440.18500	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2853
Annotation	Grevirobstol B
Peak:m/z	Relative Intensity
61.98806	0.9
64.95124	1.2
69.11360	1.0
76.57700	1.3
81.03415	1.9
87.00237	1.0
90.99009	1.1
92.12399	1.3
99.92545	2.3
114.43349	1.2
122.03695	5.1
123.04546	1.2
135.04500	6.3
149.06131	1.5
170.46785	1.3
353.28568	1.9
355.25937	1.2
361.13312	7.9
369.23541	1.3
369.27853	8.1
379.26505	2.0
395.29453	12.9
397.27505	5.5
439.28540	100.0
440.28729	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	440.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.8
63.76501	0.4
64.34287	0.4
69.55061	0.4
75.00822	0.4
84.64508	0.4
86.50217	0.4
89.44627	0.4
99.92564	13.7
106.54797	0.5
116.07127	0.9
116.92848	100.0
117.01943	0.6
117.92873	1.7
134.09818	0.4
200.74147	0.5
441.30185	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	441.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27634	0.8
59.01382	100.0
65.89464	1.0
71.04980	1.0
78.62560	0.9
97.06573	2.6
117.63287	1.0
121.06553	3.9
125.09687	1.3
185.11823	4.8
209.11731	1.4
211.13449	1.4
235.13371	4.1
289.18054	2.0
307.19089	5.6
468.82965	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85702	0.6
54.11586	0.5
54.57677	0.6
59.01110	1.0
59.01394	26.7
61.98820	0.6
75.00868	0.5
87.00880	100.0
88.00384	1.2
108.19148	0.6
109.06544	0.8
115.86826	0.5
121.06575	2.2
136.05324	5.1
141.01654	0.9
149.06078	28.1
188.41495	0.7
277.21689	6.1
279.23236	0.9
359.22137	4.1
369.31683	0.9
381.27838	1.2
397.31027	3.2
441.30179	20.6
441.35675	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17311	0.4
59.01387	5.1
60.81741	0.4
61.00496	0.3
66.00925	0.5
66.93717	0.4
70.92522	0.4
71.01376	6.0
73.02931	3.0
74.02464	2.5
74.11544	0.4
76.39008	0.5
81.03471	0.4
83.01418	0.4
83.03717	0.4
85.02956	5.7
89.02431	2.2
95.01370	0.5
101.02443	12.1
103.93149	0.4
113.02441	4.0
116.05023	2.2
131.03516	4.4
136.84785	0.5
151.44072	0.5
161.04556	11.5
162.83900	2.1
203.08241	3.0
254.24911	0.4
279.23309	100.0
280.23654	2.4
441.31284	5.4
447.76514	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19857	0.1
51.45167	0.1
59.01395	100.0
67.33800	0.1
70.12605	0.2
92.11726	0.2
116.92888	0.2
130.71620	0.2
153.49382	0.2
165.05692	0.2
166.05312	0.2
242.58925	0.2
262.52408	0.2
314.45050	0.2
439.59399	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62791	0.6
59.01383	100.0
67.25011	0.6
79.52074	0.8
85.44644	0.8
86.04479	0.6
92.12382	1.4
165.05594	0.9
278.16571	0.7
280.60321	0.8
376.17325	0.9
397.98706	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.0
61.98842	100.0
78.71325	0.2
101.70090	0.2
102.72872	0.2
116.07201	1.0
122.49281	0.2
145.27132	0.2
148.05356	0.7
163.11308	0.9
244.04057	0.2
289.75842	0.2
337.21719	1.4
378.30359	0.4
379.30710	0.2
381.28049	9.8
441.36145	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37677	0.8
53.07954	0.9
57.03446	1.5
59.01101	1.2
59.01381	21.4
60.48308	0.9
61.07583	0.9
67.98295	1.0
69.03452	1.4
76.78680	0.9
77.51093	1.0
81.03452	1.4
84.44755	0.8
85.02925	1.3
87.00858	3.9
95.04999	1.4
101.02395	0.9
106.76912	1.0
107.05026	31.5
109.06584	45.1
116.63728	0.9
135.08080	1.5
149.09682	1.6
166.20309	0.9
166.62454	1.2
217.03772	0.9
237.20326	1.0
269.25681	1.0
271.20679	9.1
273.22211	6.0
279.23291	9.4
287.23840	4.0
289.25424	9.0
369.28033	7.3
379.30042	5.5
381.27914	4.2
382.28662	12.6
397.31143	100.0
398.31381	4.3
423.28577	1.5
441.30130	71.6
442.30478	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	441.3015
Annotation	Triptocalline A
Peak:m/z	Relative Intensity
59.01392	22.8
65.83045	0.4
71.27531	0.4
95.05025	1.7
98.29315	0.4
102.62474	0.4
107.05006	2.0
109.06595	3.0
121.02976	3.1
122.03712	2.7
122.63880	0.4
123.04526	3.7
123.08163	0.7
135.04517	6.1
136.04248	1.0
136.05295	24.1
137.02406	0.8
137.06097	6.3
143.11925	4.6
149.06091	9.5
150.06870	5.2
151.03952	2.5
151.07648	51.2
152.04802	0.9
153.05586	1.9
161.06064	0.6
163.04022	8.1
164.04774	7.4
165.05544	8.1
168.04277	0.5
177.05582	9.2
178.06351	13.8
179.07144	11.4
193.08626	0.7
203.07101	0.6
207.10281	1.8
210.04111	0.5
218.64311	0.5
221.08163	2.2
235.09775	1.0
240.10052	0.7
279.23282	2.7
287.16449	0.7
304.16858	0.7
332.13818	0.5
381.34933	3.9
397.31195	1.0
413.30319	0.6
423.29034	0.8
441.30130	100.0
442.30618	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	441.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11020	0.2
59.01386	100.0
67.34465	0.3
71.38387	0.2
101.02401	0.3
107.05024	0.4
109.06584	0.7
136.05280	3.0
137.06078	0.4
143.11908	0.5
147.49640	0.3
149.06070	1.3
150.06784	0.5
151.07620	5.2
155.71547	0.3
164.04831	1.1
165.05579	1.2
170.82062	0.3
177.05594	1.3
178.04959	0.3
178.06383	1.7
179.07133	1.7
195.54732	0.3
199.14972	0.3
199.93083	0.3
227.69182	0.3
260.15543	0.3
279.23358	0.4
284.01175	0.3
363.81924	0.3
381.34784	1.1
397.30841	0.4
441.30096	14.6
442.30557	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	442.2964
Annotation	Yibeissine
Peak:m/z	Relative Intensity
58.02979	5.6
59.01361	1.8
72.00897	5.4
74.02441	1.3
89.02389	1.7
93.03456	9.1
106.04230	1.3
107.05020	11.9
119.05013	25.1
127.65434	1.1
130.41331	1.1
135.03673	1.2
136.07695	2.2
163.03998	26.5
180.06664	78.6
181.07098	1.2
189.09389	1.2
290.24860	1.3
398.30811	10.0
426.30530	1.5
442.29663	100.0
443.30161	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	443.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82970	1.0
57.03446	2.6
58.57787	1.0
59.01103	2.1
59.01381	42.7
60.32682	1.1
61.98830	2.6
62.99881	1.1
63.27322	1.1
63.50665	1.0
68.99815	1.5
71.00988	1.6
71.01376	33.8
72.99305	9.1
73.02914	2.9
75.00868	14.6
82.95430	1.5
83.01379	1.4
84.95110	5.4
85.02935	28.0
87.00857	10.5
89.02429	16.4
89.03973	2.6
92.12393	1.6
93.03439	1.9
95.01381	2.9
96.95998	52.2
99.00871	15.3
101.02432	5.0
111.00797	1.9
113.02438	28.6
115.00373	1.5
117.01891	2.4
117.03411	9.0
119.03506	1.7
122.97525	1.5
129.01888	1.6
134.03732	100.0
135.04509	6.5
137.02396	2.6
138.97049	1.5
145.03009	1.7
149.06078	9.8
150.97105	1.6
160.01703	4.5
161.02458	3.0
163.04059	1.4
175.02580	1.8
175.04005	6.1
179.05594	1.6
193.05067	38.5
195.06636	7.2
249.06123	24.2
252.06479	1.9
267.07175	59.3
407.26523	4.7
425.10333	1.5
443.10828	50.4
443.16269	31.3
443.24396	12.5
444.11929	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	443.135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82144	0.2
59.01383	2.8
66.04940	0.2
68.99230	0.2
69.03449	1.1
83.01329	0.2
85.11723	0.3
89.03956	1.9
90.22948	0.2
92.88969	0.3
93.03493	0.3
105.03468	1.9
106.04254	0.4
117.03445	9.2
119.05024	1.7
121.02926	1.0
132.02156	6.4
133.02950	10.9
134.03728	100.0
135.04559	2.6
136.01682	0.5
137.02420	2.2
139.04001	0.4
147.04517	2.4
148.05307	1.6
149.06070	9.4
150.03189	0.3
151.04076	0.3
153.05595	0.3
159.04518	1.0
160.01651	25.9
160.05273	1.3
161.02437	3.0
161.06111	1.2
175.03990	13.9
177.01955	1.5
178.02713	1.5
179.03525	0.6
190.06441	0.3
191.03569	0.4
193.05051	42.8
194.05373	0.4
195.15152	0.3
207.06677	3.3
233.29596	0.3
234.05319	2.6
235.06076	2.3
249.07666	4.1
252.06427	1.8
267.08694	1.7
277.41089	0.3
428.11133	1.9
443.13501	49.5
444.13748	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17659	0.6
53.51247	0.5
56.40039	0.6
59.01380	9.1
60.84207	0.6
62.59263	0.7
64.34528	0.7
71.01361	0.7
87.42104	0.7
89.03941	1.4
101.32047	0.6
102.20016	0.8
102.28513	0.7
105.03397	0.9
105.12139	0.7
110.13035	0.7
117.03460	8.3
119.05035	1.4
132.02188	8.3
133.02953	12.8
134.03732	100.0
135.04463	3.7
137.02475	1.2
141.81400	0.8
147.04532	2.8
148.05237	0.8
149.06070	9.6
159.04630	0.7
160.01660	26.6
161.02458	3.4
175.03979	15.4
177.01939	0.9
178.02803	0.7
193.05060	44.0
207.06705	5.9
231.27754	0.7
234.05376	3.4
235.06134	2.8
239.16512	0.9
249.07545	5.2
267.08817	0.9
327.21475	1.0
428.11136	1.1
443.13492	47.9
444.13754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01117	0.8
59.01387	18.4
60.32378	0.6
61.98833	60.3
65.35624	0.8
71.01379	32.4
71.05000	5.4
72.00910	1.3
73.02939	0.9
74.02450	3.3
82.95412	1.0
85.02940	1.8
85.44140	0.8
87.00892	0.9
88.04013	4.6
89.02440	8.5
96.77248	0.8
96.96018	1.2
99.04505	1.2
101.02439	6.8
111.04564	0.7
113.02431	4.2
116.05030	3.8
116.07227	0.9
116.92811	1.5
119.03456	4.0
128.07172	1.4
146.08226	55.7
157.07672	3.9
200.09291	1.4
201.06737	1.0
203.08296	8.4
227.26567	0.9
231.09230	1.1
243.09209	1.2
257.10666	1.4
301.05206	0.9
308.13486	4.5
318.12271	1.6
369.29413	0.8
380.15640	100.0
381.15741	1.5
405.15689	6.9
434.90005	1.0
443.11752	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04594	0.5
56.00632	0.4
58.92426	0.5
59.01107	0.7
59.01383	15.4
61.98834	57.1
65.72690	0.5
71.01381	27.3
71.05020	5.4
72.00885	0.8
73.02934	0.6
74.02445	0.7
76.57698	0.6
82.95412	0.8
85.02944	3.0
86.60725	0.6
88.04025	4.1
89.02444	8.8
96.95995	1.3
99.04512	1.1
101.02435	9.1
113.02448	3.7
116.03532	0.8
116.05058	2.7
116.07120	0.7
116.92901	2.0
119.03522	3.0
126.87261	0.6
128.07178	1.4
130.06674	1.0
142.06621	0.6
144.16844	0.6
146.08234	56.0
149.48206	0.5
157.07697	1.3
161.04536	1.1
193.08791	0.6
200.09312	0.8
201.06718	2.2
203.08287	6.8
301.05173	1.1
308.13635	5.2
318.12427	1.2
380.15659	100.0
381.15927	1.3
405.15714	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	443.1926
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01892	3.4
57.03457	3.7
58.00591	1.0
59.01389	54.4
61.98833	0.8
71.01382	31.9
72.99294	2.8
73.02944	6.1
83.01401	4.5
83.05041	0.6
85.02959	14.2
85.06622	0.4
87.00865	0.8
89.02439	20.6
93.03464	0.8
95.01366	3.0
96.96002	0.6
99.00851	2.8
101.02437	22.5
111.00947	0.6
111.04530	0.8
113.02453	12.8
119.03503	6.9
121.06609	0.7
123.08170	0.7
128.03571	0.6
137.02412	0.9
139.07611	0.5
142.92693	0.6
143.03406	0.6
143.04648	0.6
161.04562	1.0
164.78209	0.5
179.05713	0.5
189.12849	2.0
219.13927	0.9
237.15088	0.8
245.35168	0.6
263.79376	0.5
272.09207	0.6
306.07663	0.6
341.11063	0.6
412.13708	0.6
415.44662	0.5
443.19290	100.0
444.19620	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	443.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41587	0.4
62.27006	0.4
64.43629	0.4
65.37508	0.4
75.29263	0.4
93.00146	0.6
99.18747	0.4
106.02085	0.4
112.04261	0.6
112.75439	0.4
115.94821	0.5
159.08458	3.6
161.06369	2.2
179.35654	0.5
217.07227	2.0
277.07486	2.5
343.12183	1.0
345.13922	1.9
357.13736	3.7
359.15381	100.0
360.15540	1.9
377.16220	1.0
425.20020	0.6
427.21619	48.2
428.21548	0.6
443.24780	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	443.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
59.01389	100.0
61.98843	10.1
65.72247	0.5
65.86435	0.5
71.01393	0.7
82.95444	0.5
89.02461	1.0
99.08142	4.7
104.86938	0.5
109.61472	0.5
121.54922	0.6
125.09744	0.5
139.69740	0.5
140.86256	0.6
149.54585	0.7
171.10210	0.8
185.11836	8.0
209.11839	16.7
209.13593	1.0
251.16508	0.8
291.19794	1.9
309.20752	12.6
309.24182	0.6
365.23770	0.7
429.61261	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18173	0.7
54.82611	0.8
57.03425	1.0
59.01384	13.2
61.98827	1.1
65.23248	0.9
66.34901	0.7
69.03454	9.5
85.48444	0.7
87.86226	0.7
89.02458	1.1
93.03458	1.5
107.05033	1.7
109.06590	40.6
113.02406	1.1
115.92114	1.3
126.86356	0.7
141.01692	0.8
202.22098	0.8
279.23291	17.2
280.23605	3.2
281.24362	0.9
311.27472	5.2
325.25369	0.9
325.29053	1.1
327.27029	5.3
341.28571	23.1
343.30084	22.8
353.28607	1.4
355.30136	8.4
361.23560	8.3
365.28625	7.9
371.29239	6.8
371.33786	5.8
381.27887	5.0
381.32025	1.3
383.29584	58.6
384.29767	3.0
397.31073	6.4
399.32721	100.0
400.33127	7.6
443.31717	55.2
444.31815	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	443.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67253	0.8
51.80293	0.9
59.01379	6.5
59.88585	1.0
61.98821	4.3
76.01096	0.9
81.03419	1.3
100.93347	3.8
107.05029	16.6
109.06582	100.0
113.02428	1.2
115.92062	47.7
116.92840	1.6
221.71915	1.1
258.52985	1.2
279.23425	4.9
289.25381	30.3
343.30212	1.5
361.23590	2.3
399.32675	12.9
417.33887	7.4
443.31720	65.9
444.31808	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	443.317
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
51.81708	0.7
54.57947	0.5
57.03449	3.1
58.92110	0.6
59.01385	6.1
61.98827	1.2
69.03453	1.7
73.02956	0.7
81.03453	1.4
95.05016	1.1
97.06562	1.0
100.99873	0.7
104.03093	0.8
105.02949	0.6
107.05021	33.6
109.06583	58.2
110.32669	0.7
115.92043	3.0
116.92852	0.8
121.06586	4.0
123.08079	0.7
135.08186	4.7
149.09724	1.7
153.60921	0.7
273.22250	15.1
275.23676	6.6
276.23926	0.9
279.23322	1.0
289.25363	9.7
291.26947	14.7
327.30511	0.8
329.28391	1.0
335.26123	1.1
371.29520	10.5
381.31665	9.9
383.29520	4.4
384.30356	13.8
399.08881	0.7
399.32697	100.0
400.33051	3.1
443.31705	89.5
444.31738	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	443.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99635	0.4
54.82585	0.3
59.01383	100.0
68.36825	0.4
70.67820	0.3
92.65370	0.4
104.52192	0.4
121.96597	0.4
381.31784	0.5
405.19098	0.4
443.32050	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	444.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
64.34338	0.2
73.00967	0.2
73.82762	0.2
88.23277	0.2
104.29803	0.2
130.08734	0.2
141.52493	0.2
172.45358	0.2
178.46368	0.2
214.63278	0.2
379.73361	0.2
408.31433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
63.34399	1.2
83.50521	1.1
89.61091	1.0
111.66894	1.1
315.03430	1.2
347.38193	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78204	0.3
57.91109	0.2
59.01390	74.6
71.01389	1.5
72.82148	0.3
75.00864	2.9
76.57755	0.3
84.10243	0.3
89.02444	0.6
92.11708	0.8
97.80339	0.4
101.02435	0.4
103.00366	100.0
104.00714	0.4
104.03493	0.6
108.46362	0.3
108.93738	0.3
113.02460	0.3
115.00361	0.6
131.98061	0.3
133.01398	0.7
135.53198	0.3
148.11761	0.3
341.10883	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	445.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	82.3
62.82956	0.2
71.01395	0.4
75.00868	2.6
92.11752	1.1
92.65499	0.3
103.00363	100.0
104.03529	0.5
115.00308	0.4
119.03529	0.3
124.77321	0.3
133.01422	1.8
149.54138	0.3
191.00725	0.3
196.79793	0.4
254.14616	0.3
295.23615	0.3
341.10764	0.5
377.95337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21415	0.3
53.78481	0.2
54.20440	0.2
54.82724	0.2
55.01840	0.2
56.39791	0.2
57.03464	0.4
59.01387	21.6
59.25343	0.2
61.10583	0.3
61.98846	0.5
64.28053	0.3
64.34563	0.2
71.01392	3.4
73.02935	1.1
74.02437	0.3
79.95742	2.4
80.96503	2.2
83.01389	0.4
85.02936	1.2
87.00863	0.6
89.02447	3.9
92.47450	0.3
95.95246	0.6
96.96002	84.9
98.40219	0.3
99.00897	0.5
101.02445	2.8
103.90472	0.3
113.02439	1.8
119.03516	1.9
122.97591	1.4
138.97075	3.3
150.97116	1.2
161.04536	0.6
164.98587	0.4
179.05655	2.4
180.98135	0.5
186.05788	0.3
198.99167	0.3
223.06473	0.3
224.98732	0.3
232.99367	0.3
241.00308	4.1
248.90918	0.3
310.79379	0.3
385.18716	0.4
386.60602	0.3
445.17557	100.0
446.17847	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	445.2
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98839	1.2
62.96414	0.2
78.45469	0.1
78.95902	5.9
83.77384	0.1
88.25588	0.1
88.26904	0.1
116.92850	0.2
129.13440	0.1
149.00095	10.0
155.10785	0.1
170.03957	0.1
179.01167	0.2
188.00887	0.1
205.15987	10.3
216.91280	0.1
339.13812	0.3
355.16830	30.7
385.17896	14.3
385.23022	0.3
445.20114	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.2
55.31845	0.2
57.03461	0.2
58.00607	0.8
59.01388	100.0
60.01734	0.2
61.98839	0.2
67.46328	0.1
71.01382	14.4
72.99314	1.1
73.02953	0.3
75.00898	0.2
80.96494	0.2
83.01421	0.3
83.05027	2.8
83.68893	0.2
85.02960	2.0
85.33080	0.1
87.00874	0.7
89.02441	23.1
92.12392	0.2
95.01395	1.3
95.01907	0.2
96.96007	7.8
101.02441	6.4
113.02435	5.8
113.03147	0.2
119.03490	7.8
121.06670	0.2
131.03522	0.8
143.03496	1.5
149.04607	0.9
161.04559	2.9
179.05611	14.7
205.12393	0.4
365.18381	0.4
445.17606	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	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28164	0.4
50.97342	0.4
53.00065	0.5
55.01879	1.1
56.95310	0.4
57.03459	1.8
58.00587	0.7
59.01385	100.0
68.57339	0.4
68.64671	0.4
71.01377	22.8
72.99289	0.6
73.02944	4.5
79.95712	0.6
83.01389	1.2
85.02948	9.3
87.00867	0.5
89.02435	12.8
92.12289	1.0
94.38470	0.5
95.01373	1.1
96.95998	27.7
97.02908	1.9
99.00883	1.1
101.02428	13.4
101.78840	0.4
104.33520	0.6
108.05824	0.7
109.06605	0.8
113.02438	8.5
119.03487	3.5
122.03681	0.8
123.08150	2.2
125.06062	0.9
136.05215	0.9
138.06854	9.7
139.07637	2.6
143.03456	0.5
151.07669	8.2
152.08435	13.4
153.09210	38.7
157.10489	0.5
159.02974	0.9
161.04567	10.4
163.11272	1.1
165.09087	0.7
171.82440	0.4
179.05609	3.2
190.10005	0.6
205.12352	14.9
208.03886	0.6
223.06038	0.7
223.13422	13.5
326.61667	0.5
385.18680	32.2
386.18680	1.0
445.17447	28.5
446.17850	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34825	0.7
55.01873	1.4
57.03435	4.7
59.01384	100.0
61.08918	0.6
61.98828	5.7
71.01376	22.8
73.02939	9.1
73.44340	0.8
80.96518	1.0
82.95395	1.2
83.01376	1.4
85.02936	8.8
87.00849	1.0
89.02417	7.6
92.12393	1.0
95.01350	1.1
96.96002	53.9
99.00848	1.6
101.02439	11.4
103.91312	0.8
105.29005	0.8
113.02435	6.1
113.03130	0.9
113.06104	0.8
116.92812	1.0
119.03483	1.4
123.08112	1.0
125.35751	0.8
137.09720	6.8
138.97066	1.5
143.03531	1.3
153.09190	1.9
161.04538	12.5
161.09607	0.9
163.11270	1.5
165.09201	0.9
179.05562	1.7
179.10789	5.3
187.11241	1.2
205.12335	10.0
223.13431	10.2
241.00166	0.9
269.04480	3.3
290.79913	0.8
297.04080	1.1
400.62753	0.8
445.07477	2.8
445.17447	60.7
446.17523	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
57.03439	4.3
59.01385	100.0
61.98544	1.2
61.98836	29.1
71.01380	26.3
72.99306	1.4
73.02951	10.4
73.81281	0.9
75.00845	1.0
79.95710	1.4
82.95418	1.6
83.01388	2.0
83.05027	1.8
85.02938	9.8
87.00858	1.4
89.02429	21.2
91.63502	1.0
91.70120	0.9
95.01402	1.3
95.05028	1.4
96.95998	63.8
97.06590	1.9
99.00884	1.2
101.02438	16.1
103.27376	0.9
104.90814	0.9
108.55504	0.9
109.06606	1.2
111.80861	0.8
113.02457	12.2
116.92812	0.9
119.03490	8.2
123.04456	1.8
137.09682	1.1
138.97084	1.0
143.03517	1.5
151.11339	1.3
151.75546	1.1
159.02975	1.0
159.08493	1.0
161.04549	16.2
161.09724	16.8
164.08533	1.2
167.03459	2.2
177.12860	4.7
179.05606	9.3
179.10771	26.8
179.12242	1.3
197.04709	1.0
205.12344	17.1
209.04533	3.6
221.11830	4.1
223.13449	7.6
346.84137	1.2
409.28113	2.1
445.17542	63.3
445.22101	2.8
446.17700	4.2
461.89087	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	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
59.64666	1.1
61.98849	4.7
71.01391	11.5
71.09940	1.1
72.99327	1.9
73.02940	1.4
75.71097	1.2
80.22164	1.3
85.02947	3.3
89.02456	12.3
95.01366	1.7
95.04467	1.3
96.96011	15.4
101.02441	8.1
113.02444	8.1
116.92838	5.9
119.03487	3.0
125.42172	1.2
126.38132	1.2
126.91217	1.2
137.09746	3.0
139.74394	1.4
161.04564	2.4
175.11336	2.0
187.11275	3.2
190.09970	1.3
205.12367	6.4
233.11794	2.3
385.18448	2.0
397.86719	1.5
445.17487	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	445.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32144	0.3
59.01381	0.8
62.96678	0.3
68.22051	0.3
78.95893	9.8
95.69768	0.5
110.78452	0.4
110.98516	7.2
167.01137	4.5
185.02179	3.3
233.22882	0.6
237.07819	0.4
240.17058	0.4
275.20114	0.6
277.21722	100.0
278.22122	3.4
368.34564	0.4
429.29620	0.4
445.23669	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	445.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62253	0.3
58.13787	0.4
59.01371	2.5
59.22663	0.4
62.11101	0.3
71.01368	0.7
75.62811	0.4
76.69756	0.4
78.95911	22.3
85.67883	0.3
104.97453	0.8
110.98533	16.4
137.00072	0.5
139.86179	0.3
166.99706	0.6
167.01131	14.1
185.02191	4.1
193.23283	0.3
216.82224	0.4
223.51395	0.3
240.95819	0.4
277.21729	100.0
278.22180	2.9
409.75461	0.4
445.23663	20.4
446.23892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42350	0.3
57.03449	3.2
59.01385	92.1
59.62914	0.3
60.01722	0.4
61.98833	2.5
65.64329	0.3
71.01398	0.5
72.56452	0.3
72.99310	0.5
75.00896	0.4
85.02975	0.8
87.04510	10.5
89.02438	3.8
91.04002	12.6
115.68353	0.3
119.36603	0.4
195.21454	0.4
223.17044	32.8
235.17036	4.9
275.20178	4.6
293.21234	9.7
311.22302	100.0
312.22589	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	445.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56483	0.2
58.00595	6.6
59.01383	90.2
61.98833	1.7
68.13768	0.3
73.02949	0.3
87.04520	0.4
89.02445	2.1
91.03999	12.1
99.08154	0.3
109.06602	1.6
127.07643	5.9
183.13881	23.7
195.13893	2.3
201.11284	0.3
211.13354	1.2
213.14957	6.4
223.13423	2.3
223.17038	1.8
227.21039	0.3
241.14456	8.4
275.20212	1.9
293.21234	12.0
311.22287	100.0
312.22525	1.7
326.19400	0.4
367.13107	0.3
385.25925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33653	0.9
58.36088	0.9
60.70607	1.0
61.98819	1.7
80.12029	1.0
82.17342	0.9
82.38170	1.1
120.66489	1.1
120.97289	1.1
122.45305	1.1
135.08154	1.8
150.02753	1.0
153.36383	1.0
163.07646	79.0
213.25513	1.0
266.19504	1.0
316.42249	1.2
446.37711	100.0
447.38126	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	6-C-Galactosylisoscutellarein
Peak:m/z	Relative Intensity
50.58487	0.1
53.74285	0.1
59.01381	100.0
61.98841	1.3
62.41380	0.1
65.04185	0.1
71.01382	1.0
73.02951	0.5
73.73451	0.1
76.58504	0.1
79.01896	0.2
82.95406	1.0
83.01385	0.3
85.02973	0.2
89.02431	0.7
92.91851	0.2
95.01357	0.2
96.95991	1.8
98.95585	0.7
101.02410	1.1
107.01403	0.2
109.02962	0.9
110.00108	0.3
113.02448	0.6
116.92830	0.3
121.02957	1.0
125.02442	0.7
133.02931	4.6
134.03696	0.2
135.04524	0.9
137.99571	0.6
138.14253	0.2
147.04544	0.3
149.02466	0.3
151.00343	0.3
153.01921	15.5
158.88959	0.2
161.02496	0.7
161.04585	0.7
163.00304	1.2
163.04007	0.7
165.01881	1.1
168.04262	13.7
175.00400	0.2
175.04005	0.8
176.38286	0.2
177.01912	0.3
183.06606	8.6
187.04010	0.2
191.03571	0.2
199.04094	0.6
201.01878	0.3
211.03899	0.2
213.05576	0.3
217.05049	0.2
225.05634	0.3
241.05067	0.3
253.05095	0.3
255.02875	0.3
255.06882	0.2
261.30576	0.2
267.07022	0.2
269.04614	1.2
270.05023	0.7
271.02548	0.2
271.05237	0.3
281.04703	0.2
284.03162	1.8
285.04037	3.0
297.04019	6.0
298.04807	4.5
299.05609	8.0
309.04266	0.2
311.05734	2.0
324.02689	0.3
327.05106	20.1
328.05478	0.2
330.03754	0.3
339.05081	3.1
341.06921	0.6
357.06149	10.2
387.07333	0.3
409.28174	0.2
429.08206	1.5
446.17776	0.9
447.09366	12.9
447.17352	1.6
447.25769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88173	0.7
55.01881	1.3
57.03438	5.0
58.79488	0.6
59.01105	1.4
59.01382	30.6
59.93108	0.7
67.01880	1.1
68.99817	3.0
69.03467	1.1
71.01380	27.5
72.99300	8.9
73.02949	1.2
74.83211	0.7
75.00865	25.5
81.03454	1.1
83.01365	3.2
85.02946	27.2
87.00855	11.0
89.00314	4.6
89.02438	6.1
91.01879	3.3
95.01381	6.7
96.95974	1.2
99.00864	17.8
101.02435	1.0
103.00391	1.5
106.00590	4.4
107.01356	6.6
111.00863	5.3
113.02440	24.4
115.00353	1.5
117.01930	3.6
121.02943	80.4
123.00867	6.3
127.00334	1.4
129.01936	3.4
130.99771	1.0
136.98825	1.4
137.02403	2.9
138.03214	7.4
139.00369	3.1
139.03981	5.9
153.02060	0.8
153.05571	57.5
166.99879	3.4
175.02461	1.9
181.01405	4.5
182.02220	3.5
183.03009	11.2
195.02971	0.9
197.04559	85.3
231.05078	4.0
241.03468	1.1
249.06161	51.0
256.05954	5.1
257.06677	5.8
267.07245	15.9
271.08243	5.6
285.06143	0.9
299.07672	1.2
332.01657	0.8
385.11469	1.9
387.09332	1.6
395.48657	1.4
415.08759	1.0
428.13278	1.0
429.10382	12.4
447.11484	100.0
448.11722	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20787	1.9
53.46022	1.8
55.01871	3.3
56.97715	1.8
57.03444	3.8
59.01392	34.5
61.98834	3.1
67.49386	2.1
71.01378	30.9
72.99286	11.4
73.02942	2.8
75.00878	19.7
85.02938	34.4
86.34191	2.8
87.00845	13.0
89.02435	11.7
92.11790	4.2
93.03453	4.5
95.01375	10.8
99.00848	11.1
101.02469	3.8
103.00361	3.0
105.15203	2.1
111.00855	3.2
113.02450	32.6
117.01961	3.9
121.02941	70.3
123.00822	5.2
127.00348	2.3
137.02415	3.7
138.03203	3.7
153.05574	35.9
180.06653	12.2
181.01439	4.2
182.02254	2.8
197.04549	59.8
239.05576	2.5
249.06171	12.6
256.05923	4.0
267.07172	28.1
271.08167	10.8
385.11276	5.4
429.10437	3.9
447.11411	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	447.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34793	0.2
54.63604	0.2
59.01390	1.0
61.98835	2.4
62.96416	1.1
63.41942	0.2
67.39027	0.2
69.66277	0.2
78.95904	49.2
96.92601	0.2
96.96957	3.2
107.05114	0.2
130.25986	0.2
149.00085	26.8
151.01685	0.3
156.37799	0.2
158.92526	2.2
176.17847	0.2
179.01141	3.0
187.36554	0.3
190.96477	0.3
205.15984	2.7
222.47145	0.3
347.08423	0.3
403.69531	0.2
404.93820	0.2
417.12552	1.0
431.10449	4.5
447.13449	100.0
448.14145	0.9
464.09854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22828	0.3
59.01385	100.0
61.98830	2.4
69.32499	0.3
71.01378	3.5
72.68137	0.3
72.69972	0.3
72.78798	0.3
73.02982	0.3
85.02967	1.2
88.98824	0.4
89.02444	3.5
96.96013	1.7
98.95601	1.7
101.02453	1.7
108.79643	0.3
113.02460	1.9
119.03479	0.5
121.02958	0.4
125.02465	0.4
137.68654	0.3
153.01936	11.0
153.03088	0.5
161.04512	0.4
168.04280	11.5
183.06619	6.7
254.55064	0.4
355.44324	0.3
387.20163	3.9
446.17612	0.5
447.17365	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	447.151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32927	0.1
52.45979	0.1
52.94034	0.1
55.51389	0.1
59.01384	100.0
61.98834	0.9
65.47173	0.1
70.64902	0.2
71.01379	0.9
73.02935	0.2
85.02942	0.3
87.84214	0.1
96.96043	0.2
98.95607	0.3
101.02476	0.3
101.38556	0.2
105.00589	0.2
109.02929	0.3
110.00140	0.3
125.02464	0.3
126.95279	0.2
129.89560	0.2
133.02924	2.4
135.04544	0.4
136.01538	0.2
137.99582	0.3
153.01926	14.9
161.04581	0.2
163.00430	0.3
163.04080	0.3
168.04265	13.5
175.04022	0.7
180.41666	0.2
183.04984	0.3
183.06609	9.7
184.50557	0.2
201.02008	0.2
267.07202	0.3
269.04630	0.3
284.03323	0.4
285.04141	1.8
297.04050	2.5
298.04797	1.7
299.05600	3.7
311.05740	0.9
327.05136	8.4
330.03979	0.2
339.05246	0.7
354.03635	0.2
357.06195	4.3
426.12863	0.2
428.35391	0.2
429.08490	0.3
447.09653	5.6
447.17792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43242	0.3
57.03460	0.7
59.01384	100.0
61.01785	0.3
61.98829	0.9
63.16008	0.3
65.78685	0.3
69.11417	0.3
70.57127	0.3
71.01381	2.9
73.02945	0.7
76.57429	0.3
80.77930	0.3
81.56357	0.3
83.01362	0.4
85.02950	0.7
89.02437	1.3
101.02464	1.7
113.02469	1.5
115.19299	0.3
116.92842	0.8
135.08212	0.4
137.99631	0.4
153.01952	11.0
153.03122	0.6
161.04538	1.2
168.02902	0.7
168.04262	10.3
183.06618	6.7
274.69687	0.4
339.33212	0.4
387.20111	3.3
447.26733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17445	0.6
53.91265	0.6
55.01881	4.8
57.03458	3.1
59.01385	100.0
61.98835	15.7
63.01043	0.7
67.18420	0.7
67.18790	0.7
71.01382	39.0
72.99312	1.4
73.02940	14.1
83.01353	7.1
85.02941	21.2
87.00854	1.1
89.02442	14.3
95.01363	1.5
98.06071	0.9
98.95596	0.9
99.00873	4.4
101.02432	33.3
113.02444	14.9
113.07219	1.5
116.92845	4.2
119.03513	3.3
137.09703	3.2
143.03546	1.0
159.02977	1.9
161.04553	19.1
165.12860	1.3
179.05658	1.9
205.12364	1.2
215.48679	0.8
217.13405	1.5
225.14951	21.9
257.41699	1.0
261.12421	1.0
327.05417	1.1
387.20264	50.5
447.17130	1.3
447.22800	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01711	0.3
61.98829	3.2
71.01384	5.2
72.99306	0.4
73.02946	0.6
85.02953	1.6
87.00890	0.4
89.02438	8.5
94.98043	0.3
95.01395	0.7
101.02446	3.0
113.02452	3.1
117.94972	0.3
119.03501	3.4
119.05001	0.3
121.02945	0.4
122.02509	1.1
123.02863	0.3
128.03531	0.4
136.04060	0.3
149.04622	0.4
161.04594	1.6
179.05615	5.3
222.53346	0.3
239.60167	0.3
343.26993	0.3
351.13214	0.3
387.20578	1.5
411.19159	0.6
433.06744	0.3
447.11453	0.5
447.16556	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	447.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40332	0.6
51.80005	0.6
57.03437	1.4
59.01383	100.0
61.98822	3.4
71.01028	1.0
71.01377	16.3
73.02930	4.7
75.48038	0.7
79.21205	0.7
83.01361	1.1
85.02937	9.5
87.00859	0.8
89.02431	5.8
95.01376	1.2
99.00854	1.6
101.02445	11.5
111.08113	0.9
113.02419	8.1
115.07638	5.9
116.92829	1.6
119.03497	3.0
159.03021	1.2
160.01675	0.9
161.04549	11.9
180.86107	0.7
181.12326	1.0
207.13939	3.1
225.14944	4.0
241.07288	0.9
353.87958	0.8
365.14481	6.8
387.20175	19.7
425.01022	1.1
447.16803	1.8
447.22485	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98829	0.9
62.50541	0.5
71.01379	6.0
85.02973	2.0
89.02433	10.6
101.02446	3.5
113.02462	3.4
119.03528	3.9
119.04996	4.8
121.02966	3.2
131.03555	0.5
136.07683	2.1
161.04526	0.8
163.04080	2.5
165.03706	0.5
179.05603	4.6
180.06712	2.4
209.04567	1.1
212.36623	0.6
226.79219	0.7
271.55234	0.6
298.70761	0.6
387.20395	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01385	100.0
61.98835	28.3
64.31728	0.3
71.01382	8.3
71.03528	0.3
73.02950	2.4
82.95402	0.8
83.01393	1.4
85.02947	3.3
89.02438	4.5
95.01379	0.4
96.96043	1.4
98.95598	0.5
101.02430	5.7
111.79629	0.4
113.02412	3.2
114.60201	0.4
116.92837	0.8
119.03503	1.7
121.03044	0.4
142.06694	1.5
142.10814	0.3
159.03027	0.6
161.04562	5.2
168.15654	0.3
179.05646	0.8
189.12834	2.6
207.14008	0.6
225.15117	0.7
269.36258	0.4
275.39368	0.3
276.43173	0.3
366.12274	0.7
387.20505	2.2
391.63391	0.4
447.17529	1.6
447.22763	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57789	0.2
62.74103	0.2
63.42325	0.2
67.68835	0.2
78.95900	15.5
92.12370	0.4
94.98998	0.3
104.97504	0.4
109.45286	0.2
110.98524	11.9
122.09820	0.2
133.31819	0.2
166.99701	0.5
167.01125	10.8
182.44618	0.3
185.02197	2.8
217.91060	0.3
244.22537	0.2
261.22153	0.3
279.23300	100.0
280.23557	2.2
447.25223	19.6
448.25690	0.5
466.88333	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58993	0.2
50.91919	0.2
54.90676	0.2
58.16689	0.2
59.01374	0.4
59.64499	0.2
73.61588	0.2
75.52139	0.2
76.15034	0.2
78.95896	5.3
79.63219	0.2
85.61053	0.2
103.86238	0.2
110.98533	4.4
112.71465	0.2
116.89420	0.2
117.77033	0.3
126.59251	0.2
152.99611	0.4
159.63211	0.2
167.01149	1.2
185.02197	3.0
209.91956	0.3
226.80742	0.2
261.22400	0.5
279.23300	100.0
280.23639	1.6
367.78625	0.3
447.25241	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	447.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52966	0.3
77.31970	0.3
78.95901	5.1
85.79565	0.2
90.90960	0.3
99.70141	0.3
103.52525	0.3
109.62392	0.3
110.98523	4.9
117.72839	0.3
126.51097	0.3
129.27679	0.3
131.15047	0.3
167.01132	2.6
185.02205	2.8
279.23300	100.0
342.34933	0.3
447.25198	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	448.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38980	0.1
59.01394	1.1
60.01723	0.1
61.01829	0.1
61.98842	100.0
67.27972	0.1
75.50338	0.1
78.95910	0.1
149.00114	0.1
229.68475	0.1
230.12714	0.1
251.20258	0.3
346.72113	0.1
358.17551	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.8
61.01809	0.2
61.98832	100.0
65.59913	0.1
71.01382	0.4
72.01740	0.1
75.00890	0.1
85.02953	0.5
87.00892	0.2
88.01273	0.1
89.02455	0.5
89.51978	0.1
99.00848	0.1
101.02422	0.1
102.98659	0.1
107.29266	0.1
113.02457	0.5
119.05038	0.1
163.03978	0.2
180.07219	0.1
212.85381	0.1
227.70616	0.1
249.06174	0.2
259.21930	0.1
260.09119	0.1
267.07269	1.1
353.70734	0.1
385.11749	0.5
413.11099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07920	0.1
55.28249	0.1
56.29039	0.1
59.01384	10.0
59.71001	0.1
60.01710	1.0
61.98833	100.0
63.95038	0.1
71.01396	0.2
87.62470	0.1
89.46368	0.1
129.20271	0.2
153.01962	0.7
154.02223	0.2
154.80960	0.1
160.59081	0.1
168.04333	0.8
183.06772	0.2
184.06963	0.3
255.62357	0.2
261.08279	0.2
300.03104	0.2
316.78424	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92464	0.2
59.01379	1.3
61.01809	0.2
61.98832	100.0
74.82729	0.2
78.95911	0.3
96.76043	0.2
108.90206	0.2
152.99641	0.3
270.96225	0.2
313.23029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38196	0.1
55.64191	0.1
55.93974	0.1
59.01374	1.0
61.98832	100.0
62.28364	0.1
75.57374	0.1
77.96927	0.1
78.95929	0.1
180.94424	0.1
267.30246	0.1
269.96701	0.1
312.22629	0.2
313.22946	0.3
314.23190	0.2
320.94885	0.2
348.95599	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	449.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56044	0.4
59.01366	0.8
61.98831	26.3
62.96412	24.2
68.90277	0.5
78.95899	66.6
80.97463	39.0
86.81421	0.5
92.11758	0.6
115.69732	0.6
132.61755	0.6
145.48769	0.5
149.00089	23.5
151.01653	0.7
179.01131	2.6
190.31535	0.6
205.14078	0.7
205.15965	14.1
242.98314	4.7
245.09009	0.6
285.12656	1.0
355.16833	24.9
355.21259	0.9
385.17883	30.4
431.13992	0.6
449.15005	100.0
450.15314	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	449.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31087	0.3
55.44151	0.2
59.01384	0.5
61.98831	6.3
62.96408	24.6
64.03065	0.3
70.77594	0.3
78.95894	68.7
80.97459	37.5
113.50435	0.4
121.02946	0.4
142.04964	0.3
149.00078	23.2
150.00488	0.4
155.91263	0.3
174.22203	0.3
179.01158	2.5
181.02747	0.4
205.15976	14.1
238.53084	0.3
242.98288	5.6
269.80215	0.3
285.12592	2.2
355.16812	23.0
385.17862	28.6
419.13931	0.3
448.13751	2.1
449.14981	100.0
450.15442	1.1
464.59732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82513	39.7
58.10219	37.5
59.01368	61.3
61.98812	100.0
64.34274	47.5
66.19362	38.8
77.83747	39.1
78.22038	45.1
78.95892	92.3
85.43118	36.1
95.80832	44.1
96.96001	51.4
97.95482	48.2
152.99594	76.1
162.72412	47.6
234.30228	45.8
389.18033	50.8
409.07343	44.3
409.17825	50.1
425.35712	45.8
440.76727	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68904	14.8
57.22096	16.2
59.01377	30.1
60.96343	15.8
61.98814	100.0
69.36515	21.0
71.62188	17.2
72.34634	16.2
92.65076	23.9
133.94398	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43005	13.2
50.77288	12.8
55.79380	13.9
56.09866	13.3
59.01380	100.0
59.55024	18.0
61.98821	35.9
77.54215	13.6
78.95920	39.4
84.57334	15.8
93.36511	13.7
96.95985	36.8
149.57706	17.6
149.74817	15.8
150.46338	17.1
177.73766	15.4
201.76103	15.8
298.15845	15.9
315.25363	84.4
439.98779	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	449.174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27284	13.9
53.96849	15.8
55.37931	21.8
59.01376	47.6
61.98857	21.4
63.53350	16.5
65.67726	17.3
78.91862	21.2
78.95895	34.8
86.57378	20.0
116.92841	100.0
208.20525	19.6
214.87402	18.9
264.11865	19.7
390.06757	22.9
457.49069	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	449.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
57.03439	3.3
58.00586	1.2
59.01390	100.0
61.98831	3.2
62.51213	0.6
71.01044	1.0
71.01393	17.6
72.99312	0.7
73.02940	1.0
80.93291	0.8
83.01385	0.7
85.02972	4.6
89.02450	17.8
99.04520	9.9
99.62599	0.7
101.02415	8.7
110.92709	0.6
113.02457	6.4
115.61403	0.6
119.03489	5.2
119.14700	0.6
119.98870	0.6
120.17133	0.7
121.90786	0.6
133.20590	0.6
140.38521	0.6
159.61906	0.6
165.12871	5.3
189.12840	1.4
193.05090	0.9
207.13924	10.1
209.10020	1.2
209.11856	25.8
225.14999	10.9
227.12874	1.3
251.12943	4.2
266.21661	0.7
269.13956	66.2
270.14270	0.9
287.15073	2.6
389.18369	0.8
431.19623	0.8
449.20300	93.8
450.20609	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	449.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98848	0.2
65.31844	0.2
65.90486	0.2
75.16794	0.2
78.95433	0.2
78.95896	6.5
110.98521	5.5
146.96796	0.2
148.76965	0.2
152.99571	0.5
167.01141	2.3
185.02202	2.6
263.23874	0.2
281.24863	100.0
282.25259	0.9
449.26749	10.4
449.32910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	0.9
59.01382	99.8
61.23005	0.8
61.98831	16.3
70.41761	0.8
78.95473	1.3
78.95891	22.5
91.03989	6.0
93.35320	1.0
96.96935	1.5
116.92804	1.1
125.09721	1.0
127.11224	1.2
141.12837	1.9
152.99571	6.1
171.00630	4.6
192.47725	1.0
245.81445	1.0
297.24301	6.2
313.23679	1.5
315.25397	100.0
316.25833	2.2
450.26230	20.7
452.62958	1.2
461.13977	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.3
59.41325	0.3
59.49628	0.3
61.98820	2.1
66.94457	0.3
75.58286	0.4
78.95900	20.4
98.50262	0.4
116.92866	0.6
122.00091	1.6
140.01205	4.2
151.92432	0.4
152.99576	1.6
196.03799	8.8
214.04893	1.7
253.21733	100.0
254.22211	0.6
322.86499	0.4
391.17969	2.2
401.90002	0.5
450.26315	27.5
451.26620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.3
61.98819	1.7
68.49700	0.3
78.95894	20.5
83.05010	0.8
102.35620	0.3
107.76003	0.3
116.92828	0.6
121.20341	0.3
122.00094	0.7
140.01184	6.9
152.99573	1.6
196.03806	10.2
203.80011	0.4
214.04880	2.8
217.85843	0.3
235.20786	0.4
253.21721	100.0
254.22061	1.5
414.82794	0.4
444.79172	0.5
450.26291	26.6
451.26724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82948	0.1
59.01379	0.7
61.98831	100.0
62.34740	0.1
72.79323	0.1
78.95907	0.2
116.92872	0.5
152.99686	0.4
157.65912	0.1
189.09583	0.1
241.96741	0.1
313.24033	0.1
314.24310	0.2
315.24606	0.2
316.24774	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	450.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
60.01713	0.1
61.01809	0.1
61.98833	100.0
62.04057	0.1
73.35661	0.1
78.95926	0.1
116.92896	0.1
136.54155	0.1
248.59050	0.1
285.96951	0.1
314.24377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52018	0.1
59.01385	0.8
61.01839	0.1
61.98832	100.0
89.84468	0.1
96.96010	0.1
102.64575	0.1
106.10767	0.1
116.92895	0.2
152.99640	0.2
171.31252	0.1
186.91978	0.1
217.97151	0.1
315.24460	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82378	0.5
55.01882	2.2
55.44727	0.4
57.03449	1.2
59.01384	100.0
59.88531	0.4
61.98534	0.9
61.98829	12.9
68.31194	0.4
71.01374	15.9
71.05021	0.8
72.99299	0.6
73.02942	7.1
75.00866	14.7
83.01397	3.1
85.02946	9.0
87.00899	0.9
89.02434	4.5
92.66176	0.5
95.01366	1.9
96.96040	0.6
97.02895	0.5
99.00919	2.0
101.02439	10.3
101.06096	0.9
107.26363	0.5
111.08199	0.5
113.02441	7.5
116.92866	0.6
116.95800	0.5
119.03503	1.0
122.92472	0.5
125.09726	0.5
139.11342	2.2
143.03540	0.7
147.02408	0.5
161.04588	2.2
176.72014	0.5
187.09659	0.6
189.89624	0.5
201.11418	2.0
201.15083	0.8
203.16611	2.3
331.25104	1.1
347.20724	16.4
353.22903	0.5
365.21844	15.5
373.26627	0.7
391.23300	2.7
391.27551	8.4
407.23611	0.8
451.18375	3.1
451.25909	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	451.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90171	0.3
55.01885	0.6
57.02819	0.3
57.03453	4.2
58.00594	0.4
59.01385	100.0
60.01722	0.4
61.94220	0.3
61.98830	5.0
71.01381	11.3
71.05032	0.7
73.02945	13.0
83.01399	2.0
83.05019	0.5
85.02955	7.0
85.06592	0.6
87.00887	1.0
87.04518	2.1
89.02428	4.3
95.01373	0.6
96.96013	0.7
97.06606	1.0
99.00881	0.6
99.04515	0.5
99.08169	0.4
101.02431	7.8
101.06100	0.5
109.06630	0.4
111.00883	0.4
111.08216	1.5
113.02436	4.1
115.07656	0.7
116.92869	1.8
123.08172	0.7
133.03044	0.8
135.04535	2.1
137.09753	2.1
143.10811	1.0
151.11333	0.8
153.09218	0.6
154.08501	0.4
155.10785	0.6
159.10339	2.5
161.04645	1.8
169.12404	0.6
173.11810	0.8
203.16614	0.9
217.14516	1.0
271.11002	0.9
287.22485	1.7
347.20761	11.8
347.24673	0.6
365.21927	8.7
373.26385	0.5
391.27112	28.0
407.23264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51123	0.4
50.96508	0.3
54.82530	0.4
57.03187	0.8
57.03454	13.5
58.00601	0.5
59.01385	94.1
61.98835	13.2
63.05989	0.4
69.03452	0.7
71.01379	8.8
71.05020	6.6
72.02184	0.7
73.02943	15.4
76.05573	0.4
83.05025	2.6
85.02942	9.8
85.03406	0.6
85.06593	2.0
87.04523	2.7
89.02425	0.4
92.11794	0.9
92.44055	0.4
96.96009	3.4
97.02965	0.8
97.06579	1.7
99.04511	1.0
101.02412	3.8
101.06034	0.6
103.03995	0.8
111.08155	3.5
113.02433	1.0
113.06055	0.9
113.09741	3.6
115.18758	0.4
116.92862	1.8
123.08164	1.7
125.06073	0.8
125.09728	1.0
127.07538	0.5
129.09235	0.5
135.08154	0.4
137.09732	6.3
139.11295	2.8
141.09227	1.0
143.03494	0.5
143.10779	29.4
151.11272	2.1
153.09183	3.5
155.10773	4.1
157.12361	3.4
157.13643	0.4
163.11246	0.8
167.10760	0.7
168.28139	0.4
169.12352	3.7
171.10251	0.7
173.11841	2.8
193.59946	0.4
195.06683	0.9
197.15474	0.7
199.13361	1.5
217.14404	2.9
237.18588	0.6
283.22800	0.7
285.20734	0.8
287.22467	3.0
295.22879	0.6
299.22125	0.4
313.23743	0.9
329.23407	2.1
336.92352	0.5
347.20679	0.7
365.21658	0.4
371.32126	0.6
373.25967	2.4
391.27063	100.0
392.27316	0.9
451.25433	0.7
478.34988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99268	0.4
55.91219	0.3
57.03453	5.0
57.03688	0.6
57.29156	0.4
58.00599	1.9
59.01381	89.7
59.95186	0.3
61.98827	10.3
69.03448	0.8
70.32909	0.4
71.01379	8.0
71.05010	2.0
72.02176	0.4
73.02937	26.4
83.01427	0.5
83.05027	2.9
85.02941	9.7
85.06576	0.7
87.04499	9.8
89.02441	0.8
95.05013	0.7
96.95997	0.6
97.06540	4.0
99.04494	0.7
99.08143	2.1
101.02425	2.1
101.06053	0.8
103.03992	0.7
109.06596	1.9
111.08136	2.4
113.09737	0.9
113.50769	0.5
116.92841	1.9
119.08650	0.6
121.06625	0.5
123.08128	3.1
125.09701	2.1
127.07649	2.7
129.09212	3.4
135.08156	2.1
137.09697	14.3
139.07646	2.0
139.11255	0.7
141.09215	2.9
143.10764	4.1
144.20964	0.4
151.11339	0.7
153.09169	4.4
155.10754	0.8
157.12341	0.6
159.10304	3.2
165.09209	2.0
167.10754	1.9
169.12344	0.9
173.11833	7.5
179.10750	1.0
181.12325	0.8
187.13365	4.4
199.13437	1.0
217.14458	26.5
218.14607	0.5
245.17612	0.9
268.93451	0.5
280.21100	0.5
287.22382	6.6
293.21265	0.6
295.22595	0.5
309.20612	0.8
329.23340	2.3
331.25095	0.6
345.22952	0.6
347.20721	2.9
365.21790	0.9
373.25992	2.4
391.27036	100.0
392.27377	2.2
415.24551	0.5
451.16263	0.5
451.33136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21853	0.3
58.24928	0.3
59.01373	2.0
61.88550	0.3
61.98837	0.4
63.88956	0.3
71.01364	0.8
72.99300	0.6
76.88964	0.4
78.95890	2.0
89.02435	0.8
90.90040	0.3
92.73154	0.3
101.02483	0.5
110.98486	0.7
119.03485	0.4
136.70285	0.3
167.01071	0.7
170.24893	0.3
179.05495	0.5
197.19064	0.6
223.20706	4.9
225.22258	55.3
226.22577	0.8
243.92114	0.4
253.21736	1.2
271.22806	100.0
272.23077	2.6
283.26453	13.3
353.22949	0.5
451.28540	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	451.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22984	0.4
57.36947	0.3
58.94800	0.4
59.01385	100.0
61.98839	0.9
62.96402	0.5
63.63631	0.4
66.07926	0.3
77.23637	0.4
78.95912	1.8
79.55672	0.5
79.67467	0.4
81.03457	3.9
83.05025	15.2
92.83480	0.5
108.83462	0.4
114.38605	0.4
153.16252	0.4
199.47513	0.4
225.15045	0.6
245.89774	0.4
307.24158	0.9
357.17569	0.7
369.22818	0.7
389.27966	0.9
391.29712	42.3
392.30273	0.9
451.15970	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.13788	0.2
61.98848	0.4
62.96428	0.3
72.79369	0.2
73.92403	0.2
78.95889	3.5
80.96334	0.2
80.97468	0.5
81.03445	4.3
83.05021	16.8
94.55972	0.2
96.95963	0.3
107.03544	0.2
108.88397	0.3
116.92880	1.0
149.00209	0.3
161.63243	0.3
182.15477	0.3
189.26968	0.2
216.08899	0.3
240.19341	0.2
246.89243	0.2
307.23929	0.5
332.41959	0.3
357.17419	0.5
372.43250	0.3
387.18893	0.4
391.29712	44.5
392.30029	1.8
404.17117	0.3
407.95706	0.3
440.40808	0.3
451.15845	2.6
451.24985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66682	0.5
59.01385	19.3
62.41526	0.5
64.23927	0.6
71.01379	1.3
73.02945	2.5
73.56435	0.5
81.03455	8.4
83.05020	30.1
85.02917	0.9
92.12374	1.2
92.82986	0.7
96.82260	0.7
97.65414	0.6
101.02434	0.9
125.07184	3.4
143.08304	0.9
146.53833	0.7
167.10733	1.0
187.13354	1.3
207.15010	3.1
209.09566	0.8
224.17674	4.7
225.16104	11.7
242.18845	0.9
324.26495	1.4
333.23013	3.9
347.20630	1.1
351.23935	1.5
356.27274	0.9
364.68167	0.8
391.27032	11.0
392.27646	0.7
433.31943	7.8
451.32947	100.0
452.33304	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	452.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62832	0.2
55.52281	0.2
58.89505	0.2
59.01387	1.4
61.98831	100.0
71.01382	1.0
84.71177	0.2
85.02970	0.3
89.02444	0.5
91.01916	0.2
113.02468	0.4
119.92226	0.2
123.04520	1.0
138.49744	0.2
151.43034	0.3
167.03558	1.4
249.06197	0.9
289.10907	0.2
417.10330	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	452.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80165	0.1
61.98833	0.1
68.64852	0.1
74.94748	0.1
76.46816	0.1
78.95895	5.2
87.09426	0.1
107.07942	0.1
122.00131	0.2
130.55986	0.1
140.01189	2.0
140.89162	0.1
152.99547	0.5
196.03812	1.3
214.04865	2.1
235.18579	0.1
237.22163	0.3
242.93729	0.1
255.23299	100.0
256.23700	0.8
354.10095	0.1
393.19308	0.5
452.27856	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	452.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19447	0.3
61.12170	0.3
71.42001	0.3
75.89474	0.3
78.95894	19.8
91.58640	0.3
122.00131	0.7
140.01175	4.8
152.99564	1.7
196.03796	9.5
196.05583	0.3
207.67633	0.3
214.04924	1.6
255.23302	100.0
256.23602	1.3
284.66248	0.3
323.98990	0.4
452.27859	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2785
Annotation	Glycerophospho-N-Palmitoyl Ethanolamine
Peak:m/z	Relative Intensity
55.86367	0.2
56.64223	0.3
61.00810	0.2
61.98827	0.3
74.26889	0.2
77.93857	0.2
78.95907	100.0
81.73360	0.3
87.40633	0.2
96.09772	0.2
96.96956	8.2
140.01207	0.3
152.99579	15.4
171.00629	19.8
218.39392	0.3
231.55443	0.2
253.21738	0.5
254.22066	1.3
255.22409	1.0
329.05994	0.3
378.24405	2.0
378.32199	0.3
452.27844	49.9
453.28122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80883	0.5
60.89109	0.4
61.98829	100.0
67.21912	0.5
71.87307	0.5
78.95880	3.2
82.95409	0.6
103.70710	0.5
104.10707	0.5
105.55437	0.5
116.92870	0.7
117.00706	0.5
117.61833	0.5
122.34546	0.5
131.86609	0.5
147.49348	0.5
165.47638	0.5
218.06236	0.6
227.20187	7.0
253.76544	0.7
359.90045	0.6
375.93338	0.7
452.26785	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	453.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04139	1.1
55.00166	1.2
55.01881	1.3
57.03447	2.1
59.01382	28.8
59.75331	1.3
61.98824	9.5
64.59698	1.2
68.99815	2.3
69.03445	1.4
71.01385	24.6
71.38868	1.1
72.99300	7.0
73.02934	1.9
73.46546	1.2
75.00874	23.1
78.33186	1.2
83.01335	1.1
85.02940	23.8
87.00871	7.6
89.02444	8.2
90.68288	1.2
95.01382	6.2
99.00895	9.3
113.02449	25.9
115.00362	1.6
116.92812	1.2
117.01925	5.2
121.02950	100.0
130.34169	1.3
157.01387	1.9
203.12813	2.0
209.21631	1.3
231.05132	6.6
249.06166	68.3
268.23804	1.4
301.16840	1.3
319.23221	1.3
331.05252	2.2
371.09866	92.7
393.07852	17.9
453.19412	2.6
469.46585	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	453.1019
Annotation	Neurodazine
Peak:m/z	Relative Intensity
52.65327	0.2
53.06100	0.2
59.01374	0.6
63.61276	0.2
65.29991	0.2
69.23200	0.2
71.01393	0.4
78.95900	100.0
83.60374	0.3
84.04447	0.2
85.02966	0.3
110.89906	3.8
110.98527	84.7
113.02461	0.4
126.65121	0.3
149.08426	0.3
209.06644	1.1
225.97015	0.3
275.67224	0.3
453.09964	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	453.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	0.7
71.01379	9.8
81.98350	0.3
83.94630	0.3
84.93893	0.4
97.30985	0.2
98.02495	0.3
99.00890	0.6
99.92574	28.2
100.92668	0.4
100.93338	9.1
115.92064	100.0
116.78954	0.3
116.92845	67.5
117.92388	0.4
117.93678	0.3
126.94917	0.5
132.92369	0.6
137.61763	0.3
144.96005	1.3
149.29147	0.3
171.94690	0.5
172.17799	0.4
172.95456	31.6
231.97211	0.3
236.25885	0.3
270.80411	0.3
279.23370	3.2
368.70779	0.3
379.15973	0.5
395.15228	0.7
435.18326	0.7
453.19504	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	453.195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90382	0.1
59.01371	0.3
60.80462	0.1
61.98822	0.3
71.01395	0.2
73.51579	0.1
78.95896	0.2
84.18483	0.1
86.50219	0.1
97.06597	0.2
98.02464	0.1
99.00920	0.4
99.92583	6.5
100.93357	7.0
113.92612	0.2
115.92072	100.0
116.92086	0.9
116.92852	6.1
117.92498	0.2
132.92384	1.1
142.94493	0.3
152.04857	0.2
155.95171	0.3
172.95464	3.4
259.06451	0.1
272.14261	0.2
277.21719	0.3
279.23367	0.6
284.26807	0.3
379.15991	0.6
405.17581	1.0
409.27698	0.6
409.33350	0.6
414.85309	0.2
435.18170	1.0
452.66785	0.2
453.19580	4.6
454.19370	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.8
61.98824	1.2
68.99576	100.0
93.64021	0.6
100.37193	0.7
112.98562	78.8
163.11311	3.2
178.97661	0.8
339.23355	1.5
340.23914	0.8
394.06168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2647
Annotation	Lycium substance B
Peak:m/z	Relative Intensity
50.09910	0.3
53.07875	0.2
55.14867	0.3
64.34124	0.3
81.03393	0.4
85.48660	0.4
92.01450	0.3
95.04995	1.7
96.95974	1.5
109.02934	0.6
116.92793	0.6
123.04510	10.1
135.04515	11.5
137.02426	0.3
137.06068	0.7
138.03157	0.4
139.03918	0.3
151.03998	8.1
152.04791	12.6
153.05548	1.5
153.85179	0.3
154.94737	1.2
161.06047	0.5
163.04045	0.4
165.05510	3.1
172.95815	0.6
177.05592	1.1
177.09143	0.3
178.02750	0.8
178.06352	0.6
179.03496	20.4
180.04288	7.1
181.05042	0.3
188.04875	0.6
189.05556	6.0
190.06331	1.5
191.03516	1.6
191.07118	1.5
192.04364	0.4
202.06339	0.4
203.07132	5.4
204.07904	0.5
205.05077	14.8
205.08783	0.6
206.05846	51.1
207.02942	2.9
207.06236	1.2
217.05002	0.3
217.08667	0.3
219.03012	1.5
219.06578	3.2
219.32362	0.3
220.03723	0.3
220.07411	1.3
229.08762	0.4
231.06450	0.3
233.04543	7.6
234.05272	3.6
235.06104	5.4
239.10469	0.4
245.08211	1.8
247.06126	0.6
257.11823	1.6
259.09784	0.5
272.14304	2.2
279.23364	2.3
289.27548	0.3
301.10669	0.5
316.13181	0.7
348.12515	0.6
363.21393	0.3
394.25095	0.6
409.27383	2.0
410.24518	0.4
425.27087	6.3
438.24115	0.5
453.26508	100.0
454.26718	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	453.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89330	0.3
53.47566	0.3
55.01887	2.0
57.03458	2.6
59.01385	100.0
60.01705	0.5
61.98833	23.9
62.11133	0.4
69.03403	0.5
70.26466	0.5
71.01375	15.6
71.01752	0.6
73.02945	7.5
75.00870	3.0
75.35236	0.4
80.67624	0.4
82.95428	1.0
83.01376	3.7
83.23142	0.5
85.02950	11.9
87.00871	0.7
89.02433	3.4
92.11773	0.5
95.01405	1.9
96.96003	0.6
99.00883	2.6
101.02431	13.4
109.02959	0.5
111.00900	2.2
113.02454	7.4
116.92877	0.9
119.03539	0.9
143.03523	0.7
159.03012	0.9
159.94223	0.5
161.04538	4.6
166.20061	0.5
173.11922	0.4
197.48042	0.5
231.19766	0.8
290.63297	0.5
331.25046	0.7
393.24841	53.1
394.25616	1.7
453.19699	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	453.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.1
57.65322	1.5
59.01374	11.0
61.98835	3.0
63.72662	1.6
72.04534	7.6
83.05007	2.6
95.05000	7.8
100.04032	12.2
109.06641	2.2
124.07657	9.7
133.06587	4.5
138.05605	2.9
152.07222	3.5
160.83058	1.7
164.07127	4.6
173.09282	21.7
176.80618	2.0
196.09772	7.9
208.09789	3.7
225.12491	25.3
237.12419	7.3
245.19139	19.3
375.26550	100.0
376.26981	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	454.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62738	0.1
59.01361	0.2
59.29354	0.1
59.90041	0.1
61.98831	100.0
68.02005	0.1
69.42619	0.1
75.51583	0.1
78.04176	0.1
78.95908	0.1
83.05044	0.2
87.07034	0.1
96.96046	0.1
99.92568	0.9
107.19990	0.2
113.02338	0.1
116.92835	8.0
117.92881	0.5
118.87527	0.1
124.13547	0.1
147.42618	0.1
207.06468	0.1
393.28394	0.2
394.28610	0.5
425.08771	0.1
454.16507	0.2
454.29221	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43038	0.1
59.01383	1.0
61.98833	100.0
64.80818	0.1
65.12521	0.2
71.01407	0.3
73.61156	0.1
88.32561	0.1
96.96008	0.6
99.92561	0.3
101.02448	0.2
115.92113	0.8
116.92848	3.7
120.13201	0.2
153.71574	0.2
158.10878	0.2
167.03491	0.2
180.49930	0.1
276.52481	0.2
297.39929	0.2
455.03210	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42879	0.3
59.01378	2.2
61.98830	100.0
78.95901	1.9
96.96006	0.4
157.06053	0.4
159.85460	0.4
246.85864	0.4
454.25848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24666	0.1
59.01389	0.9
59.97447	0.1
61.98833	100.0
84.38883	0.2
97.84933	0.2
108.35772	0.2
121.02994	0.2
319.97876	0.2
335.19345	0.2
364.25165	0.2
393.30002	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83804	0.7
71.75105	0.9
75.50893	0.8
91.58819	0.7
92.11679	0.8
96.56614	0.9
98.75618	0.8
139.92139	0.8
151.11259	0.8
245.58063	0.8
335.33228	35.2
381.33777	100.0
405.63083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
57.03453	0.7
58.00602	0.7
59.01389	31.6
59.01688	1.0
59.63820	0.5
61.98841	0.7
69.03461	0.9
70.58998	0.4
71.01383	27.1
72.99287	0.6
73.02956	7.4
83.01381	3.1
85.02937	7.7
85.06590	24.7
85.07106	0.9
87.00883	5.7
89.02441	24.4
95.01363	1.2
97.02934	0.9
99.00876	2.4
101.01753	1.0
101.02431	24.0
113.02441	9.0
113.06065	1.1
115.07621	2.1
119.03490	8.0
127.07647	2.0
128.03511	0.6
131.03477	5.2
131.07126	66.2
139.00368	0.7
143.03500	2.1
159.02969	0.9
161.04561	7.9
169.05011	0.7
179.05627	5.1
214.99974	0.5
221.06671	8.6
257.25949	0.7
293.12393	5.0
313.21756	0.6
338.31964	0.5
455.17746	100.0
456.18176	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	455.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27752	0.1
59.01375	0.2
60.15749	0.1
61.98832	0.2
72.37981	0.1
89.59557	0.1
92.11649	0.2
99.49899	0.1
99.92576	6.6
100.92733	0.2
100.93352	6.2
100.94013	0.3
101.90102	0.1
103.72915	0.1
109.06634	0.6
113.92645	0.2
115.92071	100.0
116.92081	2.0
116.92857	7.0
132.92424	1.1
142.94426	0.2
155.95277	0.2
172.95471	3.1
230.82083	0.1
267.75876	0.1
270.01770	0.1
279.23297	0.1
281.24890	1.0
301.25757	0.2
381.17398	0.3
397.17050	0.2
407.19150	0.6
419.31723	1.1
437.20453	0.3
455.21179	4.4
455.31711	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89896	0.2
58.55054	0.2
59.01374	0.6
61.54103	0.3
63.95086	0.3
65.48454	0.3
69.42454	0.3
78.95902	22.4
88.68044	0.3
91.50670	0.3
91.53825	0.3
96.96940	1.5
109.48101	0.3
116.92834	0.4
117.92864	0.3
131.23222	0.3
152.99597	30.7
160.68167	0.3
171.00636	1.7
227.03299	3.7
227.20184	100.0
228.20554	1.9
245.04453	0.5
297.15396	0.4
363.19547	0.4
455.24216	47.1
456.24551	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	2.6
61.98846	0.8
65.65858	0.6
78.95905	21.9
96.96942	1.0
123.63377	0.7
128.04659	0.7
152.99586	34.3
183.01247	1.1
227.03160	3.0
227.20180	100.0
245.04233	0.9
274.11121	0.7
455.24210	39.3
456.24506	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	455.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.2
59.65229	0.1
61.98837	100.0
63.55194	0.1
64.07690	0.1
88.94198	0.1
130.08723	0.8
170.53282	0.1
175.82227	0.1
226.87143	0.1
229.83012	0.1
272.73969	0.1
275.49881	0.1
389.07477	0.1
392.31921	0.7
395.29358	0.2
411.32840	0.7
455.32144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3171
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
54.75187	0.7
59.01379	1.2
61.98818	3.8
63.77620	0.6
65.85941	0.8
87.99303	0.8
99.26440	0.8
107.05026	26.9
109.06586	100.0
110.06930	0.8
116.07160	1.3
116.92874	1.0
227.20175	15.4
228.31360	0.8
239.14497	0.8
272.59464	0.8
301.25391	32.2
353.28525	10.5
355.30118	1.9
379.30023	1.3
393.31802	4.5
409.31131	7.7
411.33060	6.8
455.31726	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39464	0.4
53.24955	0.5
55.91302	0.4
57.59048	0.4
59.01350	3.2
61.98796	0.7
76.92041	0.5
77.05302	0.5
81.03444	0.7
92.12339	0.9
97.49929	0.5
99.61620	0.6
107.05022	17.5
107.05704	1.0
109.06586	100.0
115.92137	0.5
123.04535	3.0
135.04509	5.5
151.04095	3.0
152.04875	2.2
153.05603	1.0
179.03511	6.7
180.04314	0.6
181.05061	5.8
191.07199	0.6
192.04485	0.7
193.05151	0.6
207.03104	2.1
218.05734	0.8
235.06393	0.6
274.41443	0.6
279.23575	2.3
284.87250	0.6
301.25388	23.9
353.28897	0.7
355.30600	2.7
381.31827	1.1
393.32211	2.2
411.32803	11.0
429.33780	5.4
455.32486	51.9
470.00827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34058	0.4
57.03466	1.0
59.01390	0.7
61.98795	0.6
69.03453	8.5
71.05021	0.7
80.02710	0.5
84.63433	0.5
93.03456	0.8
95.47298	0.4
97.27724	0.4
107.05025	2.6
109.06580	38.0
114.75486	0.5
115.92075	2.3
117.70671	0.5
137.06133	0.9
143.94762	0.5
169.10333	0.6
189.26265	0.5
201.12920	0.8
213.12886	1.0
223.11334	0.7
241.12335	5.6
323.27417	2.9
337.21854	0.7
337.25418	0.7
339.26953	4.1
349.29108	0.8
353.28543	20.4
355.30106	21.5
365.28601	1.0
367.30142	5.6
375.26984	0.8
377.28494	5.7
383.29044	5.1
383.33856	3.8
393.27963	3.5
393.32370	0.9
395.29553	43.5
396.29785	0.7
409.31274	5.6
411.32706	100.0
412.32910	2.1
455.31711	52.4
456.31839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3535
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
56.66288	0.5
59.01377	1.0
60.09348	0.5
61.98825	1.0
64.02078	0.5
65.82135	0.5
67.58263	0.5
86.39574	0.6
99.92564	0.8
116.92848	4.0
410.32315	0.6
417.57520	0.6
455.35394	100.0
456.35706	3.3
482.62558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	76.3
61.98838	100.0
62.48348	9.1
87.00883	16.0
99.92549	27.0
116.92865	71.2
119.94715	25.2
135.16740	11.0
188.35168	9.9
200.48813	12.5
217.00291	51.8
219.80846	10.4
229.39722	13.0
241.85680	10.5
257.08640	12.1
267.90131	11.7
300.06589	16.7
336.21011	24.9
368.20001	57.7
374.99475	13.2
396.23141	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49603	0.2
59.01380	5.4
61.13120	0.2
71.01377	50.7
71.05048	0.2
72.01693	0.3
72.99302	0.4
73.02952	0.3
74.02464	0.3
78.95882	0.4
85.02935	0.6
87.00871	3.3
89.02436	5.0
91.17052	0.2
101.02426	2.5
104.14543	0.3
104.25920	0.2
113.02452	1.7
114.02022	0.3
114.05573	0.4
114.93411	1.4
115.00359	100.0
116.03551	0.5
116.07162	0.3
119.03480	1.6
122.82721	0.3
133.01414	5.9
134.01825	0.3
143.03517	0.3
161.04553	1.0
179.05600	1.6
341.10895	6.1
355.68347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42782	0.1
53.36668	0.1
53.74687	0.1
59.01390	1.2
60.17033	0.2
78.58272	0.1
79.95730	2.5
84.31570	0.2
92.11786	0.2
92.65427	0.2
96.96001	100.0
124.07178	0.2
158.68445	0.2
229.37355	0.2
259.26117	0.2
454.54642	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.9
57.03445	0.7
58.00591	3.8
59.01382	100.0
61.98823	1.1
63.47429	0.4
71.01376	86.3
72.99297	4.0
73.02937	1.0
73.98582	0.5
78.10533	0.4
83.01394	3.4
85.02946	8.3
87.00866	3.7
87.47880	0.5
89.02432	94.8
95.01366	3.6
101.02436	20.7
113.01693	1.0
113.02433	16.6
114.39110	0.6
114.67444	0.4
116.92850	0.9
119.03472	9.7
131.03479	2.2
139.04018	3.8
143.03470	4.3
143.04422	0.4
149.04543	3.5
161.04558	5.5
179.05623	19.3
188.43314	0.6
218.17062	0.5
244.22064	0.4
255.23131	0.5
277.21701	21.3
343.78299	0.5
359.21707	1.0
448.84830	0.6
457.29126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2965
Annotation	CHEBI:68037
Peak:m/z	Relative Intensity
52.54203	0.4
53.31355	0.5
54.19679	0.5
55.01661	0.5
55.01878	6.6
57.03454	0.7
59.01364	2.9
61.98818	2.3
64.34704	0.5
68.82410	0.7
68.99803	0.6
71.04990	0.8
81.03469	0.6
83.05009	0.6
83.19359	0.5
91.50496	0.6
93.03454	0.9
93.24258	0.5
95.05003	2.8
99.04495	0.8
109.06593	4.6
111.00780	0.5
111.04510	5.5
111.89362	0.6
121.02907	0.5
123.00876	1.1
123.04495	0.7
124.01659	10.6
125.02395	3.3
127.04018	0.7
137.02420	4.7
138.03197	2.1
139.04004	100.0
151.04007	12.2
151.07599	3.6
153.01883	0.6
153.05559	0.8
154.02681	0.8
155.03473	1.2
167.03384	2.9
181.05000	1.0
195.06581	0.7
255.23273	0.7
262.83405	0.6
277.14465	0.8
286.67465	0.7
401.26660	1.1
413.30444	2.4
415.28522	6.3
457.29492	42.4
458.29596	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	457.3325
Annotation	Fruticoside B
Peak:m/z	Relative Intensity
50.51503	0.8
53.54365	1.0
59.01382	1.6
74.24102	0.9
90.62356	0.9
97.12713	1.0
99.10757	1.0
107.05029	25.3
109.06584	100.0
137.02422	0.9
139.04001	1.9
151.12166	1.1
164.14824	1.0
169.08685	1.3
303.26990	30.8
355.30103	9.4
357.31561	3.7
395.33206	6.9
411.27438	1.4
411.32477	9.9
413.34412	6.4
421.31210	2.3
431.35217	1.6
446.68796	1.0
457.33331	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.333
Annotation	Platanic acid
Peak:m/z	Relative Intensity
52.44386	0.3
55.01874	0.6
59.01381	0.5
61.98835	0.4
69.03442	0.6
75.00831	0.3
95.05011	0.7
107.04284	0.4
107.05024	16.1
109.06583	100.0
110.06930	0.4
111.04502	0.5
124.01625	0.7
139.04008	12.6
167.03447	3.0
243.01227	0.3
303.26956	27.1
355.30093	2.4
357.31812	3.1
383.33365	1.5
395.28906	0.5
395.33380	2.9
397.31030	0.4
411.32574	0.4
413.34351	11.3
431.35336	6.1
457.33392	61.6
458.33820	2.7
472.48090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3328
Annotation	Platanic acid
Peak:m/z	Relative Intensity
51.95785	0.3
57.03409	2.1
59.01362	0.7
68.99554	0.5
69.03443	7.0
70.47691	0.4
71.04970	0.5
71.05341	0.4
78.43773	0.4
93.03418	1.9
95.04983	0.8
107.04987	2.5
109.06567	39.4
121.02875	0.6
130.08727	0.7
137.06018	1.0
173.05952	0.8
173.09547	0.5
220.47951	0.4
225.23843	0.5
250.08643	0.5
259.91653	0.4
265.87372	0.5
281.58823	0.5
293.24857	0.8
325.29025	3.4
341.28525	4.7
351.30368	1.6
353.28287	0.6
355.30066	18.6
357.31659	20.9
367.30225	0.9
369.31638	7.5
379.30118	8.0
383.33401	0.7
385.30588	4.8
385.35513	4.2
387.29163	0.5
395.03799	0.5
395.29190	4.4
395.34052	1.2
397.31137	53.2
411.32904	4.3
413.34280	100.0
414.34564	0.8
457.33307	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18293	0.6
56.23846	0.7
57.03455	36.5
59.01382	30.6
59.36671	0.7
61.98833	100.0
71.01376	11.6
71.43034	0.7
73.02941	3.5
82.95407	0.8
83.01394	0.9
85.02953	4.7
89.02430	3.9
95.01378	1.1
99.04513	25.1
101.02438	15.5
113.02453	5.2
119.03461	1.1
125.02449	11.8
127.93246	0.8
128.03494	0.9
130.08759	0.8
134.04678	2.8
143.03516	1.7
143.04636	1.2
153.01901	0.9
161.04546	8.6
174.67609	0.8
251.11369	18.3
293.12466	10.9
333.15720	1.8
388.73276	0.8
395.15591	27.4
450.40710	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67680	0.4
53.09723	0.5
54.83018	0.4
56.42516	0.5
59.01387	4.7
60.00906	61.9
61.98824	1.1
63.81010	0.4
70.26880	0.4
72.73717	0.4
80.73611	0.5
107.24718	0.6
109.84471	0.6
111.67415	0.5
116.92839	3.8
136.47351	0.5
147.08199	3.2
149.09705	1.0
158.46574	0.5
161.09683	1.0
163.11316	3.2
170.00392	0.5
181.19319	0.5
182.32829	0.7
187.11252	2.9
205.66626	0.6
265.12271	0.6
279.13910	0.8
280.14743	0.9
307.17230	0.7
309.22253	3.8
337.21765	100.0
338.22089	2.7
458.23700	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34179	0.3
58.03271	0.3
59.01389	3.1
59.21837	0.3
63.17325	0.3
67.55267	0.3
71.01371	2.7
73.02947	4.3
78.95882	0.8
89.02420	2.2
90.68789	0.3
93.88152	0.3
99.92567	6.9
101.02418	0.6
113.02457	0.7
115.00387	2.6
116.07167	1.9
116.92850	100.0
117.01939	6.9
117.92857	0.5
119.03501	0.8
133.01437	2.9
179.05630	0.6
201.77846	0.4
341.10852	2.9
342.11469	0.7
462.52170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31279	0.3
58.66114	0.3
59.01376	2.6
71.01377	3.1
72.99281	0.4
73.02942	2.4
74.33883	0.4
78.95896	0.6
89.02413	3.4
97.96760	0.4
99.92594	5.1
101.02419	0.7
113.02386	0.7
115.00370	4.1
116.07175	2.6
116.92845	100.0
117.01920	3.8
130.73015	0.4
132.22009	0.4
133.01440	4.9
163.69072	0.4
179.05661	0.6
190.01285	0.4
285.91156	0.5
296.21030	0.5
341.10965	3.2
352.50092	0.4
409.31439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38792	0.1
52.39960	0.1
54.29724	0.1
55.01886	0.2
59.01389	1.1
71.01385	1.2
73.02944	55.9
84.36347	0.1
85.02954	0.2
89.02439	1.0
99.00874	6.9
99.01502	0.3
115.00342	0.9
116.03557	0.2
116.07174	0.5
116.92857	9.1
117.01932	100.0
117.92809	0.2
118.02326	0.6
118.05094	0.2
119.03452	0.2
133.01375	1.0
173.55388	0.2
234.10400	0.2
273.07736	0.2
341.10889	0.7
342.11273	0.7
451.65173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82838	0.2
59.01381	0.8
68.99764	0.2
69.05639	0.2
71.01377	1.1
73.02943	54.9
78.95978	0.2
85.87908	0.2
99.00859	6.8
99.92576	1.1
100.20561	0.2
100.75419	0.2
101.02403	0.2
115.00362	1.1
116.92843	20.2
117.01925	100.0
117.92849	0.9
118.02275	0.5
130.94873	0.2
147.20560	0.2
150.04239	0.2
185.84740	0.2
210.20486	0.2
217.48804	0.3
305.84213	0.2
342.59628	0.2
378.23111	0.2
381.27432	0.2
399.14972	0.3
420.97662	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
57.03455	7.9
58.00609	0.7
59.01386	29.2
60.08104	0.4
67.98869	0.4
68.99555	1.0
69.03461	0.7
71.01382	31.8
72.99296	5.6
73.02929	2.0
75.00870	28.1
83.01378	3.0
84.02165	0.6
85.02950	37.4
87.00872	7.8
88.38860	0.4
89.02442	13.5
93.69962	0.4
95.01371	4.4
96.96006	0.7
97.02943	0.8
99.00879	8.8
99.04507	0.4
101.02439	5.7
108.02155	2.1
109.02943	5.2
111.00890	0.9
112.98541	0.9
113.02441	27.2
115.00322	2.3
116.92823	2.2
117.01947	2.2
119.03490	3.1
129.01915	0.6
131.03477	1.9
152.01135	2.3
153.01929	3.8
155.74248	0.5
173.04512	2.9
175.02475	1.9
315.07330	0.6
357.08530	0.7
409.08066	0.5
411.23917	0.5
459.15158	100.0
460.15726	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	459.1512
Annotation	Paeonolide
Peak:m/z	Relative Intensity
57.03443	1.1
59.01384	51.9
61.98827	1.2
71.01378	16.4
72.99299	1.4
73.02940	4.3
80.96471	0.8
83.01379	1.0
84.95111	0.8
85.02928	6.6
85.72838	0.6
87.00877	1.0
89.02441	17.2
93.03428	6.2
95.01375	1.0
96.95995	3.1
99.00873	8.6
99.04526	0.9
101.02432	8.8
108.02142	1.1
108.93667	0.6
109.02930	0.8
113.02431	7.7
116.92866	2.6
119.03484	5.2
121.06602	7.0
125.06084	1.0
137.02441	0.7
137.06149	0.8
150.03268	9.0
152.01135	0.8
153.01891	0.7
159.08179	1.4
161.04538	1.4
165.05565	100.0
175.11264	8.2
177.09239	1.6
179.05603	2.9
185.06062	1.3
186.06856	1.2
189.09424	0.7
201.09271	9.2
203.07214	0.9
204.07941	2.7
207.06665	1.2
219.10243	11.1
237.11368	1.7
248.58656	0.7
327.10901	2.3
329.08401	0.7
399.16641	17.8
459.15192	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58810	0.5
58.86807	0.6
59.01385	100.0
61.33962	0.6
61.98851	0.8
65.79230	0.6
71.01372	2.7
74.54272	0.6
81.59561	0.6
82.95382	0.6
85.02944	1.3
89.02431	1.0
96.95982	1.0
99.92578	3.9
101.02418	1.5
108.55306	0.6
109.02931	1.4
113.02410	1.0
114.25497	0.6
115.92078	1.4
116.92853	37.8
117.92856	2.4
130.08754	0.9
137.09822	0.6
137.54027	0.8
139.07629	3.5
153.01923	2.7
161.04514	1.1
194.48164	0.6
229.01498	0.8
231.85471	0.7
289.30298	0.8
357.15564	1.5
366.95697	0.7
399.16678	3.8
411.57211	0.7
444.96521	0.6
459.19064	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99554	0.2
59.01387	100.0
59.56076	0.2
60.01706	0.3
71.01396	2.8
73.02939	1.8
73.71772	0.2
78.06799	0.2
85.02976	0.5
89.02441	2.6
95.01384	0.3
101.02457	2.1
101.10781	0.2
113.02472	1.2
116.31646	0.2
119.03517	0.4
161.04654	1.1
162.21463	0.2
177.09332	0.3
195.10410	0.9
280.68701	0.2
337.33148	0.3
339.14828	0.6
357.15485	3.0
370.64548	0.2
399.16608	5.4
406.06876	0.3
459.18820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.3
59.01384	100.0
60.01729	0.3
61.98838	0.4
62.33730	0.2
71.01381	2.7
73.02944	0.3
77.52662	0.2
78.93380	0.2
78.93990	0.2
83.01379	0.4
85.02978	1.1
86.44881	0.2
86.48311	0.2
89.02432	1.6
96.96018	1.3
99.91441	0.3
99.92596	0.4
101.02438	1.7
109.02929	0.4
113.02412	2.0
116.92850	7.7
117.92896	0.4
137.09668	0.4
153.01971	0.5
161.04565	0.8
177.09248	0.3
195.10265	0.9
255.31418	0.3
339.14560	1.2
357.15640	1.6
399.16541	7.1
401.18271	0.4
455.12006	0.2
459.18948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03447	2.6
58.00586	2.1
59.01386	100.0
61.98814	1.7
71.01382	44.2
73.02953	2.9
75.00879	1.5
80.96513	2.8
83.01371	2.3
84.95154	1.5
85.02952	14.7
87.00846	2.4
89.02436	42.4
93.03426	7.1
94.62992	1.1
95.01388	1.3
96.95984	5.2
99.00864	7.3
99.04485	1.9
101.02429	22.6
108.02114	2.1
109.02977	1.3
113.02457	15.1
116.92830	6.4
119.03490	15.9
121.02942	1.4
121.06564	6.3
125.06049	2.1
137.06062	6.4
139.03992	3.0
150.03227	16.3
152.01114	1.6
159.08144	5.9
161.04567	2.8
165.05566	82.0
168.63945	1.2
170.90431	1.3
175.11273	24.6
177.09160	8.2
179.05650	5.8
179.10663	1.2
181.08647	5.6
185.06078	8.1
186.06790	2.7
201.09190	27.1
203.07170	2.5
204.07922	7.5
204.85767	1.2
207.10384	2.0
219.10268	35.3
232.81902	1.3
237.11319	6.5
239.02791	1.4
261.10867	1.4
327.10684	2.3
381.15881	1.6
399.16672	58.7
417.17740	1.5
434.62997	1.5
459.15207	52.1
460.15848	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	459.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	52.7
61.98817	48.3
106.28307	8.9
116.92824	100.0
145.06178	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	459.2757
Annotation	Stypohydroperoxide
Peak:m/z	Relative Intensity
52.86456	0.1
54.18337	0.1
54.82521	0.2
55.23186	0.1
56.08898	0.1
59.01372	0.3
61.98849	0.1
63.83366	0.1
64.77718	0.1
92.11746	0.2
105.03439	0.2
106.04221	0.1
116.92837	1.7
117.03457	1.8
121.03021	0.2
123.04507	0.3
132.02156	1.1
133.02939	29.3
134.03738	3.1
135.04512	10.4
135.05545	0.3
137.02428	1.4
139.04063	0.6
148.05351	0.3
161.02434	100.0
162.02814	0.7
178.02736	0.2
179.03471	2.4
182.19458	0.2
279.23206	0.2
297.24350	11.8
306.73660	0.2
373.27689	0.7
441.26468	2.3
459.27539	42.5
460.27911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2909
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
59.01384	0.2
64.49171	0.1
71.01382	0.1
75.96827	0.1
76.57886	0.1
107.05023	28.9
108.05389	0.1
114.98485	0.1
116.92839	0.8
121.06553	0.1
123.04544	0.1
147.08167	0.5
163.11284	100.0
164.11638	0.6
173.43907	0.1
225.68704	0.1
238.09964	0.4
265.12241	0.1
267.17532	0.1
280.14658	0.5
283.17041	22.6
284.17343	0.2
295.17044	13.2
459.29086	62.4
460.29315	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72679	0.4
55.01880	2.7
57.03450	0.9
58.00593	3.0
58.96972	0.4
59.01383	100.0
61.98831	1.2
62.52618	0.4
71.01377	86.7
72.99303	3.8
73.02956	0.9
83.01386	2.1
83.05002	0.9
85.02946	7.5
87.00874	2.4
89.02434	92.9
90.02769	0.6
95.01409	3.0
101.02432	19.7
101.03063	0.8
107.05008	2.0
113.02444	17.1
113.06111	2.4
116.92867	2.1
119.03483	10.7
125.09738	0.9
131.03531	3.0
132.79605	0.5
143.03445	4.4
149.04562	2.0
161.04520	5.7
163.11276	4.0
169.08772	1.1
179.05586	18.7
179.06970	0.8
230.90092	0.5
244.02992	0.5
279.23276	26.5
280.23563	0.7
283.17215	2.4
283.86346	0.5
289.25510	2.1
291.27008	0.9
300.82831	0.6
339.23575	0.5
361.23672	0.6
415.32315	0.7
459.35312	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	459.312
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
59.01394	1.0
61.98820	1.4
62.10848	0.9
68.99800	1.2
83.05009	1.2
87.74132	0.9
92.11700	4.0
94.96522	1.0
103.54794	1.0
109.02921	6.5
116.92844	10.9
121.27027	0.9
122.03713	2.3
122.59737	1.1
123.04564	1.2
125.77409	1.0
164.72932	1.0
207.91762	1.0
229.12402	4.1
255.13889	6.6
265.21722	5.9
273.14838	1.3
355.29984	6.0
397.31100	64.9
398.31595	1.3
415.32211	100.0
416.32291	3.8
459.31131	87.8
460.31311	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	459.3119
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
57.37200	0.8
58.20121	0.9
61.94805	0.9
61.98825	5.6
64.20203	0.9
69.03159	0.9
69.03469	14.3
69.52592	1.0
71.01366	1.6
74.34351	0.7
83.05029	100.0
89.02432	1.1
95.04967	1.2
101.42906	0.9
114.35336	0.9
116.92847	10.5
117.92854	1.4
119.81604	0.8
123.04522	2.2
125.06075	44.8
205.34599	1.0
282.31619	1.0
296.83490	0.9
303.09760	1.1
341.28281	4.3
343.30051	15.8
369.31775	1.3
397.31073	1.0
413.30423	3.8
415.32220	55.1
416.32291	1.7
459.31046	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3119
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
57.01887	0.3
57.03450	0.4
58.04325	0.3
59.01382	1.4
61.98829	0.4
64.71379	0.3
69.03452	8.1
69.64233	0.3
71.04993	0.5
80.02671	1.9
81.03438	0.5
83.05020	0.5
91.05502	0.7
92.12432	0.4
93.03439	0.6
98.35964	0.3
99.04498	0.3
106.65253	0.3
107.05007	6.5
109.06579	100.0
110.06870	0.5
113.06026	0.3
116.92867	5.4
117.92794	0.4
123.04523	1.5
124.33846	0.4
137.06068	1.3
179.07140	1.9
196.31488	0.3
303.27020	4.0
316.41537	0.4
325.29031	1.7
327.27057	1.4
341.28537	3.9
343.30072	47.7
344.30515	0.8
345.28033	1.3
354.16095	2.4
355.30096	0.6
365.23117	0.4
369.31738	2.2
371.33234	19.8
372.33371	0.5
379.30069	1.5
389.20520	0.3
397.31140	13.7
399.21899	0.4
415.32211	54.3
416.32501	1.9
459.31189	91.7
460.31613	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	461.1097
Annotation	Leucanthoside
Peak:m/z	Relative Intensity
57.47593	0.2
59.01364	1.2
66.61600	0.2
71.01385	0.5
72.34599	0.2
79.01890	0.3
95.70279	0.2
108.02207	0.3
116.92831	0.5
121.02931	1.5
132.02161	0.3
133.02931	3.8
134.03717	4.3
135.00890	0.4
136.01697	0.4
137.02385	0.3
151.67253	0.2
161.02394	1.9
162.03224	0.4
163.00360	4.4
164.01183	0.6
165.01884	1.4
189.01826	0.9
191.03531	0.3
197.06151	0.5
201.01875	0.6
201.05569	0.3
202.02744	0.6
204.41370	0.2
208.61557	0.3
211.04059	0.5
213.05620	0.6
214.06303	0.4
220.32574	0.3
225.05586	1.6
227.03563	0.6
229.05005	0.4
241.05080	1.8
242.05792	0.4
253.05083	2.3
255.02945	2.6
256.03723	0.3
268.03784	0.3
269.04550	4.4
270.05331	2.1
284.03305	2.4
285.04034	1.9
296.03452	1.8
297.00610	0.6
297.04053	22.9
298.04840	100.0
299.05463	4.7
302.07938	0.3
308.03049	0.3
309.04108	7.3
310.04941	2.2
311.05624	2.1
312.06433	0.5
313.03757	0.7
313.07175	7.1
323.05734	0.5
324.02878	0.4
325.03577	1.6
325.07092	0.5
326.04376	2.0
327.04941	0.5
328.57767	0.3
330.03885	2.3
337.03580	1.2
338.04422	0.6
339.04953	0.5
341.06683	61.6
342.07050	1.4
344.05304	1.3
353.06702	5.1
356.05307	1.1
371.07718	18.7
383.07880	1.3
443.10043	1.3
461.10941	46.8
462.11316	1.1
463.00769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52937	0.5
51.92808	0.6
53.96842	0.6
55.01866	0.9
57.03461	1.1
58.99338	1.2
58.99610	18.3
59.01383	14.1
60.99298	1.2
61.14989	0.7
61.98828	2.8
71.01376	16.4
72.99293	1.4
73.02927	4.9
74.99078	1.2
75.00867	29.3
77.30123	0.6
83.01388	0.7
85.02946	7.8
87.00862	14.8
88.95952	0.7
88.98794	9.4
89.02443	5.5
95.01343	0.8
96.95956	1.1
99.00883	1.8
101.02445	9.1
102.98586	100.0
113.02425	5.7
119.03454	1.2
121.02959	1.1
133.02869	1.0
150.03226	12.1
153.01959	0.9
161.04532	6.0
162.03235	6.8
165.05585	9.0
168.04254	1.3
176.04366	0.8
177.05568	4.7
179.05550	0.9
183.06659	0.8
185.82582	0.6
198.49567	0.7
198.93913	0.7
211.04306	1.2
219.61966	0.6
231.51683	0.8
249.06140	7.0
283.04944	68.0
395.21747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.2
57.03442	5.2
59.01384	81.7
61.98825	2.0
71.01381	51.3
72.99290	1.0
73.02940	13.9
75.00851	5.4
83.01374	4.8
85.02946	33.4
87.00861	4.6
87.04524	1.7
89.02438	26.2
92.12303	1.1
95.01376	4.8
96.96008	14.1
97.02905	4.0
99.00842	5.0
101.02442	26.7
105.00230	1.0
108.05814	1.6
109.06547	1.5
113.02444	23.1
113.06048	1.8
116.92796	1.1
117.97317	1.6
119.03493	12.8
121.06537	1.1
123.04524	1.1
123.08137	1.3
125.06048	2.0
136.05258	2.5
137.06091	1.4
138.06851	25.7
139.07637	2.5
151.07654	21.2
152.08421	8.8
153.09215	100.0
159.03006	1.5
161.04536	15.0
161.09737	1.3
165.09219	18.8
179.05621	6.0
179.10791	2.0
203.10815	5.6
206.09529	8.5
221.11836	39.5
239.12900	53.6
239.15392	1.8
249.09898	1.2
271.80151	1.1
374.87683	1.2
401.18250	13.5
425.16687	16.8
461.16696	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	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	14.0
59.01115	4.2
59.01387	100.0
61.98840	43.9
69.54729	2.8
71.01384	60.9
73.02946	7.0
85.02970	23.1
87.00858	3.8
89.02442	38.0
96.95993	16.7
99.00855	4.9
101.02429	28.2
113.02449	26.5
113.60457	3.0
116.92835	4.6
119.03472	5.1
123.04514	2.9
123.08172	11.1
129.38724	2.9
135.04558	3.7
138.98727	3.1
143.03578	3.9
149.63824	2.9
151.07635	25.9
161.04558	15.8
161.09698	5.1
163.07646	17.7
165.00119	12.2
167.01698	4.3
168.07854	3.0
177.09258	3.5
179.05608	16.7
179.10732	20.6
181.03236	4.0
188.08444	4.0
196.02007	5.7
197.02858	3.1
202.55586	2.8
203.10825	56.9
211.04385	22.6
221.06615	4.1
221.11861	76.4
349.11591	3.4
373.09637	14.1
401.18256	5.5
425.16675	12.3
425.27502	4.2
461.16742	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	461.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	19.9
59.01109	2.2
59.01385	59.1
59.93425	1.6
62.05021	1.7
67.91379	1.7
68.11484	1.5
69.03442	2.0
71.01376	4.0
71.05002	4.9
72.21400	1.8
73.02928	13.5
75.00842	2.9
83.05031	9.0
83.42944	1.8
87.04518	4.8
92.54915	1.8
95.05020	2.9
97.23129	2.0
108.16660	1.8
111.08154	10.8
127.07652	2.0
135.08136	2.2
155.14359	2.5
197.15497	16.2
213.18593	27.3
251.20158	3.8
253.21657	7.8
274.85925	2.1
279.23318	20.1
297.24307	13.6
353.60745	2.2
357.26474	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	461.276
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55031	0.3
59.01391	3.9
61.98834	0.7
62.44172	0.4
65.68996	0.4
71.44075	0.4
71.86954	0.4
75.00875	100.0
75.58949	0.3
88.13728	0.4
246.84982	0.5
264.25314	0.6
264.28229	0.5
292.48541	0.5
369.24976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.0
58.00599	2.0
59.01384	100.0
61.98832	6.2
71.01381	82.7
72.99294	4.5
73.02958	1.2
75.92638	0.9
78.95905	5.2
79.95714	1.5
83.01389	1.7
85.02943	9.3
87.00847	1.7
89.02438	87.3
95.01373	1.4
101.02422	19.8
113.02441	17.8
119.03462	7.2
131.03511	1.0
143.03473	4.1
149.04553	1.5
152.99583	3.7
154.71858	0.9
161.04559	5.2
165.22574	0.9
179.04048	2.2
179.05576	14.8
232.09027	1.0
255.16158	0.9
281.24814	19.7
295.46228	0.8
461.31702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97596	0.5
53.63909	0.5
59.01379	4.3
60.35248	0.5
61.98835	100.0
64.34021	0.5
69.12789	0.6
71.01392	0.8
101.02421	0.8
116.07158	0.8
116.92817	4.4
125.85764	0.6
165.79912	0.6
168.04553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35469	0.3
61.98833	0.6
68.57877	0.3
78.95885	1.8
80.20802	0.3
92.11790	0.7
98.94057	0.3
99.92579	8.4
116.92854	100.0
117.92860	0.6
155.41438	0.3
266.32257	0.3
279.23276	4.0
280.23700	3.5
299.29416	0.4
315.81293	0.4
389.30692	0.4
455.46722	0.4
462.27173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.8
57.03451	2.4
58.00593	2.8
59.01382	100.0
62.85197	1.1
65.37247	1.0
69.03446	7.5
71.01378	61.8
72.99301	2.7
73.02953	8.7
81.03443	2.6
81.06449	1.2
83.01383	7.5
85.02945	17.8
87.00875	6.5
87.92589	1.1
89.02435	52.4
95.01403	5.8
97.02939	5.2
101.02433	38.1
111.00892	2.3
113.02445	24.1
116.92844	1.5
119.03481	27.3
123.00870	12.5
124.01653	31.0
125.02434	20.7
125.03463	2.8
129.92451	1.5
131.03500	2.7
138.03206	1.5
139.03996	11.9
139.04922	1.3
143.03522	4.6
149.04552	2.8
161.04524	9.9
162.45369	1.2
166.05893	1.2
171.00369	1.4
179.05621	13.9
221.06616	14.1
245.06595	1.5
263.07718	6.9
271.01389	1.3
308.29550	1.5
323.09796	20.0
463.14709	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	463.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
57.03450	1.7
59.01385	100.0
61.98833	77.6
71.01383	49.0
75.00858	3.2
81.03431	2.6
83.01369	3.5
85.02952	15.8
87.00869	7.7
89.02435	45.1
95.01373	3.5
97.02941	2.2
99.00857	3.2
101.02429	20.7
103.60484	1.7
109.02936	1.8
111.00876	2.6
113.02441	17.1
119.03465	14.1
121.02934	45.4
121.05036	2.9
122.02452	3.2
123.00880	10.8
127.00381	2.4
136.03926	2.5
136.98740	2.2
137.02411	19.0
138.03223	7.5
139.00354	7.5
139.03961	2.4
153.05565	51.8
154.02689	2.9
155.03485	3.1
161.04523	2.2
179.05580	9.3
179.07039	2.2
181.01411	8.2
182.02197	12.4
183.02991	3.9
196.03807	2.8
197.04564	94.2
211.06189	2.8
225.03908	2.4
239.05595	16.3
298.66666	1.8
299.07962	1.9
338.83740	2.2
341.08856	3.8
403.19879	3.9
463.14578	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50068	1.0
57.03455	1.4
58.15748	1.1
59.01386	100.0
61.59619	1.1
61.98832	8.9
70.18955	1.1
71.01376	28.0
72.99280	1.5
73.02930	1.4
75.00835	1.4
85.02937	5.9
88.37623	1.3
89.02435	38.6
97.06533	1.8
101.02449	12.2
108.02180	1.7
111.29148	1.5
113.02455	12.4
119.03468	12.7
120.99667	12.6
121.02945	2.1
123.04507	4.6
158.06110	5.3
161.04489	2.0
165.01862	1.9
165.09180	1.6
167.03456	9.7
179.05608	16.6
216.43762	1.4
223.13318	2.9
224.03371	2.9
266.07077	1.4
266.10385	1.4
341.05103	2.2
403.19504	3.0
404.09390	1.9
405.68134	1.6
425.16486	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43744	0.6
57.03443	3.8
58.00598	0.7
59.01384	100.0
61.98823	4.4
65.04975	0.8
71.01088	0.6
71.01385	9.5
71.45681	0.7
73.02915	1.2
82.95380	0.7
83.01370	1.0
85.02940	4.0
89.02446	7.5
95.01411	1.2
97.76589	0.7
101.02432	6.2
101.06069	1.4
102.73077	0.8
109.01692	1.0
113.02450	4.2
119.03508	1.8
121.02950	1.0
130.08751	6.8
137.09775	1.3
156.92598	0.7
161.04514	1.4
172.09756	3.2
179.05583	6.1
179.10727	0.8
205.12350	1.6
223.13376	5.2
241.14445	1.7
246.09860	1.1
249.06206	1.3
352.00391	0.8
403.19812	9.5
463.22223	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03445	1.9
58.00587	0.9
59.01385	100.0
60.24707	0.7
61.98533	1.1
61.98829	17.1
65.87106	0.8
71.01382	33.8
72.99285	1.5
73.02942	5.4
75.00852	0.9
75.89366	0.7
83.01388	1.3
85.02956	6.4
87.00853	1.4
89.02439	38.6
90.05802	0.8
95.01342	1.3
96.96057	0.8
99.00876	2.1
99.92577	7.5
101.02447	13.5
106.02099	0.9
106.51931	0.8
110.90729	0.8
113.02442	12.1
116.92853	56.7
116.97245	4.0
117.01920	4.6
117.92863	3.6
119.03481	13.8
123.00904	1.0
123.08115	1.1
123.98496	0.8
125.02432	0.8
130.08665	1.6
131.03499	1.1
133.55611	0.8
143.03488	3.7
161.04558	4.2
162.54225	0.9
179.05620	15.2
179.07043	1.6
179.64227	0.9
205.12279	1.4
206.97878	0.9
223.13312	1.1
241.14529	1.1
366.07297	0.9
403.19904	9.0
443.70441	0.8
458.71854	0.9
463.22168	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68759	0.2
59.01391	0.6
69.83099	0.2
72.99300	1.2
74.02476	0.2
75.00877	100.0
86.08557	0.2
88.84441	0.1
92.65631	0.2
95.19666	0.2
99.18446	0.2
99.96831	0.2
100.88062	0.2
101.70132	0.2
108.56049	0.2
140.24028	0.2
217.00211	0.3
235.51802	0.2
287.97229	0.2
295.22818	0.8
301.10983	0.2
312.62454	0.2
370.89584	0.2
372.00388	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15382	1.0
53.70534	1.1
57.03431	1.3
59.01107	1.6
59.01389	41.5
73.02914	1.5
76.47197	1.2
78.95911	1.5
125.09637	1.9
127.11281	5.4
137.09647	1.8
139.11253	7.3
155.10855	2.0
171.10254	37.4
197.15500	1.6
199.09644	1.2
201.11372	23.1
245.19508	1.4
275.20157	2.6
293.21222	1.5
311.22336	25.9
329.23334	100.0
359.28036	15.6
403.26880	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
59.01382	74.5
63.27922	0.7
76.95620	0.8
89.02425	1.2
91.03999	9.1
97.96507	0.7
99.08134	4.1
125.09700	1.1
127.11275	1.0
139.11234	1.2
167.14310	1.1
171.10234	6.3
183.13870	5.5
184.33092	0.7
193.12270	1.3
209.11745	1.0
211.13385	29.9
228.44048	0.9
229.14430	18.6
270.71329	0.9
293.21335	1.3
311.22339	10.8
326.13681	0.9
329.23337	100.0
330.23734	3.3
399.02542	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	15.5
58.64339	2.1
59.01389	83.8
63.39737	1.9
63.45001	1.9
65.47052	2.7
68.74240	1.9
71.01384	14.1
73.02950	24.1
78.95925	2.2
89.02456	5.0
89.53909	2.2
97.06612	2.8
100.45956	2.4
103.04066	3.2
123.08173	2.6
125.09697	2.8
131.58359	2.2
137.09737	11.7
169.12392	4.7
171.10280	20.2
185.15463	14.8
197.15506	3.1
201.11316	18.1
213.18535	4.7
263.89008	2.7
268.29593	2.2
297.24445	4.1
299.25934	10.5
311.22400	17.0
313.23724	3.9
323.36111	2.4
329.23328	56.8
359.28058	100.0
403.27213	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	463.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02209	0.3
58.54544	0.3
59.01385	3.3
59.38264	0.4
61.98832	0.8
72.99289	0.7
75.00867	100.0
79.95740	0.4
96.95993	0.9
104.38354	0.4
116.31624	0.4
116.92771	0.4
131.02855	0.4
134.64761	0.4
174.99292	0.4
243.67862	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82773	0.2
59.01399	1.6
61.98840	100.0
63.54498	0.2
71.01384	1.0
75.00884	0.4
85.03002	0.2
86.11951	0.2
89.02453	0.3
90.24638	0.2
91.44632	0.2
101.02435	0.3
115.92031	0.3
119.18682	0.2
127.10105	0.2
132.85085	0.2
151.03970	0.4
174.79759	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53489	0.5
56.78775	0.5
57.03459	4.4
59.01378	24.4
61.98829	46.9
64.34963	0.5
71.01379	11.6
73.02933	1.5
75.00865	1.2
79.30846	0.5
83.01358	1.1
85.02931	6.1
87.00876	1.4
89.02429	9.8
92.12380	2.3
95.01365	0.7
96.96005	6.7
99.00890	0.7
101.02435	7.7
113.02423	3.0
116.92850	2.1
119.03497	5.1
119.08642	2.5
121.06538	0.8
125.09721	0.7
128.03526	0.8
137.09700	24.8
143.04672	0.8
177.12828	3.2
187.37222	0.6
199.57393	0.6
221.11870	3.7
239.12878	32.8
240.13129	0.8
262.64423	0.6
272.08865	1.1
340.15637	0.6
401.18164	100.0
402.18539	5.0
465.14282	8.5
465.20013	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1978
Annotation	Ustiloxin F
Peak:m/z	Relative Intensity
55.01873	3.9
57.03456	7.1
57.61405	0.8
59.01117	1.3
59.01390	23.5
61.98809	1.0
63.21492	0.8
71.01384	32.0
72.99299	5.3
73.02921	5.8
75.00458	1.4
75.00866	35.8
83.01363	4.7
85.02465	1.8
85.02945	36.8
87.00873	7.3
88.98789	1.9
89.02443	9.2
95.01384	2.1
96.95957	0.8
99.00885	8.8
101.02405	5.5
111.00854	1.9
113.02431	28.5
115.00325	1.6
115.31052	0.9
116.92822	1.9
117.01913	1.1
130.48140	1.0
144.54376	0.9
161.04564	1.8
175.02449	1.3
190.36063	0.9
284.43008	1.0
290.32401	1.0
368.18094	0.9
447.99942	1.0
465.19769	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	465.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82579	0.9
55.81878	0.6
57.50691	0.7
58.02971	3.5
59.01382	1.3
61.98828	1.5
64.34322	0.9
72.00906	4.7
72.04530	3.7
73.98183	0.9
74.02469	61.3
78.81111	0.9
83.78309	0.9
92.11694	4.0
116.05053	37.4
130.06622	4.1
130.44191	1.2
142.06645	10.4
159.09280	7.3
200.77585	1.0
203.08260	49.7
225.08408	1.0
225.22250	1.2
271.22797	3.5
283.03766	0.9
292.26477	1.6
318.24390	9.6
322.23520	1.0
336.25577	10.5
421.32535	1.9
465.31232	100.0
466.31390	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	465.3224
Annotation	Varanic acid
Peak:m/z	Relative Intensity
55.01885	19.4
58.25853	1.1
59.01374	2.9
61.98834	1.8
63.51233	1.1
64.34541	1.3
68.26616	1.3
68.99538	2.1
70.06915	1.2
71.01380	9.5
71.05013	3.0
73.53371	1.2
73.89751	1.1
83.05008	2.1
91.06506	1.3
91.19307	1.6
109.24655	1.3
112.98562	1.6
168.75790	1.3
225.12202	1.4
255.23244	1.4
261.22281	2.3
277.25198	2.0
291.26996	2.6
331.30066	97.3
357.31662	5.7
359.33252	15.7
375.29059	77.6
377.34149	11.0
403.32132	34.7
421.33105	2.4
447.31158	65.8
465.32239	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	465.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33521	0.4
54.51186	0.4
58.02974	0.9
59.01372	2.8
61.98818	1.2
64.37147	0.5
71.26858	0.5
112.75520	0.5
116.92771	0.5
128.10822	3.1
130.08720	100.0
198.52165	0.7
198.97650	0.5
207.99757	0.5
223.73512	0.5
223.75812	0.6
348.32745	3.3
392.31732	71.7
393.32315	0.6
421.31436	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	466.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04202	0.1
50.90193	0.1
61.70352	0.2
61.98830	0.3
78.95898	21.1
87.77023	0.2
93.46761	0.2
136.01683	0.4
152.99594	2.3
154.02727	4.2
210.05386	7.9
213.28683	0.2
228.06438	1.2
255.23306	100.0
256.23746	0.8
466.29416	26.9
467.29614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.0
57.79621	0.2
59.01106	0.3
59.01390	6.7
61.98837	10.6
69.43737	0.3
71.01376	2.8
73.02939	1.5
74.15126	0.2
77.28362	0.2
79.95727	1.7
83.01392	0.4
85.02953	1.4
89.02439	1.8
95.95211	0.6
96.96006	100.0
99.00861	0.2
99.04519	0.5
101.02457	1.9
101.06076	1.0
113.02438	1.2
114.39072	0.3
117.84679	0.2
125.02466	0.3
128.03502	0.3
145.02960	0.4
146.08244	0.5
211.13536	0.3
241.00362	0.4
289.11316	0.3
323.13464	0.5
365.14633	0.5
407.26596	1.4
467.15979	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2734
Annotation	Cytochalasin Rpho
Peak:m/z	Relative Intensity
53.12062	0.3
53.75948	0.3
59.01382	0.3
61.98827	0.8
66.35722	0.3
78.95895	23.8
83.81370	0.3
85.68784	0.3
87.55797	0.3
94.16816	0.3
97.06581	0.8
99.08137	5.5
104.97469	0.3
113.09728	0.4
122.00098	1.4
140.01173	8.0
152.99603	0.8
153.12857	0.4
155.14386	5.5
162.63326	0.4
169.15968	0.6
182.71860	0.4
196.03806	9.0
209.95039	0.3
214.04874	2.0
225.22246	7.7
235.20665	0.5
253.21735	0.6
269.21213	1.7
271.22784	100.0
272.23190	2.2
306.17642	0.4
347.15509	0.5
348.15756	4.4
350.47534	0.4
410.51517	0.4
468.27344	46.1
469.27692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06412	0.5
55.01892	0.7
57.03439	0.5
59.01384	28.2
59.20629	0.5
61.98825	1.1
71.01379	25.8
72.99298	0.9
73.02938	8.6
82.95401	1.1
83.01380	2.2
85.02950	7.4
87.00862	4.8
89.02436	18.3
93.19749	0.5
95.01367	1.9
97.02911	0.8
99.00868	1.1
99.08147	29.9
101.02423	19.6
103.06617	0.5
113.02431	10.5
119.03481	8.5
127.07606	1.0
129.09224	2.0
131.03473	4.7
141.09236	0.7
143.03448	0.8
145.08704	57.9
146.09045	0.8
159.02960	2.0
161.04578	7.0
168.47023	0.5
179.05653	2.9
221.06670	7.7
333.72684	0.6
409.24341	2.4
469.19302	100.0
470.19833	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	469.2576
Annotation	Bacilysocin
Peak:m/z	Relative Intensity
50.65020	0.6
59.01368	1.0
68.35842	0.7
78.95477	1.0
78.95904	17.9
79.26489	0.7
96.96948	1.2
152.99585	30.1
171.00601	1.0
183.01266	1.5
190.47067	0.7
227.03171	1.5
241.21748	100.0
242.21994	0.9
311.16943	5.5
406.93158	0.8
469.25732	39.6
470.26282	1.1
473.97696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2573
Annotation	Bacilysocin
Peak:m/z	Relative Intensity
56.68657	0.4
60.11898	0.4
61.98829	0.5
78.95898	18.6
96.96943	0.9
132.18671	0.5
152.98331	1.0
152.99588	32.6
171.00671	0.6
190.46318	0.5
196.90894	0.5
227.03311	2.8
241.21747	100.0
242.22066	2.8
245.04221	0.5
275.37714	0.5
331.98694	0.5
377.21161	0.6
469.25760	48.1
470.26096	1.1
492.15445	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2598
Annotation	Blazeispirol V1
Peak:m/z	Relative Intensity
51.95827	0.7
56.70036	0.7
57.91550	0.7
58.88440	0.7
59.01379	1.8
59.58176	0.8
61.83482	0.7
68.36505	0.8
82.94470	0.8
86.03340	0.8
95.04971	0.9
99.92563	1.5
104.08190	0.8
105.03450	1.6
115.92075	10.5
115.94355	1.2
116.92830	1.3
117.03421	3.7
121.05515	0.8
132.02164	13.8
133.02950	18.6
134.03731	38.2
135.04529	14.2
137.02429	3.5
144.45934	0.9
148.05328	8.7
149.06010	1.7
160.01653	65.8
161.02426	7.3
175.03992	100.0
176.04282	1.2
177.01945	1.2
178.02713	3.9
179.03461	8.5
193.05057	21.0
263.20291	1.1
275.20181	3.0
285.11218	1.3
293.21304	6.0
305.91998	1.0
306.48288	0.9
437.23203	1.8
469.20404	2.9
469.25937	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49119	0.1
58.71029	0.1
59.01375	1.0
59.13451	0.1
62.01589	0.1
65.54620	0.1
67.18304	0.1
71.01376	0.3
82.02989	0.6
84.04504	0.2
85.02957	0.2
89.02437	0.6
94.86192	0.1
101.02435	0.3
110.06326	0.2
119.03478	0.2
128.03525	100.0
129.01909	0.2
153.58701	0.1
179.05511	0.4
192.48303	0.1
240.38080	0.1
275.25980	0.1
293.69995	0.1
330.84467	0.1
336.40210	0.1
341.10910	1.6
362.00845	0.1
393.27274	0.1
470.15195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21263	0.1
58.46148	0.1
59.01371	0.6
63.71901	0.1
65.99812	0.1
71.01385	0.4
73.94334	0.1
82.02965	0.6
84.04530	0.1
85.02940	0.1
89.02444	0.7
101.02442	0.5
113.02458	0.1
118.42410	0.1
128.03525	100.0
129.01929	0.5
129.03896	0.2
179.05606	0.2
186.68100	0.1
229.40340	0.1
341.10986	1.5
351.08026	0.1
374.05777	0.1
449.69687	0.1
465.22284	0.1
470.15387	0.5
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
55.01882	0.8
57.03463	2.0
59.01386	100.0
61.98833	11.9
62.04977	0.5
63.23914	0.5
69.03469	0.5
71.01385	20.4
72.99323	0.5
73.02943	14.4
75.00875	0.6
82.95416	1.2
83.01380	3.4
84.95134	1.2
85.02952	9.3
87.00874	0.9
89.02450	5.3
92.11690	0.7
95.01365	2.2
95.05084	0.8
96.95992	0.7
97.02944	2.3
98.34896	0.5
99.00845	1.2
101.02441	10.9
109.06625	0.6
111.04530	0.6
113.02451	10.0
113.06081	0.8
116.92877	0.7
119.03492	0.9
122.03738	0.8
123.08183	2.5
125.02415	0.8
125.06074	0.7
135.08150	0.5
136.05312	2.2
138.06873	14.7
139.07658	2.9
143.03453	0.8
151.07652	8.7
152.08432	18.7
153.01942	1.3
153.09210	49.8
161.04561	2.6
161.09668	1.2
163.11298	1.1
165.05568	2.5
165.09128	0.8
168.04308	0.8
178.76898	0.5
189.09146	0.8
205.12355	19.5
223.13341	5.5
285.78540	0.6
342.57751	0.5
367.17636	29.1
385.18686	5.9
427.19696	6.7
443.87988	0.7
471.15271	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	471.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	6.7
57.03454	6.6
58.00607	0.7
59.01384	45.2
61.98830	6.4
64.60045	0.5
67.77586	0.5
69.03475	0.6
71.01380	52.5
72.99291	2.3
73.02944	17.1
75.00849	1.2
82.95404	10.7
83.01392	11.9
85.02945	30.7
87.00875	2.8
88.97192	0.7
89.02435	9.1
95.01385	4.4
96.96000	3.4
97.02950	0.9
99.00867	9.1
101.02431	50.2
101.06071	2.7
111.00865	0.7
113.01704	1.3
113.02442	23.0
116.92840	0.7
119.03479	1.4
125.02448	2.5
129.01952	0.9
131.10681	0.5
143.03474	2.9
145.54236	0.6
159.02954	3.4
161.04558	17.5
198.06876	0.7
205.03664	0.7
223.06114	1.0
234.86353	0.6
249.13411	25.1
250.70070	0.7
351.13031	2.8
404.20792	0.8
411.18771	100.0
412.19128	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13251	0.3
59.01384	0.6
61.98813	0.3
66.95916	1.5
82.95411	100.0
83.02504	1.6
92.11761	0.4
98.68806	0.4
168.13620	0.3
300.30154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.0
69.03439	0.5
71.01367	0.5
83.05014	0.5
84.62523	0.4
87.99457	0.5
92.53703	0.5
95.19743	0.4
107.05036	0.9
109.06586	3.0
116.92862	1.0
123.68487	0.5
137.68245	0.4
140.83444	0.4
147.15846	0.5
177.44934	0.5
183.43724	0.4
193.07172	0.7
214.27504	0.5
277.21735	100.0
278.22064	1.1
355.30194	1.9
427.32016	3.6
439.43503	0.5
471.31253	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	471.3117
Annotation	Comnostin D
Peak:m/z	Relative Intensity
50.43872	0.4
51.70037	0.3
55.01871	0.7
69.03452	11.7
71.01371	1.9
71.05006	0.4
72.65668	0.5
81.03443	0.5
81.49268	0.4
83.05022	100.0
84.98658	0.4
92.12318	0.4
95.04997	0.7
97.02976	0.6
97.84009	0.4
98.09856	0.3
109.06591	0.6
122.03742	0.7
123.04501	2.7
125.06073	49.4
130.19055	0.4
145.68459	0.4
271.13596	0.4
273.15027	5.6
279.23346	0.7
301.25397	1.9
302.09583	0.4
339.27036	0.8
353.28357	3.6
355.30127	16.3
369.24396	1.5
381.31537	0.7
383.33334	2.5
399.32770	1.0
409.31296	0.6
411.29010	0.8
425.30658	2.9
427.32196	59.8
428.32861	0.4
471.31195	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3116
Annotation	Comnostin D
Peak:m/z	Relative Intensity
52.81607	0.3
53.28193	0.3
54.85340	0.2
54.99817	0.2
55.01880	0.4
59.01372	0.6
59.77733	0.3
69.03454	9.2
70.22249	0.3
71.05016	0.5
75.00873	0.4
77.31290	0.3
78.36643	0.4
80.02666	1.7
81.03444	0.7
91.05529	0.4
93.03455	0.4
97.63639	0.3
107.05014	5.9
109.06580	98.6
110.06924	0.5
111.42133	0.3
116.07191	1.2
117.05560	0.5
125.02574	0.3
161.01189	0.3
194.21581	0.4
201.12920	0.7
204.58270	0.3
315.26926	3.5
337.29086	0.7
339.26959	0.5
353.28574	3.5
355.30099	48.4
356.30557	0.4
357.28009	1.4
367.30045	0.6
381.31729	1.8
383.33234	17.3
384.33627	0.5
393.27975	0.4
409.31131	14.4
416.74930	0.3
427.32187	55.6
427.83472	0.3
428.32471	1.7
430.72760	0.3
471.31177	100.0
472.31662	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3116
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
59.01381	7.3
60.42751	1.3
61.98820	8.1
63.64746	1.6
64.90826	1.4
69.03448	10.0
69.90376	1.5
76.45596	1.5
80.02683	2.3
81.50763	1.6
87.95010	1.7
104.19250	1.7
105.03468	2.6
107.05020	4.1
108.12846	1.7
108.82887	1.5
109.06588	100.0
109.07339	3.4
132.02138	9.6
133.02946	24.4
134.03731	16.0
135.04518	3.6
137.29504	1.8
160.01656	51.6
160.02985	1.8
161.02382	7.6
175.03984	76.3
193.05016	6.3
279.23300	2.6
295.22815	9.5
355.30106	48.4
381.31949	2.3
383.33173	24.9
409.31284	15.2
427.32208	65.7
439.24823	2.7
471.32031	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77494	0.8
54.98293	1.1
57.85263	0.8
59.01108	1.3
59.01386	32.9
65.69080	0.7
66.59077	0.7
67.02998	4.3
67.25137	0.8
68.83308	0.9
71.01382	24.2
72.99310	1.5
73.02944	5.0
83.01373	1.0
83.02515	1.0
85.02950	5.3
87.00869	1.6
89.02443	23.3
91.27908	0.8
92.05063	19.0
93.26158	0.9
94.04078	0.9
95.01388	1.0
101.02450	14.2
102.05598	5.4
106.04108	1.9
109.04077	1.7
110.65117	0.9
113.02461	7.9
116.05064	1.1
116.92917	0.8
117.04498	1.2
119.03509	7.0
119.93547	0.9
120.04543	4.1
120.96979	0.8
126.06719	3.3
128.03531	24.2
128.20229	0.9
131.03651	5.1
132.04533	8.6
135.05640	4.1
136.03984	5.3
144.04552	8.1
146.02483	19.9
146.04572	4.4
147.03273	17.8
147.05656	4.9
148.04057	13.6
149.04654	1.8
151.06291	1.0
158.06113	1.7
159.03223	1.2
160.04037	51.0
161.04544	6.6
163.06255	6.0
172.04037	6.4
174.05594	1.8
177.10326	8.0
179.02278	6.6
179.05602	9.9
185.04779	1.6
186.05626	1.9
187.08771	1.4
189.10339	7.0
202.05106	4.8
214.05067	2.0
215.08388	1.3
221.06712	5.8
221.09290	5.8
232.06108	1.2
233.09343	14.4
275.11569	5.9
277.08395	1.2
300.11032	23.5
324.98322	0.9
343.11649	5.0
360.16638	3.7
385.16418	8.0
386.14825	1.1
404.15860	22.2
411.14633	1.8
429.15143	9.4
454.14896	1.5
472.15167	100.0
473.14902	1.2
477.57568	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	26.1
61.31751	0.7
61.98815	1.2
65.41463	0.7
66.00982	1.0
67.03014	4.5
67.94402	0.7
68.02534	0.8
71.01028	1.4
71.01382	21.7
73.02937	4.8
75.67516	0.9
76.76712	0.8
82.02899	0.8
83.01352	1.2
83.02480	1.1
84.92429	0.7
85.02944	6.2
87.00886	3.3
89.02443	23.3
92.05057	16.4
95.01325	1.0
95.99892	0.8
97.77110	0.8
101.02435	16.8
102.05564	4.7
106.04119	2.9
113.02421	11.5
119.03468	8.1
120.04515	4.4
125.02392	1.4
126.06733	3.6
128.03537	23.0
131.03589	4.1
132.04573	10.9
135.05681	6.6
136.03996	6.0
144.04547	9.9
146.02484	21.6
146.04596	4.9
146.06111	0.9
147.03284	18.4
147.05652	4.9
148.04037	14.0
149.04631	3.8
158.06108	3.7
160.04042	51.3
161.04564	4.4
163.06291	5.9
163.71155	0.9
172.02719	0.8
172.04048	7.6
174.05605	3.5
177.10349	4.3
179.02220	6.8
179.05589	11.0
185.04854	1.1
186.05579	3.2
189.10265	4.3
195.63565	0.8
202.05194	3.6
203.08412	1.2
214.05258	1.5
215.08354	1.0
221.06715	4.9
221.09308	6.3
232.06158	1.0
233.07190	1.5
233.09323	15.4
256.12308	0.8
275.11597	6.4
300.11078	26.3
300.14459	1.5
343.11630	4.2
360.16754	1.9
385.16223	10.4
404.15808	25.2
411.14139	1.7
429.15399	7.8
454.14938	3.1
472.15253	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	472.1464
Annotation	Proteacin
Peak:m/z	Relative Intensity
55.35924	4.1
58.28143	3.4
59.01387	59.8
61.98827	5.6
65.70104	3.7
71.01389	43.9
74.44750	4.4
85.02950	5.8
87.00887	4.2
89.02437	39.3
92.05058	4.7
101.02441	29.6
113.02468	9.6
114.38969	6.3
116.92903	5.4
118.58425	4.8
119.03474	10.3
121.02914	6.8
121.82059	5.5
132.04579	11.3
144.04544	20.5
146.02449	35.5
147.03271	24.1
148.04097	21.5
160.04056	84.9
161.04585	6.4
179.02307	5.3
179.05634	24.7
221.04433	5.0
221.06636	6.5
472.14609	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	472.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99820	0.6
54.91995	0.7
59.01374	4.8
66.00979	0.8
67.03021	7.7
68.02518	1.6
71.01370	1.0
83.02512	1.3
85.02947	1.5
87.45600	0.8
88.26595	0.7
92.05046	33.7
94.04079	3.1
95.63242	0.7
102.05601	9.0
106.04101	6.8
109.04088	6.2
111.03112	1.9
117.04545	0.8
120.04551	1.9
126.06728	7.3
128.03525	47.6
135.05621	12.0
136.04024	11.7
143.56987	0.9
146.04573	7.6
147.05653	9.3
148.04044	19.5
149.04645	2.9
151.06267	4.2
152.71535	0.8
160.04033	4.1
161.07130	1.4
163.06274	14.2
177.10292	12.4
187.08775	1.4
189.10387	8.5
203.08257	1.4
214.09767	1.1
215.08287	2.0
221.09317	15.1
233.09332	26.3
256.11978	1.5
258.08835	1.6
273.09906	1.2
275.11523	9.4
300.11023	46.2
343.11343	9.6
360.16885	6.1
385.16238	19.4
386.14334	1.6
404.15756	44.7
404.20987	1.8
411.14319	4.4
421.64886	0.8
429.15344	12.1
454.14954	4.7
472.15845	100.0
473.16049	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	472.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86219	0.7
58.51119	0.6
59.01374	3.9
65.23563	0.7
66.00964	0.8
67.03016	6.6
68.02545	1.0
69.49406	0.8
71.01386	1.1
75.30830	0.6
83.02505	1.3
85.02932	1.7
86.91405	0.6
89.02436	0.9
92.05051	25.7
94.04053	3.3
102.05619	6.3
106.04108	4.6
106.06633	0.9
109.04060	3.8
111.03104	1.5
117.04566	1.2
120.04531	2.8
126.06730	5.6
128.03528	41.3
128.04489	1.4
129.03915	0.8
135.05658	9.5
136.04034	10.7
146.04538	7.1
147.03284	0.9
147.05656	9.3
148.04039	14.0
149.04642	3.0
151.06232	3.5
160.03996	2.8
161.07246	0.8
163.06271	10.2
177.10324	10.1
189.10324	10.8
194.52466	0.8
203.08228	1.1
210.58147	1.0
214.09874	0.9
214.28424	0.9
215.08344	1.9
221.09325	12.0
233.09319	26.2
256.11902	1.3
258.08838	1.3
273.10007	1.4
275.11475	11.2
300.11032	43.6
338.51981	0.8
343.11118	7.7
360.16873	5.5
367.15274	0.9
385.16287	16.3
404.15781	38.1
411.14474	5.6
429.15366	13.7
454.14838	4.7
472.15875	100.0
473.16052	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	472.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50527	0.4
52.41845	0.4
55.47785	0.5
57.03463	1.1
58.00605	0.5
59.01385	72.5
62.39474	0.5
71.01380	47.6
72.99307	2.5
73.02943	3.7
78.95863	0.6
83.01379	2.7
85.02950	6.9
87.00864	3.4
87.04541	0.7
88.04020	4.1
89.02437	78.1
89.72760	0.5
92.12370	1.0
95.01373	3.4
97.02958	1.1
101.02434	28.9
113.02446	19.0
115.03963	0.7
119.03484	21.8
125.02435	0.6
128.03542	2.3
130.05101	3.6
130.08728	78.4
131.03484	3.2
131.04500	0.6
131.09082	1.0
143.03520	3.3
149.04579	3.1
161.04514	9.4
163.06250	0.6
179.05605	26.1
204.07057	0.5
221.06665	2.6
233.09320	0.8
254.45642	0.5
266.66858	0.6
267.28079	0.6
300.11038	1.1
341.10916	100.0
342.11252	1.3
404.15851	2.3
464.50143	0.7
472.15659	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	472.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50979	0.4
55.01869	0.4
57.03444	0.9
58.00587	0.9
59.01385	69.3
67.74150	0.4
71.01379	47.1
72.99303	2.8
73.02934	3.7
73.13536	0.4
83.01369	1.1
85.02936	8.1
87.00864	3.0
88.04019	2.7
89.02438	65.5
92.05063	0.9
95.01366	3.0
97.02939	2.3
97.90631	0.5
101.02431	28.5
106.94356	0.5
108.16909	0.4
113.02444	21.6
119.02665	1.1
119.03486	22.3
122.85521	0.4
128.03523	3.5
128.23364	0.5
130.05029	2.3
130.08725	81.8
131.03490	4.0
131.04527	1.0
131.41228	0.5
143.03484	5.1
149.04593	2.0
161.04555	9.0
163.70589	0.5
167.02090	0.5
177.06573	0.6
179.05611	22.7
189.10368	0.6
221.06686	1.9
233.09407	0.7
300.11026	0.8
306.20703	0.5
341.10892	100.0
342.11270	1.1
404.15955	0.9
429.15283	0.5
472.15707	2.7
483.65527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60506	0.7
52.86248	0.6
52.91418	0.7
54.28586	0.6
54.48095	0.7
55.01863	4.5
57.03443	3.5
58.00572	1.1
59.01384	39.5
69.03461	1.2
71.00988	1.7
71.01379	47.6
72.99289	1.3
73.02941	15.1
75.00850	0.8
78.95876	1.0
83.01361	6.6
85.02946	24.3
87.00854	3.7
89.02431	17.6
92.14080	0.8
95.01360	3.6
96.95972	3.4
96.96945	3.6
97.02916	2.0
99.00857	6.5
101.02425	47.2
111.00877	1.1
113.02444	19.6
119.03486	4.6
125.02419	1.3
128.03522	0.9
131.03458	1.8
143.03526	1.7
159.03006	3.9
161.04547	20.7
179.05566	3.8
182.95624	1.0
212.76982	1.0
251.11354	28.2
323.09888	1.0
357.53836	0.9
413.16678	100.0
451.00677	0.9
475.72427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78456	0.7
55.01867	0.9
56.32651	0.8
57.03449	1.7
58.00590	1.1
59.01387	100.0
60.93983	0.9
61.98835	2.1
69.97478	0.8
71.01382	25.1
73.02949	11.3
74.70232	0.9
74.88937	0.8
79.95734	1.0
82.95418	11.3
83.01389	3.9
85.02947	9.1
87.00883	2.1
89.02435	9.5
93.03465	3.4
95.01366	0.9
96.96004	38.0
99.00830	1.4
101.02446	15.2
113.02459	9.8
116.92837	4.7
119.03493	2.4
119.05009	12.3
125.87661	1.2
135.82137	0.9
137.09691	2.4
161.04616	2.4
198.35289	1.0
207.13817	1.4
225.15067	7.4
236.08321	1.1
237.09218	11.2
249.09196	5.8
281.08206	10.5
293.08209	14.0
369.19131	15.2
387.20291	21.4
420.34134	1.5
429.21271	11.8
473.20724	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2059
Annotation	Tyr Tyr Gln
Peak:m/z	Relative Intensity
55.01883	0.3
59.01384	6.5
61.98837	0.2
63.92444	0.2
66.44526	0.2
71.01394	2.6
72.99328	0.3
73.02946	1.2
74.99138	0.2
75.24772	0.2
79.95726	2.0
80.96527	1.8
82.95410	0.9
83.01383	0.4
85.02947	1.5
85.66275	0.2
87.00851	0.5
89.02430	0.3
95.95223	0.2
96.96001	83.3
101.02408	2.3
113.02434	0.6
116.92850	0.9
120.91420	0.2
122.97552	1.4
134.73943	0.2
135.73532	0.2
138.97090	2.9
147.04510	1.0
150.97050	1.2
161.04593	0.4
164.98601	0.4
167.03529	0.3
176.26109	0.2
178.14677	0.2
180.98154	1.1
193.94029	0.2
198.99208	1.0
207.14011	0.4
209.04539	0.4
225.15012	0.3
240.52464	0.2
241.00211	3.8
453.55243	0.2
473.20624	100.0
474.21094	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55263	0.2
54.82600	0.3
56.19156	0.2
58.72397	0.2
59.01387	100.0
59.34813	0.2
59.95628	0.2
60.42868	0.2
61.98843	0.4
62.38387	0.2
64.02636	0.2
71.53986	0.2
76.88211	0.2
82.95421	1.3
84.95121	7.0
87.00854	0.2
88.33891	0.2
92.12399	0.3
113.19138	0.2
119.86443	0.2
121.02940	0.2
157.62006	0.3
272.27902	0.3
289.14200	0.2
311.22354	0.3
335.15820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2822
Annotation	Val Gln Ala Arg
Peak:m/z	Relative Intensity
57.99732	0.4
59.01365	1.0
67.55074	0.5
72.82218	0.5
78.95884	2.2
82.95404	0.5
92.95978	0.5
99.04472	0.6
109.06584	2.7
189.12866	1.0
205.15990	35.4
230.14751	0.5
248.90941	0.5
266.12640	0.6
297.18515	0.6
375.23505	0.5
413.30414	0.9
457.25195	15.9
458.25934	0.7
473.28268	100.0
474.28787	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	473.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04527	1.6
59.01385	10.2
59.27755	1.8
61.98832	5.1
62.66532	2.0
69.99283	2.4
83.98207	1.9
87.00869	100.0
87.01396	4.4
91.12784	1.8
99.04505	3.5
107.05016	3.9
109.06580	8.6
112.57810	1.9
123.08129	10.9
125.06052	3.3
125.09666	4.9
132.02184	3.7
133.02946	2.7
134.03732	3.9
135.04550	3.2
139.87204	2.0
149.09705	4.1
160.01656	17.9
161.02435	2.6
163.11304	4.6
167.07249	2.1
167.10770	2.4
175.03967	29.9
177.09267	2.7
227.65811	2.1
283.16998	3.8
341.28448	8.1
352.65250	2.4
385.30936	17.1
411.33032	2.6
429.29190	23.3
429.34775	6.3
468.69403	2.4
473.28015	15.2
473.32932	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	473.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.5
57.88148	0.4
59.01363	1.1
66.78843	0.4
69.03454	8.8
71.04998	0.9
80.02641	2.1
81.03458	1.7
83.05009	0.6
85.02974	0.5
85.77145	0.5
87.00870	13.7
93.03465	0.5
93.41040	0.5
97.06557	0.6
99.04501	2.5
99.98740	0.4
105.03448	3.0
107.05015	7.6
109.06583	100.0
123.04506	0.6
123.08135	1.1
125.06132	0.5
132.02158	4.8
132.99672	2.9
133.02945	15.6
133.03915	0.6
134.03734	11.5
135.04559	3.4
137.02380	3.4
139.04073	0.6
144.76166	0.4
147.04559	0.5
148.05305	4.2
149.09718	0.6
160.01645	32.8
161.02458	6.5
161.06133	1.9
167.10846	0.7
175.03990	48.8
177.01984	0.6
178.02760	1.0
179.03572	1.1
193.05049	3.3
194.02391	0.6
205.15887	0.7
233.08240	0.9
233.15948	0.5
247.09998	0.6
261.11292	0.6
279.23901	0.6
297.24356	8.5
317.28427	3.6
329.18073	0.6
339.30966	0.8
341.29044	2.6
343.19614	2.0
355.30237	5.3
357.27573	1.6
357.31641	46.1
359.29837	3.3
369.32483	0.9
369.94147	0.5
383.33624	2.0
385.30951	1.3
385.34921	18.9
393.32117	1.0
395.30164	0.9
411.32770	15.1
429.33856	53.8
441.26453	3.4
473.33572	87.4
494.49133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33949	0.7
50.78633	0.6
53.95426	0.6
57.44500	0.6
59.01368	1.1
61.98854	0.7
62.65491	0.6
69.03441	5.6
73.36909	0.6
77.66332	0.6
83.05018	43.7
92.12377	1.1
104.69058	0.7
121.06535	4.4
125.06068	22.9
133.06534	1.7
141.40318	1.0
149.09703	100.0
151.71696	0.7
163.11212	1.1
163.99002	0.7
191.58946	0.8
279.23123	1.3
300.49149	0.8
311.20160	24.2
323.20175	18.6
355.29962	1.6
357.31580	5.9
429.33841	23.9
473.30850	73.6
474.30530	3.3
486.11362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69428	0.3
51.95469	0.3
54.83303	0.3
57.02104	0.4
59.01382	16.0
61.98824	0.4
62.73903	0.3
64.68041	0.4
65.76975	0.3
78.95888	0.5
89.02467	0.5
108.23312	0.4
114.88657	0.4
121.02957	0.8
134.04691	0.5
139.98170	0.5
152.99615	1.9
159.08066	0.4
220.80063	0.4
226.64531	0.4
236.07173	0.5
239.88174	0.4
255.23299	8.0
256.23657	0.6
279.23291	100.0
280.23581	0.7
391.22311	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	473.3272
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
53.75634	0.4
55.25257	0.3
57.03428	0.4
68.93623	0.4
69.03104	0.5
69.03452	9.2
69.36710	0.4
71.05021	0.4
80.02657	1.9
83.05006	0.5
87.00873	4.3
99.04534	0.6
105.03453	0.5
107.05003	7.4
109.06578	100.0
123.08247	0.4
126.63623	0.4
132.02167	2.6
133.02931	6.7
134.03745	4.3
135.04527	1.9
148.05284	0.8
160.01648	11.7
161.02475	2.9
161.06091	0.6
175.03998	17.9
193.05086	1.0
196.20709	0.5
259.97183	0.4
289.25372	0.4
297.24570	1.9
317.28439	3.2
330.72342	0.4
339.30707	0.7
341.28726	1.9
355.30157	4.8
357.31622	49.0
359.29770	1.9
367.30322	0.6
383.33420	2.0
385.34848	17.1
385.39392	0.6
393.31894	0.9
411.32721	13.7
411.37744	0.9
429.33746	55.4
441.26898	0.9
444.96527	0.4
457.24939	0.6
473.33063	96.9
474.33539	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3274
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
55.01870	0.7
59.01373	2.3
61.60477	0.4
61.98828	0.5
63.43908	0.4
69.03450	12.0
71.01372	2.4
81.06102	0.5
83.05019	100.0
83.16560	0.5
95.04997	0.6
97.02932	1.8
109.02918	0.6
109.06550	1.0
116.07221	0.6
116.92833	1.0
116.95534	0.4
117.05561	1.9
121.06567	1.7
122.03700	1.9
123.04482	0.7
125.06069	53.9
149.09711	8.0
152.72316	0.5
177.58693	0.4
279.23325	0.9
303.27005	2.0
311.20300	1.0
323.20364	1.0
355.30051	5.7
356.22638	0.5
357.31686	16.6
396.88742	0.5
411.32797	1.8
427.32242	3.5
429.33749	60.9
436.63684	0.5
473.32764	77.4
474.77380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3273
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
51.05933	2.1
53.93394	2.3
57.03461	3.5
59.01373	10.6
60.53809	2.1
61.98839	22.9
63.03128	2.5
63.20402	2.4
64.34615	2.5
69.03438	4.5
71.01378	2.7
71.26132	2.5
83.05015	10.4
85.02962	35.2
92.12473	2.9
95.05031	3.4
107.05035	3.3
114.38953	2.7
125.06068	15.7
163.33035	3.2
243.34743	2.5
279.23462	5.0
303.26898	4.9
341.28366	13.4
343.30029	17.7
355.30200	10.2
357.27643	4.7
357.31717	16.3
367.30191	11.0
383.33289	21.4
401.34219	10.7
411.32877	25.3
429.33661	100.0
473.32748	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3273
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
51.40193	0.2
54.51142	0.2
54.82762	0.2
59.01384	0.4
59.27723	0.3
59.54114	0.2
61.98834	0.3
68.99814	1.9
69.03454	0.6
71.01366	0.4
83.05031	1.3
95.01363	1.3
108.43970	0.3
109.02956	4.0
109.06625	0.5
116.92863	0.6
122.03750	1.7
123.04507	1.6
128.13173	0.3
130.08780	1.1
187.07671	1.2
201.09251	1.1
215.10808	0.5
227.10751	0.3
229.12344	4.6
243.13951	0.6
249.25755	0.3
255.13911	7.0
269.15399	0.4
273.15054	2.1
297.18622	1.5
315.19363	0.3
353.24716	1.5
367.26486	0.6
369.31638	5.8
372.26541	0.5
386.28372	1.6
392.31769	0.4
393.28043	0.4
409.31223	0.7
409.78622	0.3
411.32718	63.9
412.33044	0.7
429.33743	100.0
430.34244	1.5
473.32751	75.2
474.33102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51536	0.2
51.81601	0.2
51.87346	0.1
53.21996	0.2
54.92762	0.2
59.01386	14.3
60.01716	1.3
61.98838	0.3
73.05109	0.2
78.95899	100.0
96.96954	9.3
127.52442	0.2
130.73509	0.2
150.97986	0.4
152.99585	14.1
165.08493	0.2
171.00633	19.0
178.95908	0.2
199.32127	0.2
222.23860	0.2
400.22623	1.5
474.26291	50.8
475.26688	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	474.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18788	0.4
59.01384	6.8
60.01706	0.5
70.01850	0.4
78.95899	26.7
105.16027	0.4
119.77877	0.4
122.00105	0.6
133.52097	0.4
140.01158	7.8
152.99553	1.6
196.03795	13.2
199.52115	0.4
214.04868	3.4
233.22855	0.6
251.31670	0.4
277.21719	100.0
278.22055	1.6
335.75418	0.5
474.26291	31.4
475.26462	0.6
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
53.60366	0.2
58.28391	0.1
59.01382	5.0
60.01719	0.2
61.98837	0.3
67.92058	0.2
73.81884	0.2
78.95899	100.0
96.96953	9.1
101.60989	0.2
105.02560	0.2
110.67497	0.2
120.45674	0.2
140.01230	0.3
152.99590	15.8
165.54871	0.2
171.00641	18.7
214.04897	0.2
252.53413	0.2
324.17151	0.2
400.22577	1.7
474.26291	48.9
475.26633	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09063	1.4
57.03455	100.0
59.01381	14.1
61.98813	2.0
65.01746	1.7
66.68810	1.7
71.01364	3.9
73.02925	2.2
76.56303	2.1
77.51219	1.7
83.01390	2.0
85.02963	2.2
89.02410	2.6
90.68478	1.8
99.00868	2.0
99.04513	26.9
101.02447	21.0
110.00114	1.9
111.00873	12.3
113.02460	3.9
115.92245	1.8
124.01662	3.0
125.02438	28.5
130.94600	2.2
137.99533	3.8
139.00365	77.7
149.99608	4.4
151.00465	2.0
152.01176	2.6
153.01929	91.6
154.02718	94.9
155.66039	2.0
167.03484	14.6
168.00632	9.8
168.04266	44.4
169.05052	93.0
204.72964	2.0
313.09225	2.8
331.06644	4.5
331.10251	29.8
373.11411	22.0
413.14865	6.1
475.10208	9.1
475.15784	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	475.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74777	0.7
58.09953	0.6
59.01378	0.9
61.98813	1.2
70.69408	0.7
71.21456	0.6
74.99075	4.1
75.53712	0.7
77.00658	90.9
78.95900	0.9
92.12406	1.6
114.39117	0.9
120.31630	0.7
123.80715	0.6
147.08162	2.7
149.09668	0.9
161.09761	0.9
163.11270	4.2
163.84167	0.8
187.11285	3.1
189.41074	0.7
217.00171	0.8
279.13806	0.9
280.14587	1.7
297.61212	0.7
307.26401	4.6
309.22208	2.8
322.19586	1.0
328.06082	0.7
337.21753	100.0
338.21936	2.6
349.09198	0.7
358.03522	0.8
423.00641	0.8
475.23492	23.8
475.29633	1.5
476.23605	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2702
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
51.35931	0.2
60.09304	0.2
64.34406	0.2
71.01363	0.2
89.02444	0.2
105.03473	0.4
117.03433	0.9
132.02122	0.7
133.02939	27.3
133.31706	0.2
134.03748	3.8
135.04518	10.1
136.04645	0.2
137.02443	1.2
139.04045	0.2
160.01550	0.2
161.02434	100.0
167.59972	0.2
171.10234	1.0
179.03488	2.0
190.18857	0.2
191.05016	0.2
279.23221	0.8
295.22794	1.1
313.23859	8.9
389.27191	0.3
457.26105	1.9
475.27042	38.1
476.27588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82959	0.4
56.77775	0.4
57.39914	0.3
59.01377	2.6
83.73594	0.4
84.95107	2.1
87.00873	100.0
89.02434	0.4
92.11707	0.7
117.00624	0.4
118.52925	0.3
231.91531	0.4
313.23932	2.7
371.47787	0.4
400.51660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39135	1.8
59.01393	100.0
61.98822	9.3
71.01385	85.2
72.99287	2.6
74.81666	2.2
78.95914	2.2
83.01370	3.8
85.02918	4.8
87.00881	2.2
89.02438	92.3
101.02441	20.8
112.32851	2.4
113.02439	16.3
119.03492	10.2
141.01654	2.4
143.03473	3.8
179.05569	18.4
239.20889	2.4
277.21661	4.9
279.23428	2.5
295.22852	27.9
377.22614	2.7
447.36819	2.3
474.89670	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	476.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94690	0.2
59.01386	23.2
59.18377	0.2
60.01722	3.3
60.48320	0.2
61.01809	3.8
61.98835	100.0
76.57661	0.2
76.72804	0.2
78.95900	7.2
81.22243	0.2
92.12407	0.2
92.66164	0.2
96.96921	0.4
99.08164	1.2
129.09244	1.4
152.99660	0.6
162.80188	0.2
163.87709	0.2
171.00694	1.1
173.01134	0.2
183.13911	2.6
184.14328	0.4
191.02539	0.3
255.62665	0.2
277.22003	0.3
313.23901	5.0
314.24283	2.8
426.32037	0.3
475.26459	1.6
476.27136	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	476.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73034	0.2
55.00366	0.2
59.01384	6.7
60.01715	1.2
61.01799	0.7
61.98833	100.0
67.17153	0.2
72.60453	0.2
76.01215	0.2
78.95914	0.2
82.18813	0.2
90.48036	0.2
92.12377	0.3
92.52309	0.2
106.32477	0.2
118.92544	0.2
130.66687	0.2
167.44406	0.2
201.11400	1.2
257.74448	0.2
313.23743	1.9
314.24173	1.3
380.34680	0.2
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(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
50.03177	0.2
61.01231	0.2
61.98827	1.2
62.96412	0.2
64.62495	0.2
67.06615	0.2
78.95896	100.0
92.12401	0.4
96.96320	0.4
96.96948	8.8
112.63705	0.2
140.01210	0.2
150.98053	0.3
152.99576	15.3
171.00633	18.1
181.63850	0.2
204.89745	0.2
228.79030	0.2
402.24200	1.4
476.27859	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88697	0.1
59.01398	0.1
72.02879	0.1
72.73846	0.1
78.95905	6.5
91.17506	0.2
102.85896	0.1
122.00100	0.2
122.02469	0.1
125.77836	0.1
140.01173	2.2
152.99602	0.5
196.03821	1.1
201.99387	0.1
214.04912	2.5
250.57857	0.2
261.22174	0.5
279.23291	100.0
280.23611	2.8
432.75592	0.2
447.26263	0.2
476.27832	10.9
477.28214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81366	0.2
54.07703	0.2
55.43231	0.2
60.48989	0.2
62.16718	0.2
78.95898	24.7
83.05019	0.2
86.05622	0.2
92.12354	0.5
92.19193	0.2
100.46207	0.2
107.69270	0.2
115.77318	0.2
122.00116	1.2
140.01178	7.5
152.99606	1.8
154.85371	0.2
154.97227	0.2
166.02676	0.2
196.03798	10.2
214.04848	1.9
261.22244	0.4
279.23300	100.0
280.23856	0.3
326.10193	0.2
392.56192	0.2
476.27856	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2267
Annotation	Epothilone A2
Peak:m/z	Relative Intensity
51.09729	0.8
51.73455	0.7
58.43790	0.8
61.98812	3.4
63.83687	0.7
65.79456	0.7
73.10234	0.7
86.06122	1.7
87.04488	0.7
99.00879	1.8
99.92569	38.6
100.93349	9.3
105.24305	1.1
115.04004	4.1
115.92059	100.0
116.07156	2.0
116.92060	1.8
116.92828	16.9
125.92892	1.8
198.97044	1.0
202.96492	1.3
215.29590	1.0
309.27997	2.0
310.28250	3.5
339.10727	1.0
432.22098	1.5
460.15994	1.2
460.21371	8.6
474.19519	3.5
478.22717	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	478.227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56933	2.1
54.83366	1.8
59.01405	1.9
61.98840	100.0
74.99098	1.7
77.00251	2.7
77.00664	48.5
116.92880	3.0
118.73977	1.9
192.47310	1.9
274.34894	2.2
281.24875	8.7
287.38666	2.0
337.21756	88.8
415.23138	47.4
425.68552	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	478.294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84307	0.1
54.19115	0.1
56.87377	0.1
65.66253	0.1
78.95898	6.0
78.96365	0.2
121.40491	0.1
122.00133	0.2
123.78096	0.1
126.40911	0.1
140.01175	2.2
152.99567	0.6
196.03780	0.9
206.09305	0.1
214.04883	2.0
281.24850	100.0
282.25183	1.7
478.29404	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	478.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93550	0.2
59.01343	0.2
61.98818	0.5
73.21506	0.2
78.95896	20.6
90.44862	0.2
92.12385	0.5
97.79596	0.2
122.00106	0.5
140.01175	6.0
152.99579	1.7
196.03813	7.9
214.04889	1.7
220.80345	0.3
261.06219	0.3
281.24860	100.0
282.25229	1.6
287.92773	0.2
304.64023	0.3
406.84744	0.3
478.29434	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	478.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35929	0.2
53.01978	0.2
54.82756	0.2
64.34471	0.2
70.90030	0.2
78.95895	100.0
94.31747	0.2
96.96946	8.9
138.70229	0.3
150.77286	0.3
150.98019	0.3
152.98340	0.6
152.99577	15.6
171.00632	18.0
249.15268	0.3
282.75793	0.3
329.58731	0.3
355.18942	0.3
404.25836	1.6
478.29419	53.7
479.29776	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	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.5
58.43650	0.9
59.01386	22.0
59.12715	1.3
61.98824	2.6
71.01375	18.1
71.05039	1.5
72.99292	2.8
73.02930	2.0
75.00859	12.6
83.01418	1.7
85.02545	1.1
85.02949	18.9
85.06564	1.6
87.00848	6.3
89.02408	6.6
93.03491	1.3
95.01366	2.9
97.06552	2.0
99.00892	10.1
101.02434	2.6
108.94102	1.1
111.08170	1.7
113.02437	19.7
115.00362	1.7
116.92851	18.1
135.04485	1.6
137.02444	1.6
141.88037	1.4
170.22508	1.1
183.13884	2.6
229.14436	41.5
249.06158	13.7
276.45566	1.6
479.21304	100.0
480.21222	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45157	0.5
54.08528	0.6
55.01888	1.4
57.03450	2.5
59.01388	100.0
64.43501	0.6
67.17425	0.6
69.14616	0.5
71.01379	11.5
72.81127	0.6
73.02953	4.3
75.00883	0.7
83.01391	3.4
85.02958	7.5
89.02434	1.2
92.65674	0.6
95.01389	0.9
99.00884	1.0
101.02445	10.0
111.00847	0.7
113.02464	6.3
116.86783	0.6
118.51961	0.6
141.90904	0.6
147.98773	0.6
183.13924	0.7
204.04381	0.6
221.65637	0.6
248.53096	0.7
375.23883	15.6
393.24927	11.7
419.22632	8.2
435.21878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51261	3.8
51.28545	3.8
52.09317	3.9
54.90096	4.2
59.01381	6.5
61.98542	5.2
61.98833	100.0
64.70468	5.1
77.00673	42.5
78.95897	7.9
151.33778	5.3
279.23224	27.5
281.24875	20.4
282.25122	9.5
337.08179	6.5
337.21771	11.2
338.22113	60.2
383.72549	5.8
416.23514	33.4
422.49741	5.2
471.75110	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	480.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09464	0.3
56.01305	0.4
78.95895	11.2
93.24937	0.4
100.03468	0.4
137.27539	0.4
152.99576	2.9
166.32881	0.5
168.04335	2.7
186.08983	0.4
224.06924	2.3
242.08037	2.3
255.23300	100.0
256.23721	2.1
281.24866	0.6
283.25491	0.8
294.23358	0.4
480.31326	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	480.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00170	0.1
78.95898	21.9
92.12278	0.3
96.96969	0.3
98.22615	0.2
134.89523	0.2
152.99593	3.0
168.04321	3.2
198.04120	0.2
200.09920	0.2
201.93430	0.2
202.25323	0.2
204.30013	0.2
209.24055	0.2
212.33934	0.2
224.06927	7.6
242.08006	1.0
255.23306	100.0
256.23700	1.9
282.25217	0.4
283.25473	0.7
283.59021	0.2
419.23032	0.2
443.05734	0.2
480.30984	27.4
481.31165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3098
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
50.66693	0.2
51.27187	0.3
51.47266	0.2
51.67554	0.3
55.01871	0.3
59.01381	0.4
61.98829	7.7
62.44835	0.3
73.86005	0.3
77.37361	0.3
78.95895	19.5
79.26023	0.3
94.53260	0.3
116.92841	0.4
122.00129	0.6
140.01176	6.4
152.99553	1.7
196.03807	9.7
196.92526	0.3
214.04884	1.7
235.86360	0.3
257.26700	0.3
262.56696	0.3
283.26431	100.0
284.26788	1.8
353.45996	0.4
480.30994	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04138	1.2
57.03442	5.6
59.01391	21.9
61.98838	1.9
63.31899	1.1
71.01366	15.1
72.99281	8.1
73.02939	2.7
74.17844	1.2
75.00883	16.9
77.75366	1.1
85.02961	17.7
87.00858	6.6
89.02437	9.0
92.12385	1.8
96.95977	2.9
99.00847	6.4
99.08147	2.2
101.02415	2.7
113.02441	15.7
116.92827	11.7
119.04968	1.5
122.37213	1.4
131.39127	1.5
173.48285	1.7
175.02367	1.8
203.84094	1.6
229.14485	2.7
231.16000	80.5
249.06082	11.2
255.07721	1.6
337.14951	2.0
348.29532	1.4
481.22842	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	481.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63761	0.6
57.96365	0.7
59.01368	1.5
65.76758	0.6
67.03497	0.6
71.54926	0.8
74.75294	0.9
78.95894	24.2
83.05065	0.9
96.96944	1.6
113.62619	1.0
116.92802	1.2
152.99576	29.5
163.51366	0.8
168.18939	0.9
183.86975	0.8
197.60126	0.8
214.66107	1.0
227.03246	5.0
253.21719	100.0
481.25732	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76905	0.5
54.42716	0.4
54.47972	0.5
58.02974	0.9
59.01379	3.3
61.38355	0.5
61.98838	1.0
69.03484	0.6
71.01389	0.7
72.00934	0.6
73.01169	20.6
73.11296	0.5
74.02471	2.7
82.02951	2.5
84.04541	3.3
85.02953	0.6
86.02465	9.7
89.02439	0.7
92.12424	0.9
96.96012	1.1
99.92577	0.6
109.01173	4.3
111.02720	2.7
115.18280	0.5
116.92850	16.3
123.00885	5.7
124.01646	12.5
127.05150	3.0
127.08768	13.2
128.03532	81.7
129.03799	100.0
139.04001	12.4
149.09726	0.9
153.06715	3.2
171.07753	57.1
215.06754	3.7
267.07013	11.0
270.99762	0.7
354.10208	6.0
395.15512	0.6
483.14487	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	483.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	1.2
59.01375	5.3
61.98826	1.3
73.01160	9.7
74.02469	3.1
74.24348	1.1
75.52480	1.2
75.90894	1.2
82.02988	2.5
84.04549	2.8
86.02486	17.6
88.98788	1.5
89.02434	2.7
109.01147	1.3
111.02759	1.7
123.00877	5.6
124.01637	13.6
125.49779	1.3
127.05106	5.4
127.08762	20.6
128.03529	100.0
128.15750	1.2
129.03796	99.3
129.15028	1.1
138.98593	1.3
139.04005	12.6
153.06693	3.0
155.01802	1.3
171.07765	62.9
188.81331	1.5
215.06720	6.2
267.07013	15.9
298.14792	1.5
354.10086	11.8
401.65186	1.6
465.13370	2.6
483.14148	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	483.273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87316	0.2
61.85403	0.2
78.06264	0.3
78.95893	18.8
80.46877	0.3
96.96948	1.7
103.88554	0.3
117.68799	0.3
124.51442	0.3
152.99586	26.3
171.00653	1.8
223.56384	0.3
227.03185	2.4
245.04312	0.7
255.23312	100.0
256.23715	2.7
474.79303	0.4
483.27332	48.4
484.27548	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46590	0.3
64.63399	0.3
76.10931	0.3
78.95895	21.0
96.96932	1.8
111.86837	0.3
119.92207	0.3
152.99586	32.5
171.00644	0.6
216.42340	0.3
227.03380	2.6
245.04262	0.6
255.23308	100.0
391.22366	0.5
483.27344	47.7
484.27872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33254	0.4
56.28463	0.6
56.67664	0.5
57.03472	0.6
59.01385	8.9
61.98830	3.3
71.01376	6.4
72.99289	1.3
73.02957	0.7
74.03461	0.5
75.00871	2.1
82.95406	0.5
84.33514	0.5
85.02920	1.1
87.00869	0.6
89.02436	3.4
91.05512	1.1
93.03449	0.7
96.95985	9.7
98.95542	0.6
99.00832	1.0
99.92568	23.0
100.93362	3.4
101.02428	3.6
113.02457	1.1
115.91209	0.7
115.91423	0.5
115.92054	32.5
116.92840	100.0
117.92869	0.8
119.03505	1.0
122.02453	5.2
130.96539	0.6
135.04521	1.2
137.09712	2.5
142.94426	1.1
143.03435	0.6
156.95984	1.2
161.04631	0.9
170.93892	6.5
171.94658	0.6
184.95538	0.7
212.95186	0.6
234.99129	0.5
256.94006	1.1
273.94327	0.8
274.26846	0.7
305.10641	0.8
322.12997	0.9
362.14459	0.6
467.02924	3.3
485.04007	13.0
485.17108	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	485.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01383	52.0
69.03436	1.8
71.01376	24.4
73.02940	38.2
75.00824	1.0
81.03439	0.9
83.01379	9.3
83.05018	10.0
85.02945	1.6
88.67001	0.7
89.02424	5.4
91.05511	1.2
93.07076	3.8
96.95987	1.6
101.02424	22.5
104.41078	0.8
107.04938	1.2
113.02451	4.4
116.92841	5.3
119.05021	2.1
133.10228	9.7
137.09698	0.9
145.06567	12.1
149.09734	6.7
157.10201	2.0
158.07352	1.1
159.08089	7.5
160.08922	77.5
161.04546	1.0
168.36183	0.9
173.09709	13.6
175.11263	100.0
176.11562	1.8
178.58261	0.9
219.10260	82.7
220.10631	1.8
225.16469	0.8
272.15558	1.0
284.62543	0.9
393.21960	0.9
399.16534	13.3
402.69623	0.9
441.17679	50.2
442.18179	3.4
475.59344	0.9
484.30423	3.9
485.17261	1.0
485.30643	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	485.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68753	0.5
53.60203	0.5
55.01875	1.1
58.00594	0.6
59.01385	30.9
59.08624	0.5
61.98801	0.7
63.17958	0.6
64.59492	0.6
71.01379	26.9
72.99295	2.5
73.02939	8.6
75.00851	0.9
78.95934	1.0
82.95421	1.5
83.01364	3.1
85.02953	9.9
86.00062	1.0
87.00877	7.5
89.02435	13.7
92.84867	0.6
95.01375	2.7
96.96000	7.2
96.96934	1.2
98.95558	1.4
99.00851	4.1
101.02425	17.1
113.02444	8.6
116.92824	1.2
119.03464	4.1
123.85828	0.6
131.03525	6.1
143.03519	0.8
145.07687	1.5
146.04852	1.0
159.02991	1.2
160.06429	8.3
161.04552	6.3
161.07198	81.8
175.08751	32.6
179.03519	0.8
179.05644	0.7
187.08742	4.3
189.06691	90.0
190.07036	0.9
203.08290	21.7
210.86008	0.6
221.06683	5.5
222.27988	0.6
229.09784	2.4
305.11411	8.3
323.12445	1.0
467.16614	1.1
485.17706	100.0
486.18094	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	485.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52570	2.3
53.56570	2.0
56.13265	1.9
56.25032	1.9
57.03436	9.6
58.00589	2.2
59.01381	100.0
61.98834	4.2
71.01378	80.7
72.12975	2.0
72.99305	4.6
73.02945	22.4
75.00865	5.0
81.81065	2.8
82.95417	52.4
83.01400	3.1
85.02953	19.1
87.00857	5.0
89.01947	3.7
89.02447	64.9
95.01382	3.0
96.95990	28.4
97.02947	3.4
98.95554	4.5
99.04494	5.2
101.02432	54.0
101.06065	34.9
105.15337	2.3
113.02447	38.0
119.03496	26.2
125.02441	20.9
127.25982	2.5
129.15305	2.0
131.03503	5.5
141.40218	2.5
143.03461	10.7
149.75789	2.2
161.04552	25.2
179.05583	25.1
221.06638	15.6
263.07620	3.7
323.09860	32.5
380.22437	2.6
415.55389	3.6
425.07608	3.4
425.23947	15.8
485.18988	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52570	2.3
53.56570	2.0
56.13265	1.9
56.25032	1.9
57.03436	9.6
58.00589	2.2
59.01381	100.0
61.98834	4.2
71.01378	80.7
72.12975	2.0
72.99305	4.6
73.02945	22.4
75.00865	5.0
81.81065	2.8
82.95417	52.4
83.01400	3.1
85.02953	19.1
87.00857	5.0
89.01947	3.7
89.02447	64.9
95.01382	3.0
96.95990	28.4
97.02947	3.4
98.95554	4.5
99.04494	5.2
101.02432	54.0
101.06065	34.9
105.15337	2.3
113.02447	38.0
119.03496	26.2
125.02441	20.9
127.25982	2.5
129.15305	2.0
131.03503	5.5
141.40218	2.5
143.03461	10.7
149.75789	2.2
161.04552	25.2
179.05583	25.1
221.06638	15.6
263.07620	3.7
323.09860	32.5
380.22437	2.6
415.55389	3.6
425.07608	3.4
425.23947	15.8
485.18988	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.4
59.01369	1.1
78.95901	3.8
79.95719	1.9
92.11742	0.3
96.00918	0.4
96.95997	100.0
96.96886	6.0
98.06628	0.2
149.35536	0.3
154.72414	0.3
226.25438	0.3
386.10388	0.3
439.32516	0.4
485.32697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3121
Annotation	Discarine F
Peak:m/z	Relative Intensity
50.68720	0.6
54.88814	0.5
56.18595	0.6
57.03453	100.0
59.01384	17.4
61.98825	1.2
75.04869	0.7
81.03436	2.6
99.04507	49.1
101.01766	1.0
101.02425	24.7
111.81641	0.6
112.30559	0.6
120.14738	0.7
124.54462	0.6
125.02467	0.8
137.09665	1.2
161.04596	0.9
189.99487	0.6
213.18639	1.4
263.68900	0.7
276.24109	0.8
323.25964	1.4
341.26935	1.6
394.83734	0.7
419.29315	0.7
455.31509	1.0
480.46045	0.8
485.24319	1.0
485.31226	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24138	0.4
57.03463	100.0
59.01392	14.7
61.98841	0.7
69.77985	0.4
71.01382	0.6
71.05043	2.2
78.00255	0.5
81.03460	5.2
83.01424	0.5
89.02448	0.9
96.96024	0.5
97.06599	0.8
99.04513	41.3
101.02433	21.3
101.03050	1.0
115.07683	2.8
135.08165	3.8
155.14439	1.0
161.04588	0.8
197.15454	5.3
213.18617	10.1
249.15157	2.2
257.21249	0.8
291.17978	0.5
305.17642	4.6
341.27173	0.9
349.01801	0.5
361.13983	0.5
445.62308	0.5
485.25067	0.5
485.31369	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	485.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29637	2.0
52.27188	1.4
54.88353	1.7
57.03447	3.3
62.18211	1.8
70.84445	1.8
83.05026	14.1
94.98893	1.9
99.39648	1.9
109.06573	3.2
111.08152	100.0
114.39103	2.1
149.98077	1.9
173.08157	32.8
229.10721	23.4
247.11906	17.3
255.23311	68.2
259.97000	2.4
485.34930	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	486.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07649	0.3
58.59146	0.3
59.01388	3.7
59.97701	0.3
61.98833	0.8
65.45428	0.3
86.76665	0.3
86.77459	0.3
88.04038	58.6
147.08110	3.7
149.09729	1.9
161.09703	1.5
163.11279	5.0
170.11853	1.4
187.11264	4.1
189.10667	0.4
190.51732	0.4
197.88435	0.3
222.29582	0.4
254.50725	0.3
265.12341	0.8
279.13870	1.3
280.14722	2.3
307.17133	1.3
309.22391	2.2
321.18637	0.6
322.19431	0.6
337.21777	100.0
338.22095	4.1
382.27563	0.7
486.26868	15.0
486.33487	0.7
487.27036	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43241	1.3
56.53913	1.7
57.03447	7.9
59.01381	100.0
61.98826	10.3
71.01376	40.0
72.99294	2.3
73.02590	2.3
73.02945	46.3
73.04057	1.5
75.35597	1.7
78.12103	1.5
78.95874	2.0
82.95399	3.8
83.01366	9.4
85.02930	12.9
85.86783	1.5
87.00851	3.0
89.02438	17.2
96.95998	36.6
96.96950	2.3
99.00882	2.5
101.02429	37.1
108.04536	3.5
113.02429	16.8
116.92855	2.2
117.03437	11.1
119.03521	3.4
119.04999	20.6
122.03724	2.4
125.93249	1.7
128.03470	2.7
130.08699	3.1
134.03722	8.9
135.04570	2.3
139.07651	3.5
143.03522	3.4
145.02957	35.2
151.07640	8.5
153.09288	2.0
161.04521	8.0
161.05978	2.0
161.09735	2.3
163.04010	14.3
163.07658	3.1
178.02637	2.7
179.10779	4.1
189.08920	1.9
191.10707	2.3
193.05063	7.4
193.12181	2.2
200.25746	1.7
203.10788	18.3
206.09526	2.2
221.11800	24.4
277.50696	1.9
278.57849	2.0
307.66620	1.7
365.91235	1.8
383.17297	2.7
487.18442	24.9
487.30728	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	487.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
57.03448	7.6
58.00573	0.5
59.01382	62.3
61.93938	0.4
61.98826	4.7
62.85417	0.4
70.47945	0.4
71.01376	17.8
72.99290	0.7
73.02538	0.8
73.02938	21.7
77.67168	0.5
83.01377	4.4
84.02174	0.5
85.02931	7.0
87.00863	2.8
89.02432	5.4
95.01344	0.8
96.11409	0.5
96.95988	2.1
97.02905	0.6
99.00848	0.8
99.04443	0.4
101.01753	0.7
101.02422	17.2
103.92285	0.4
113.02454	5.5
116.92823	2.4
119.03495	0.9
119.08661	3.4
121.06556	2.8
125.02441	0.5
128.03503	0.5
137.09706	48.1
143.03461	0.7
149.09691	0.8
161.04498	1.1
161.09692	1.1
163.11229	0.5
170.51982	0.5
177.12834	6.8
191.07292	0.4
195.13957	0.6
205.12350	1.7
221.11826	4.5
223.13313	3.4
239.12872	43.1
240.13203	0.9
323.71838	0.5
383.16818	0.6
401.18155	10.9
443.19232	100.0
444.19476	4.2
487.18240	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82798	0.3
57.77829	0.2
59.01375	1.4
61.98812	0.2
65.30878	0.2
69.69577	0.3
71.02277	0.2
75.00905	0.4
94.52221	0.3
99.92576	12.7
104.35900	0.3
114.93434	0.4
116.92857	100.0
117.92866	1.5
132.02176	0.4
133.02951	1.6
134.03720	1.3
160.01656	4.8
161.02448	0.6
175.03981	6.4
179.03477	0.3
193.05045	0.4
301.14362	0.3
307.26190	0.3
311.22531	0.6
429.06003	0.3
457.14044	0.3
487.26630	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	487.306
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
57.78091	0.5
78.60524	0.5
80.15240	0.5
88.84341	0.5
92.11744	0.5
135.54996	0.5
342.36777	0.5
451.33371	1.9
482.66724	0.6
487.30618	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23848	0.3
59.01381	0.7
61.98824	1.7
80.63777	0.4
87.06010	0.4
116.92868	0.6
120.05806	1.7
135.08154	100.0
136.08504	1.8
140.03619	0.4
140.04840	0.4
147.08176	0.4
152.04820	0.6
163.11276	34.8
311.20190	52.8
312.20547	2.2
350.01074	0.5
388.89758	0.4
403.64999	0.4
443.37637	0.4
444.61969	0.5
487.32248	22.6
488.32626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
59.01392	17.5
81.03451	1.5
92.11736	3.9
99.03870	2.0
99.04514	54.1
101.02428	22.8
106.29210	1.1
187.91406	1.2
314.32855	1.5
325.27811	2.1
364.01569	1.2
487.32831	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	488.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77546	0.3
59.01387	3.3
59.79590	0.3
61.98832	5.1
63.17742	0.3
64.34332	0.3
71.01373	3.3
72.89030	0.3
73.02956	0.4
75.00840	0.5
85.02957	1.5
87.00872	0.4
89.02444	2.0
96.95979	0.7
101.02429	1.9
107.03786	0.8
108.04555	100.0
113.02462	1.6
118.02984	26.1
120.04559	1.4
127.17582	0.3
134.02490	2.4
134.03798	0.3
136.04041	19.2
148.03932	0.4
164.03534	72.2
221.06631	0.4
247.97765	0.3
488.14099	26.4
489.14893	0.5
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
53.67984	0.2
59.01383	0.2
70.02966	1.0
71.01369	0.4
72.04585	0.2
72.99339	0.2
74.02467	5.1
76.70076	0.2
79.43634	0.2
82.02979	0.3
84.04539	2.6
85.02911	0.7
89.02420	0.4
92.11741	0.7
98.02478	1.3
101.07207	0.3
102.05597	47.4
103.05899	0.3
104.03538	0.4
105.16682	0.2
109.04058	0.5
116.03532	3.8
127.05143	2.0
128.03525	34.2
129.01900	0.4
129.03909	0.5
135.40224	0.2
144.39064	0.3
145.05130	0.4
145.06200	9.5
146.04590	100.0
146.06500	2.8
147.02992	0.4
147.04938	0.5
150.12494	0.2
179.05417	0.3
214.39362	0.2
315.48477	0.2
449.05133	0.2
449.37775	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81089	0.5
59.01381	1.2
59.09611	0.5
61.98836	0.9
72.23381	0.5
78.95898	34.1
116.92840	1.2
136.01735	0.7
152.99554	3.3
154.02759	6.5
175.74110	0.5
210.05382	11.6
228.06403	2.7
277.21725	100.0
278.22073	2.1
359.04169	0.6
383.88727	0.6
488.27808	28.7
489.28220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37437	0.9
54.83012	1.0
56.51257	0.9
57.03437	0.8
59.01110	1.3
59.01393	36.1
60.01275	0.9
61.98849	1.9
71.01389	16.3
71.51861	0.8
73.02959	8.7
80.96503	1.8
82.95411	6.3
83.01380	2.3
85.02953	9.7
87.00851	4.1
89.02432	10.1
95.01353	1.6
96.96002	78.1
99.92602	8.8
101.02438	14.6
103.00385	1.4
107.81358	1.0
109.34306	0.9
110.88947	1.2
113.02453	6.5
115.92107	1.0
116.92847	63.8
117.92854	1.0
119.01374	5.7
119.03510	2.5
120.93559	0.9
121.02927	8.5
121.05046	1.6
122.97571	1.0
125.02400	1.9
126.44038	0.9
134.03702	1.6
136.36060	1.0
138.97064	4.7
147.00894	2.4
149.02437	25.5
150.03267	1.2
152.01161	1.2
161.04477	1.2
163.04016	3.9
164.04779	19.6
165.01932	1.2
175.00366	35.5
179.07147	1.7
190.02719	100.0
191.03415	1.1
205.05069	83.4
206.05743	1.2
208.03859	1.5
222.81509	1.0
223.06139	27.9
241.00162	3.8
265.07159	2.1
371.09674	1.2
385.18619	1.6
403.19684	2.3
427.83304	1.3
471.02570	1.3
489.15536	37.3
489.20419	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.4
59.01384	100.0
60.01712	0.3
61.98849	0.4
70.73534	0.4
71.01379	4.3
73.02951	2.3
82.95436	0.8
83.01417	0.6
85.02975	2.1
88.75249	0.3
89.02454	1.7
99.00871	0.4
99.04529	0.8
99.92562	0.5
101.01885	0.6
101.02412	3.5
102.02740	0.3
110.67405	0.4
113.02464	2.7
115.92110	0.5
116.92857	4.9
123.04500	0.4
125.02444	0.5
137.09782	0.5
149.06067	0.4
150.76106	0.4
161.04567	0.7
165.09189	5.6
225.14954	0.5
225.68033	0.4
323.09943	0.8
345.15646	3.0
369.19199	2.7
387.16238	0.5
387.20557	3.0
429.21774	2.2
471.48013	0.4
489.20370	2.1
489.30194	4.4
513.84949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25780	0.5
54.82539	0.5
59.01387	100.0
61.83100	0.5
61.98834	2.5
63.25541	0.5
63.62550	0.5
71.01384	5.6
73.02941	2.6
82.95415	1.1
83.01382	0.6
85.02958	2.3
89.02424	3.4
90.41726	0.6
96.96001	4.3
101.02423	3.9
110.03708	0.6
111.12989	0.6
113.02429	1.5
116.92847	3.9
127.52596	0.6
139.00340	0.6
161.04601	0.8
187.86804	0.7
299.57382	0.7
351.18295	1.1
369.18961	0.8
387.20288	3.7
429.21118	2.4
489.20535	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	489.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49575	0.3
51.59817	0.3
54.59741	0.3
57.21151	0.3
59.01394	5.1
59.45016	0.4
61.30425	0.4
61.98840	100.0
64.35024	0.4
74.13484	0.3
75.59914	0.4
102.54214	0.3
140.92410	0.4
147.04556	0.8
164.07202	1.9
165.13780	0.4
181.87569	0.4
267.07800	3.1
283.11041	27.5
284.11554	0.4
300.07855	1.8
309.06277	0.4
426.30423	2.4
489.28192	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	489.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
65.65970	1.2
69.03455	1.1
70.80476	1.1
80.83428	1.2
85.02941	10.8
95.05024	9.9
97.06559	2.0
107.05032	13.0
108.02194	1.6
108.89056	1.1
116.92706	1.2
123.04500	17.7
125.06044	2.1
126.71719	1.2
135.04503	1.8
157.74754	1.2
283.11053	7.1
341.28433	7.1
343.30112	11.3
355.30185	4.8
357.27835	2.2
357.31546	18.1
359.29434	2.9
361.31192	7.9
371.29437	6.5
371.33435	2.6
373.30661	1.6
373.34818	21.8
374.35318	1.6
375.29053	6.2
382.98959	1.3
383.33112	15.7
385.31192	4.6
389.30545	1.8
399.27930	1.3
399.32870	12.0
401.34274	16.7
409.31049	5.4
427.32187	40.1
445.33295	100.0
446.33423	2.2
489.32065	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	490.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63445	0.3
50.87501	0.3
59.01399	0.4
61.98822	0.7
76.16717	0.3
78.95895	6.2
92.94530	0.3
93.05924	0.3
95.16505	0.3
97.48038	0.3
110.80711	0.3
128.52843	0.3
136.58867	0.4
152.99673	0.3
154.02777	1.7
164.69392	0.3
210.05388	1.3
228.06491	2.2
261.22131	0.4
279.23300	100.0
280.23758	2.2
490.29388	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	490.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91234	0.3
64.37437	0.3
78.95895	26.5
84.52632	0.3
89.33185	0.3
92.11739	0.8
122.98600	0.4
136.01701	0.4
152.99597	2.2
154.02731	5.8
157.22482	0.3
157.24911	0.3
210.05396	8.3
228.06546	1.8
279.23300	100.0
280.23648	5.4
403.64462	0.4
490.29410	26.0
491.29443	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1189
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.88137	0.8
54.39856	0.7
59.01378	1.8
77.00349	0.9
77.66065	0.8
79.90909	0.9
83.05011	0.9
92.65630	0.9
97.90385	1.2
99.24233	1.0
109.29884	1.0
112.26085	0.9
115.75832	1.0
116.92845	3.8
132.89301	1.0
161.02393	5.3
176.97165	1.0
185.02440	1.1
198.03185	6.0
199.04095	1.6
202.02744	5.0
203.03467	1.0
214.02739	1.8
215.03436	1.5
225.02057	1.1
226.02695	22.6
227.03552	13.9
241.59686	0.8
242.02205	5.3
243.03001	21.9
253.01459	4.8
270.01718	18.9
271.02487	30.4
274.01309	1.4
284.03290	4.5
285.04034	35.8
299.01953	24.4
300.02719	1.8
312.02997	1.2
313.03558	48.6
314.04346	8.2
327.05145	3.9
328.02222	1.7
328.05841	8.3
329.06567	1.5
343.04419	5.7
410.51880	1.0
461.07269	32.9
476.09601	19.0
491.11942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71836	0.8
55.86583	0.7
56.78717	0.8
58.73341	0.9
59.01160	0.9
59.01393	13.9
65.00317	1.4
71.01376	10.7
73.02955	2.3
81.58203	0.9
85.02948	1.4
87.00835	1.1
89.02444	9.5
91.01879	9.8
92.65273	1.2
92.87070	0.8
95.01379	1.3
101.02431	6.4
108.02163	6.3
108.04526	1.1
109.02958	1.1
109.68434	0.9
111.00864	1.7
113.02401	4.4
119.03450	2.3
123.04529	35.7
124.01617	1.1
125.02446	1.2
150.82742	0.9
152.01193	9.3
161.04491	1.3
167.03496	100.0
209.04631	4.0
221.06641	1.7
304.09631	1.1
308.55386	0.9
323.10007	3.9
343.07825	1.1
353.45062	0.9
365.55545	0.9
491.18506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15267	1.3
50.62998	1.3
51.23350	1.3
59.01388	18.2
61.61955	1.3
69.73133	1.6
71.01378	9.9
73.02946	2.2
85.02946	2.6
87.00851	2.0
88.81918	1.6
89.02436	8.9
91.01907	6.9
92.65870	1.8
101.02440	11.2
108.02192	4.1
113.02434	2.1
119.03494	1.7
123.04511	32.9
152.01181	10.7
167.03496	100.0
179.05582	2.4
187.21271	1.8
209.04640	1.9
257.38293	1.9
285.27328	1.8
323.09924	3.1
413.20596	1.7
455.18073	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	491.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95844	0.8
58.16295	0.9
58.86795	1.0
59.01146	1.0
59.01384	15.3
59.83015	0.9
59.86558	0.9
61.98818	4.7
65.03314	1.1
65.37871	1.1
71.01367	2.5
73.02930	1.4
73.34276	1.2
85.02937	1.3
90.32721	1.0
101.02443	1.8
113.02435	1.4
116.92858	13.5
121.02956	5.4
122.03720	2.2
129.78995	1.1
137.02357	1.5
143.05045	1.2
147.04523	2.3
149.02423	2.5
150.03201	10.2
158.03725	5.8
159.04509	17.6
159.63383	1.2
160.05287	55.0
161.04713	1.6
161.06055	18.0
163.03999	9.8
164.04781	7.4
173.06044	6.9
175.07645	42.9
177.05624	10.2
178.06325	9.6
179.16695	1.2
193.08679	4.9
213.44463	1.1
237.29356	1.4
243.12428	4.4
312.98569	1.2
329.13968	100.0
416.14380	1.3
447.21933	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82871	0.5
59.01387	5.3
61.98827	1.0
63.67303	0.6
71.01374	3.7
71.66377	0.5
72.74098	0.5
73.02919	0.8
76.10598	0.5
78.95875	0.6
85.02948	0.6
89.02448	2.6
101.02408	2.6
113.02445	0.8
113.27087	0.6
159.51755	0.5
169.31505	0.6
196.89423	0.7
235.08267	0.6
247.50734	0.7
253.09293	8.6
255.23314	100.0
332.76215	0.7
431.40735	0.6
481.80420	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82769	0.1
59.01375	0.7
61.98830	1.6
78.95882	0.6
92.11798	0.2
99.00859	0.1
99.92574	12.5
100.08472	0.2
108.08267	0.2
114.93466	0.1
116.07133	0.2
116.92850	100.0
117.01935	0.2
117.92852	1.9
223.17087	0.2
233.78882	0.1
283.35431	0.2
295.22888	1.0
311.22266	0.3
312.22614	0.5
313.23697	0.2
317.40964	0.2
386.47522	0.2
492.27158	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2425
Annotation	Epothilone C7
Peak:m/z	Relative Intensity
51.20545	0.8
58.74440	0.9
59.01383	2.0
61.98824	5.0
72.99294	2.1
83.80491	1.0
89.83683	1.0
90.07830	0.9
99.92571	36.8
100.81359	0.9
100.93372	9.9
115.92068	100.0
116.92087	1.5
116.92848	16.8
129.05586	2.4
130.08731	4.8
184.08191	1.1
212.98671	4.8
216.98085	4.7
241.52963	1.0
262.22049	1.0
446.23404	1.3
474.23230	12.1
488.20782	1.5
492.24216	44.9
493.24347	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	492.2738
Annotation	Epoxycytochalasin H
Peak:m/z	Relative Intensity
57.12599	0.6
59.01375	0.9
61.56760	0.5
61.98827	0.6
73.93845	0.5
74.48811	0.5
76.98139	0.4
78.95903	100.0
84.97765	0.4
96.96954	8.7
107.56944	0.5
119.23093	0.5
120.73889	0.5
152.99583	14.7
155.85945	0.6
171.00639	20.5
295.22641	0.6
418.23358	0.9
492.27380	54.2
493.27609	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	492.274
Annotation	Epoxycytochalasin H
Peak:m/z	Relative Intensity
55.58653	1.5
62.04827	1.9
78.95901	100.0
84.13801	1.8
96.96956	3.9
107.94610	1.8
140.01204	12.7
148.61391	2.2
150.03358	1.7
152.99600	14.1
171.00648	11.2
171.10274	33.3
179.22520	1.8
196.03816	10.4
277.21768	43.2
295.22775	54.4
492.27335	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.31
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
61.98831	0.7
78.95896	23.8
104.45098	0.4
116.43668	0.4
116.92848	0.4
136.01704	0.6
152.99586	3.7
154.02762	4.6
210.05367	8.6
228.06458	1.8
281.24857	100.0
282.25177	2.3
392.94162	0.4
416.85303	0.4
489.21735	0.4
492.30991	29.2
493.31381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95583	2.3
56.04995	2.6
56.09845	2.6
57.03469	2.3
59.01114	3.8
59.01383	88.1
62.29869	2.4
69.03428	11.6
71.01377	71.4
71.19172	2.4
73.02924	12.1
75.79803	2.6
81.03430	3.2
82.78534	2.6
83.01382	6.1
85.02940	22.1
87.00848	11.0
88.56878	2.7
89.02434	54.5
95.01363	6.3
97.02918	14.4
97.04002	2.4
101.02438	40.4
111.00851	12.5
113.02447	22.4
119.03516	25.6
123.00856	5.1
124.01623	29.5
125.01537	4.7
125.02437	100.0
131.03403	3.1
139.00385	24.3
143.03497	4.2
149.99599	37.8
152.89470	2.6
153.01897	4.7
154.02719	14.3
161.04565	5.1
164.07179	3.1
168.00618	70.4
169.01366	4.3
169.05063	5.0
179.05667	4.0
191.02014	4.4
211.84439	2.9
214.46576	2.9
221.06630	11.8
263.07849	4.7
323.09848	16.8
493.11853	80.2
494.12497	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	493.2291
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
55.01884	1.8
57.03441	2.3
59.01112	1.7
59.01382	40.0
71.01379	19.4
73.02934	6.1
75.00851	1.6
76.82874	1.2
77.70619	1.2
78.82383	1.0
83.01375	2.9
85.02944	9.1
87.00842	1.4
89.02418	6.8
95.01367	1.1
99.00861	7.3
99.92574	1.9
101.02421	11.9
108.88475	1.4
111.11695	1.2
113.02437	6.3
116.92850	25.9
171.58745	1.2
181.12563	1.3
199.13463	7.2
305.43372	1.4
343.17896	2.0
361.18713	37.3
414.42709	1.5
433.24374	2.1
493.22940	100.0
494.23358	1.5
513.53589	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	493.2813
Annotation	Herkesterone
Peak:m/z	Relative Intensity
57.46273	0.6
59.01371	3.2
61.98809	1.3
62.63182	0.6
78.95877	1.0
89.83626	0.7
94.56925	0.6
105.01920	8.0
107.37534	0.7
121.31135	0.7
123.93144	0.7
127.11280	1.1
133.02946	23.1
134.03699	1.3
135.04506	9.9
137.09843	0.7
157.12376	0.8
161.02441	100.0
162.02739	0.8
179.03531	1.1
201.11327	0.8
216.23280	0.7
225.89777	0.8
285.50616	0.7
313.23941	2.8
331.24942	13.3
475.16159	0.7
475.26840	1.2
493.28088	49.5
494.28198	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48472	0.4
58.00592	2.7
59.01385	6.8
61.98821	2.2
63.84187	0.4
71.01368	5.3
75.57370	0.5
78.91902	0.6
89.02453	5.1
89.37947	0.4
91.26662	0.4
96.95985	2.1
99.08150	15.3
101.02455	2.5
111.35667	0.5
114.39069	0.6
116.92847	1.2
124.50058	0.5
127.07655	2.2
129.08235	0.8
129.09204	23.9
157.12337	1.3
183.13895	42.8
195.13962	3.8
277.21771	3.3
284.84555	0.7
293.21533	0.6
295.22824	10.2
300.38147	0.5
311.22229	0.6
313.23871	100.0
314.24292	3.2
335.22095	7.6
410.42719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19595	0.7
55.01861	0.8
59.01389	30.9
61.98852	2.7
63.89622	0.6
71.01381	31.1
71.62479	0.8
72.99306	1.5
73.02956	1.3
75.00880	1.1
78.95875	1.6
80.08709	0.7
83.01375	1.3
85.02959	3.2
87.00880	1.2
89.02444	30.3
96.95993	1.2
99.92572	3.8
100.92593	1.7
101.02436	11.7
113.02431	5.8
116.92854	41.6
117.92860	18.5
118.92658	1.8
119.03496	3.1
143.03490	0.9
155.10785	1.6
155.62982	0.8
161.04579	1.6
171.10237	3.5
179.05608	7.3
247.88658	0.9
295.22803	7.0
311.22141	2.9
313.23889	100.0
314.24228	1.7
324.40512	0.7
433.17239	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.365
Annotation	Unknow
Peak:m/z	Relative Intensity
62.87933	3.5
68.35867	3.8
84.00918	100.0
92.11971	9.3
105.25333	4.6
114.39769	3.7
121.85177	3.9
148.52208	4.2
197.51379	4.8
212.96080	4.4
223.04465	3.9
322.20532	4.0
335.33212	34.3
381.33679	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.9
61.98834	100.0
71.01379	0.8
73.02943	0.7
77.17004	0.3
80.04620	0.3
82.95417	0.5
85.02973	0.7
89.02437	0.5
92.11798	0.5
100.86546	0.3
101.02437	0.8
110.00118	0.7
116.92800	0.4
125.02455	0.5
137.99602	2.3
153.01927	55.5
168.04265	59.4
169.04794	0.5
183.06612	42.5
188.58447	0.4
367.32947	0.4
389.21619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26492	0.7
59.01378	10.6
64.34315	0.8
71.01366	8.9
78.95924	1.1
87.08817	0.9
89.02443	13.8
92.11743	2.3
101.02428	5.8
101.85726	0.9
113.02448	4.7
119.03496	3.8
131.03435	1.0
152.99609	4.9
161.04539	3.3
179.05617	5.5
180.79446	1.1
215.03294	5.9
250.20799	1.1
341.10910	30.1
377.08591	100.0
474.05392	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99591	2.5
59.01158	2.5
59.01384	44.4
71.01376	7.2
73.02936	3.8
73.89192	3.1
83.01350	4.0
83.05028	7.0
85.02949	4.0
89.02415	3.7
112.68135	2.9
113.02423	7.3
127.24786	2.8
185.21492	3.2
225.16002	5.6
294.13245	3.8
311.56927	3.7
323.24683	3.5
403.96735	3.7
451.32883	100.0
480.33301	3.6
494.23984	5.8
494.32724	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	495.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01645	2.1
54.02618	1.3
54.44625	1.3
54.82462	1.8
57.03442	2.0
58.75083	1.4
59.01384	83.5
67.18411	1.4
71.01380	21.6
72.99296	3.9
73.02940	2.1
74.98973	2.0
75.00847	13.4
82.05077	2.2
85.02943	28.4
87.00842	8.0
89.02434	7.8
95.01357	2.3
99.00869	11.1
101.02415	2.1
102.49686	1.8
103.00342	2.0
113.02444	26.0
113.62772	1.7
116.92854	13.7
117.01948	2.4
117.92884	4.0
118.92690	8.0
165.36687	2.0
225.21991	2.2
231.05055	2.9
245.17534	4.5
249.06102	35.7
267.07236	9.2
289.47174	2.0
309.08209	12.6
363.20438	3.6
413.74139	2.0
477.23346	4.2
495.24542	100.0
496.25037	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	495.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78473	0.7
55.89407	0.7
57.03446	5.0
59.01111	1.7
59.01386	33.2
61.98823	3.1
71.01383	22.3
71.05027	1.5
72.99294	4.8
73.02932	5.1
75.00871	14.7
75.72395	0.8
85.02948	19.4
85.06568	1.6
87.00873	6.0
89.02457	8.3
90.61031	0.8
92.12381	1.0
95.01348	4.1
99.00879	9.3
101.02444	4.3
103.00379	1.1
111.00868	0.9
113.02442	17.6
113.09717	1.7
115.00368	1.6
115.94107	0.8
116.92833	3.1
117.01984	1.5
117.92861	1.3
118.92644	0.9
127.11307	1.9
227.16481	1.6
243.15871	1.4
245.17578	71.5
246.17984	1.1
249.06145	9.3
251.92482	0.9
267.07394	1.2
295.92001	0.8
314.66272	0.8
391.23358	9.6
409.24374	1.7
435.26563	1.2
477.23700	1.4
488.50177	0.9
495.24539	100.0
496.24954	1.9
506.43085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47027	0.3
59.92914	0.3
61.98828	0.5
78.49220	0.3
78.95901	68.2
91.68983	0.3
96.96954	6.6
97.55777	0.3
101.46076	0.3
116.92879	0.5
150.98024	2.1
152.99590	100.0
153.99966	0.4
171.00673	2.0
255.23393	3.7
255.25702	0.4
267.23248	0.3
288.49036	0.3
324.89307	0.3
331.15433	0.4
409.23679	35.6
410.24164	1.4
412.47775	0.4
496.26904	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	496.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78096	0.4
61.98824	0.8
64.90098	0.5
78.95901	68.4
84.53827	0.6
95.31850	0.5
96.96950	5.6
106.88386	0.6
150.98007	2.6
152.99585	100.0
157.19853	0.5
171.00636	2.8
255.23312	2.7
267.23343	1.9
268.23611	3.8
359.66858	0.5
409.23648	34.0
496.26968	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	497.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93133	1.5
53.35690	1.5
55.01875	1.7
57.03452	2.1
59.01385	54.4
61.98828	2.6
63.54948	1.8
71.01374	25.3
73.02945	4.6
73.24538	1.8
75.00859	2.5
76.35421	1.7
82.95405	2.2
83.01398	2.2
83.05028	2.4
83.97238	2.2
84.76107	1.7
85.02952	15.1
89.02446	21.0
95.01381	2.7
96.96010	3.9
99.00886	3.0
101.02436	14.1
113.02460	15.1
113.06145	1.9
115.00272	2.0
119.03527	2.5
125.06161	1.7
130.08743	1.9
133.06548	2.4
137.06020	2.3
138.06850	9.9
139.07645	16.6
141.01654	2.2
143.35661	1.9
147.68546	1.9
149.06087	2.1
149.09741	2.7
151.07652	9.4
175.07632	3.5
182.05859	2.9
191.10768	58.2
197.12660	2.4
212.78278	2.0
229.08455	8.2
235.09964	1.8
247.15646	2.3
253.10817	4.0
255.12473	3.3
260.86554	2.1
273.07544	2.4
275.09003	16.1
319.08145	4.6
319.83731	2.1
415.16113	100.0
437.14328	48.8
437.19864	6.1
497.21561	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	497.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68509	0.2
55.01898	1.8
57.03453	1.2
58.00592	0.5
58.00979	0.2
59.01392	14.3
66.17316	0.2
67.93393	0.2
69.03471	0.3
70.25288	0.2
71.00985	0.4
71.01383	12.7
72.99304	1.7
73.02950	6.6
77.90607	0.2
83.01389	3.9
85.02459	0.4
85.02948	7.2
86.00096	1.1
87.00855	1.4
89.02441	2.8
95.01389	0.9
96.95975	0.4
97.02915	0.3
99.00875	4.1
101.02438	12.8
111.00864	0.5
112.01622	0.2
113.02441	5.8
125.02396	0.4
126.93820	0.2
127.11227	1.2
129.01895	0.5
141.01929	0.3
149.99498	0.2
155.10773	0.3
157.12323	4.7
159.03000	0.5
161.04547	1.3
185.11807	0.5
203.12912	9.7
214.31604	0.2
236.35995	0.2
258.97903	0.3
265.14713	0.2
304.74585	0.2
312.12024	0.2
319.17584	2.1
347.17151	2.7
365.18182	37.2
479.21176	0.5
483.02243	0.3
490.54758	0.3
497.22440	100.0
498.22830	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	497.289
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
50.32009	0.7
52.32826	0.7
59.01398	0.7
72.60154	0.8
76.39272	0.9
78.95898	22.7
96.96945	1.3
107.27616	1.1
116.92889	1.1
137.73558	0.9
152.98354	1.3
152.99577	30.7
171.00623	1.7
179.56010	0.8
183.01143	4.6
227.03333	1.3
255.23311	3.7
256.23663	1.2
269.24860	100.0
270.25238	0.9
279.23300	2.1
296.23041	1.2
339.20010	4.5
382.37366	0.9
423.25024	1.4
497.28870	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.0
65.43909	0.5
81.03452	2.7
83.05028	11.3
85.02908	0.6
86.08008	0.6
104.43823	0.5
104.97553	0.5
118.75881	0.6
125.07191	0.7
207.15071	1.1
224.17723	2.6
225.16083	7.6
239.28062	0.7
299.33020	0.7
316.60092	0.7
324.26373	0.8
333.22906	2.3
351.24005	1.1
352.94946	0.7
367.27264	0.8
400.86258	0.7
405.24689	0.7
433.31921	5.5
451.32962	100.0
452.32947	2.9
497.33728	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	498.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	26.3
61.98822	0.9
77.29238	0.5
78.95469	0.8
78.95900	14.0
79.65057	0.4
87.88561	0.5
98.88808	0.4
98.99904	0.5
110.61314	0.4
116.58046	0.5
121.14052	0.5
143.49011	0.5
152.99519	2.2
168.04321	1.1
199.17041	100.0
200.17392	0.9
224.06894	7.1
242.07980	2.2
271.22787	0.8
292.95444	0.5
356.23511	0.6
424.24725	46.1
425.25095	0.6
512.97577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63647	0.8
56.42288	1.0
57.03459	1.7
59.01393	10.1
61.98817	2.0
71.01375	6.2
72.99310	2.4
84.93826	1.5
86.72208	1.1
88.90966	1.1
89.02399	1.5
92.65109	1.4
96.95994	7.3
99.00845	2.1
99.92576	83.2
100.93325	8.6
115.92062	100.0
116.92847	27.2
117.93668	1.9
121.02969	2.2
123.17370	1.4
126.94910	5.7
130.49852	1.5
134.03722	8.0
136.96512	1.2
139.04031	1.2
141.93575	2.1
142.94431	2.4
149.06039	1.4
149.09692	1.6
159.08083	1.6
161.09558	1.3
168.95924	2.6
170.93929	2.2
178.02684	4.5
191.10786	1.8
193.05046	10.9
195.86086	1.3
196.95471	4.6
201.09258	1.9
217.08644	1.4
226.96532	1.6
242.96082	1.8
244.97507	2.0
251.00130	1.4
277.63574	1.3
303.03302	2.8
310.11115	1.3
340.25375	1.4
463.07150	7.6
481.08102	86.8
482.08197	4.8
499.09189	7.6
510.08514	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	499.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95457	5.2
59.01389	80.9
63.76867	5.8
71.01388	70.4
73.02947	23.8
75.71422	5.1
82.22643	5.2
85.02934	30.6
89.02440	39.4
101.02441	74.6
111.00886	8.2
113.02448	26.8
119.03475	9.1
125.02420	9.8
137.87262	5.2
161.04572	9.0
179.05685	8.4
246.82285	6.5
277.12772	11.6
289.84589	5.8
323.09946	39.1
347.24762	6.2
439.18176	77.1
463.14679	100.0
499.12555	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	499.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	11.7
59.02507	1.3
60.71363	0.6
71.01396	6.7
71.02498	5.3
82.02981	1.3
85.02943	1.5
86.06117	1.5
89.02439	12.2
97.00423	54.7
100.04119	0.9
101.02429	5.4
112.04044	4.6
113.02432	5.2
113.03562	1.7
114.03082	48.0
119.03481	4.8
126.01929	1.1
131.64648	0.8
133.01427	1.2
140.01031	6.4
157.01500	2.5
157.02568	6.3
157.03667	100.0
158.04585	12.1
161.04527	1.4
179.05637	3.5
198.13597	0.8
323.10120	1.0
326.59515	0.9
341.10992	18.6
463.14645	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	499.2683
Annotation	Kadcoccilactone E
Peak:m/z	Relative Intensity
54.82729	0.4
57.03463	1.7
59.01382	1.0
61.98816	0.4
78.95895	21.5
80.65112	0.4
90.93746	0.5
95.17110	0.4
96.96963	1.0
97.06597	0.5
99.08142	6.4
116.09220	0.4
116.92863	1.8
131.56012	0.5
133.51959	0.4
136.35400	0.5
152.99576	31.8
155.14392	5.7
159.61504	0.4
166.36363	0.4
169.15936	0.5
171.00639	2.4
217.62502	0.6
225.22224	7.4
226.22896	0.5
227.03267	2.4
253.21605	1.1
269.21280	2.0
271.22787	100.0
272.23062	2.0
499.26788	63.7
500.27243	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	499.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55355	0.3
57.03239	0.2
57.03457	3.3
59.01371	0.4
61.98840	0.3
68.99572	0.3
69.03444	0.5
77.42525	0.3
83.05037	0.4
87.74154	0.3
89.59695	0.4
90.37000	0.4
95.05026	0.6
97.06577	13.9
101.13905	0.3
111.62148	0.3
114.93925	0.3
118.08804	0.4
123.08147	7.7
125.09711	100.0
143.10759	0.5
169.08662	3.2
187.08437	0.6
187.09756	35.0
243.12373	14.5
255.23306	67.2
261.13434	16.5
368.93964	0.4
465.80447	0.4
499.36475	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	501.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53709	0.5
52.67856	0.6
59.01385	100.0
73.38230	0.6
109.01744	0.7
114.98880	1.1
126.38112	0.7
132.98132	1.1
151.88007	0.7
152.83786	0.6
155.63431	0.7
156.99921	3.3
157.03569	1.2
159.01524	1.3
174.99234	28.6
201.02545	33.4
201.04408	1.3
202.02641	0.7
217.00294	95.7
299.00983	1.5
343.03528	1.0
359.01486	49.7
360.01721	1.1
399.92325	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83931	1.6
57.03439	6.2
59.01108	1.7
59.01382	39.0
68.99554	2.2
71.01380	13.0
72.99287	2.0
73.02926	9.0
77.89687	1.4
83.01379	3.5
85.02943	3.1
87.00857	2.9
89.02422	3.7
90.71314	1.9
96.96007	7.5
99.00863	2.1
99.92568	82.8
99.93224	3.2
100.93368	10.4
101.02446	11.3
112.98512	1.6
113.02468	1.9
114.93365	2.3
115.92059	100.0
116.92839	79.7
121.06532	2.7
126.94917	9.2
127.05221	1.8
137.06049	1.9
137.09698	33.3
138.06845	3.0
139.07599	12.0
141.93578	3.9
142.94400	3.8
144.35110	1.7
145.06070	2.1
151.07645	2.3
153.05499	1.8
158.07272	1.6
160.01740	1.8
168.95944	2.2
170.93938	7.0
171.94704	3.0
175.11253	1.7
184.95338	2.9
191.10744	18.7
195.06670	3.7
196.95499	3.1
239.12848	21.0
242.96025	2.9
244.97557	9.7
265.70935	1.8
276.13171	1.6
322.04874	2.0
323.06030	11.7
325.03842	3.9
402.18423	1.9
415.16238	10.8
457.17142	42.3
465.08582	3.0
483.09479	11.2
500.23413	7.2
501.10736	73.2
501.23883	8.6
502.11081	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	501.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83072	0.9
55.01874	1.5
57.03447	1.9
59.01386	67.6
71.01382	29.7
72.99297	1.9
73.02950	22.0
75.42252	1.0
75.86414	1.1
81.03457	1.1
83.01400	9.0
83.05011	1.9
85.02946	7.3
87.00840	1.4
89.02439	9.6
96.96018	2.1
99.00861	1.4
99.29385	1.1
99.92581	29.8
100.93345	2.1
101.02433	20.0
107.05007	1.6
109.06574	10.2
113.02444	6.8
114.93385	6.7
115.00322	1.2
115.92068	33.4
116.92850	27.8
119.03465	1.4
124.05270	5.3
126.94921	1.6
133.06531	2.1
137.06085	12.3
137.09662	1.9
138.06886	12.4
139.07655	27.8
143.03459	1.2
149.09721	1.9
150.75729	1.0
151.07640	8.7
153.02367	1.3
153.09178	1.4
158.07329	1.4
161.04532	2.2
173.09691	4.4
173.68445	1.1
175.07622	6.8
175.11246	1.3
191.10770	53.2
191.75888	1.1
195.06644	1.8
196.95535	1.0
209.11786	1.4
226.29970	1.3
239.12785	1.7
246.75230	1.1
250.96483	2.3
323.05927	1.7
415.15988	17.9
439.10654	2.3
457.17163	100.0
465.08340	1.7
483.09689	22.6
491.19498	1.2
501.10632	15.3
501.16797	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	501.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.3
59.01386	61.2
61.60437	1.2
61.98820	7.3
64.57085	1.6
64.93112	1.2
65.64806	1.3
70.66361	1.1
71.01374	27.1
73.02943	20.0
83.01375	3.3
83.04997	2.7
85.02936	6.1
87.00855	2.1
89.02407	8.3
92.65840	1.3
96.95985	14.3
97.38924	1.4
101.02438	14.6
109.06577	2.2
111.00896	11.6
113.02441	9.1
116.92831	5.9
121.32870	1.3
124.05283	5.6
133.06630	1.4
137.06102	2.3
138.06856	12.7
139.07631	24.2
147.08153	2.5
151.07632	7.1
158.07384	2.5
161.09740	1.6
165.09103	1.3
175.07619	5.4
178.02739	1.4
191.10768	48.3
240.17874	1.5
253.10898	3.2
354.34521	1.3
415.16040	28.8
457.17230	100.0
501.10233	1.6
501.15363	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	501.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93944	0.6
54.82814	0.6
55.01866	1.0
56.33528	0.6
57.03451	45.8
59.01381	100.0
61.98831	8.2
63.64513	0.6
71.01375	28.7
72.15948	0.6
72.99298	0.9
73.02955	6.5
73.03271	0.8
81.03432	1.4
83.01363	1.4
85.02938	8.5
87.00850	1.5
89.02432	19.8
95.01373	1.3
99.00871	1.0
99.04506	50.4
101.02426	23.4
108.50737	0.8
113.02438	12.0
116.92825	4.4
119.03482	5.3
122.42518	0.7
125.02428	31.3
140.08130	0.7
143.03490	2.8
156.10100	0.8
161.04553	10.4
177.09206	4.1
179.05544	1.2
195.10255	4.5
335.82645	0.8
339.14569	3.1
353.19257	0.7
357.15533	17.1
374.75381	0.8
399.16641	19.7
439.19833	3.5
446.66031	0.9
456.45068	0.9
457.20831	6.0
481.66052	0.9
501.19778	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	501.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14069	0.4
52.85086	0.4
57.03460	100.0
59.01389	23.5
68.66936	0.4
71.05013	0.5
73.02969	0.9
81.03476	2.7
86.57078	0.4
87.04519	2.1
92.12394	1.2
99.04508	35.5
101.02435	18.8
101.03069	0.7
111.08184	1.8
125.02485	0.6
127.11275	0.6
155.14433	0.5
165.08507	0.4
197.15544	2.5
213.18591	3.4
253.21692	0.9
279.23434	2.9
297.24280	0.8
357.26511	13.5
501.30710	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36779	0.8
55.99712	0.8
57.03455	100.0
59.01384	23.9
60.47468	0.8
61.98823	1.6
81.03454	7.3
88.45443	1.0
99.04510	65.2
101.02428	17.8
105.61587	1.0
116.92829	1.5
125.02406	1.1
127.48907	1.0
145.43306	1.0
161.04585	1.2
197.15407	1.2
243.03465	1.1
297.24100	1.2
308.49261	1.2
329.63885	1.1
357.26416	1.8
501.30936	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	501.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35116	0.5
52.64043	0.4
56.83871	0.4
57.03451	100.0
58.39831	0.6
59.01379	30.4
62.93373	0.5
71.04997	0.5
73.02914	1.4
81.03446	3.5
83.01379	1.2
87.04488	1.1
99.04499	44.4
101.02421	18.5
110.67603	0.5
117.45611	0.6
119.22747	0.6
125.02415	1.2
140.44223	0.5
146.28098	0.6
161.04575	1.2
179.72421	0.5
197.15381	0.7
211.16997	1.3
213.18561	4.8
241.02496	0.5
279.23355	3.9
339.25604	1.0
357.26447	14.8
501.30704	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	501.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89066	0.2
59.71651	0.2
71.25210	0.2
79.26925	0.2
91.26224	0.2
99.04496	0.2
106.95144	0.2
107.05016	0.3
133.06529	0.3
133.42499	0.2
147.08253	0.2
149.09721	27.1
150.10088	0.7
160.59688	0.2
163.11285	100.0
164.11607	2.2
187.68878	0.2
240.76625	0.2
241.35056	0.2
280.14594	0.4
321.18863	0.2
325.21753	25.9
326.22043	1.1
337.21759	11.1
338.22296	0.3
398.70587	0.2
501.33817	64.0
502.34116	3.7
504.53983	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
59.01107	0.6
59.01384	12.3
61.98827	0.8
71.01373	5.5
85.02946	1.8
87.62077	0.3
89.02465	2.8
94.99289	0.4
96.96016	0.4
99.04474	0.4
99.92572	2.0
101.02441	2.3
113.02438	1.0
114.93374	0.9
116.92848	29.0
128.70854	0.4
130.08722	100.0
144.40033	0.4
159.54420	0.4
322.20206	0.7
355.62567	0.5
414.74863	0.4
423.28970	0.4
428.64972	0.4
502.26624	60.8
503.27182	2.7
524.25458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
68.42447	0.2
78.95898	15.2
87.00852	0.4
88.04045	0.2
92.12317	0.2
94.75755	0.2
111.47981	0.2
129.29591	0.2
149.93753	0.2
152.99591	2.4
168.04301	3.4
173.25395	0.2
209.19106	0.3
224.04782	0.3
224.06963	7.6
224.09084	0.4
227.20187	100.0
228.20531	1.1
242.07971	1.1
452.27884	45.6
453.28448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23964	0.7
52.92010	0.6
55.62509	0.6
61.98837	1.5
78.95901	36.2
88.03999	0.7
116.92880	1.3
121.62213	0.8
125.09857	0.8
152.99611	4.9
168.04321	5.8
196.89610	2.9
224.06898	10.0
242.08090	1.5
246.04776	0.8
277.21729	100.0
502.29471	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	503.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85616	0.2
55.01875	0.2
59.01377	1.4
59.98180	0.2
60.10010	0.2
61.98824	0.4
65.68066	0.2
66.68645	0.2
73.02587	0.2
73.02940	1.9
74.40246	0.2
76.22528	0.2
81.74135	0.2
92.11706	0.4
96.95971	0.4
99.00887	0.6
99.91937	0.4
99.92580	9.5
105.43625	0.2
108.40391	0.2
111.31014	0.2
116.07205	0.3
116.92850	100.0
117.01939	2.9
117.92868	1.5
121.02943	0.3
127.09375	0.2
159.92200	0.2
225.18637	0.4
228.56824	0.4
238.65460	0.2
246.18785	0.2
257.23120	0.2
289.59769	0.2
342.59109	0.2
382.81403	0.2
392.79785	0.2
409.23105	0.3
450.26465	0.3
525.84998	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.2
59.01389	2.5
68.27887	0.2
71.01369	1.6
73.02946	2.7
74.46426	0.3
75.00888	0.3
85.02967	0.5
87.00829	0.2
89.02432	0.6
96.96019	0.4
99.00877	1.0
99.92575	8.4
101.02419	0.9
113.02437	0.3
116.07201	0.3
116.92855	100.0
116.97253	2.0
117.01929	3.7
117.92870	1.7
161.04526	0.3
179.05490	0.2
191.46097	0.2
234.49962	0.2
246.02538	0.2
246.98868	0.3
409.96909	0.2
503.18152	1.0
521.43817	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45204	0.7
55.21238	0.6
57.03454	33.2
59.01389	10.2
60.71543	0.6
61.98814	0.7
70.81583	0.7
71.01375	1.8
73.02937	0.7
78.41930	0.7
80.22579	0.7
89.02447	0.8
95.01350	1.5
96.95991	1.2
99.04510	11.6
101.02430	7.6
113.02409	0.8
121.16174	0.9
123.00864	27.0
125.02460	9.0
137.02444	0.9
138.03224	31.6
153.05582	12.7
161.04512	0.8
166.99850	28.3
181.01378	0.9
182.02211	80.1
197.04565	100.0
264.49323	0.8
305.08694	3.2
344.57196	0.9
359.09888	11.5
401.10999	9.5
431.09988	1.2
441.14108	1.8
503.13553	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1615
Annotation	Raffinose
Peak:m/z	Relative Intensity
55.01879	3.1
59.01114	4.0
59.01388	100.0
62.19266	2.7
65.00850	2.7
71.01379	84.4
71.17509	2.8
71.39365	2.9
73.02929	3.4
85.02946	22.4
87.00871	18.0
89.02443	87.6
95.01379	5.3
101.02435	51.1
113.02442	25.0
119.03468	15.8
120.48290	3.6
143.03487	3.8
161.04532	15.1
179.05597	49.2
221.06717	33.8
323.09833	15.2
341.10745	4.8
434.94595	3.4
503.16226	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1619
Annotation	Raffinose
Peak:m/z	Relative Intensity
57.03463	20.4
59.01392	29.8
60.56405	0.6
71.01390	17.3
71.05025	7.5
72.99301	1.0
73.01093	0.6
73.02947	1.0
73.06602	0.7
74.02461	1.2
75.00865	0.7
80.25143	0.6
84.04539	0.9
85.02948	3.7
87.00871	5.5
88.04034	2.8
89.02443	20.2
89.04439	0.6
91.39405	0.5
91.75955	0.5
95.01385	0.8
96.96974	0.7
97.02966	1.4
99.00877	1.1
99.03870	1.4
99.04514	34.4
101.02440	20.3
113.02450	6.2
115.04044	2.8
116.03505	0.9
117.05575	9.1
119.03525	3.0
123.73925	0.6
128.03505	1.0
131.03459	1.1
140.55791	0.6
143.03510	14.4
159.03006	1.1
160.06149	7.5
161.04561	100.0
179.05615	8.2
221.06679	6.3
279.10938	0.6
323.09851	2.9
323.13324	0.9
341.10928	1.5
472.34671	0.6
503.16159	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	503.3172
Annotation	Eudesobovatol B
Peak:m/z	Relative Intensity
52.73427	0.4
54.05364	0.4
59.01151	0.6
59.01390	10.8
61.02965	0.5
61.64240	0.4
61.98837	3.7
62.26337	0.4
62.57865	0.4
63.35714	0.4
64.22068	0.5
90.99509	0.4
107.05019	25.7
123.97046	0.5
140.98076	0.5
147.08206	0.9
163.11278	100.0
164.11572	0.9
172.99591	0.5
225.09320	0.5
258.79919	0.5
265.15836	0.8
279.26956	3.4
281.15411	1.0
283.17032	21.3
295.17047	9.9
323.25934	2.7
350.08289	0.5
367.23572	0.5
441.27988	58.1
442.28528	1.0
459.29074	22.4
473.43658	0.6
503.31686	60.0
504.31696	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	503.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80204	0.7
54.42535	0.7
57.03453	100.0
59.01112	1.1
59.01383	29.0
71.01382	0.9
73.02928	1.3
81.03429	2.1
83.01395	1.2
83.04991	1.0
97.06535	1.3
99.04508	41.3
101.02425	19.2
111.00858	1.5
125.02380	1.2
135.03244	0.8
135.22153	1.0
137.09799	0.9
154.43434	0.9
168.71252	0.8
173.40013	0.9
185.15388	1.3
194.93834	1.0
230.46448	0.9
267.73367	0.9
279.15436	1.0
299.25610	1.4
315.25241	1.4
359.28018	15.0
468.16891	1.0
503.32346	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
59.01382	32.9
71.01379	4.6
73.02933	3.4
81.03467	1.6
85.02950	3.8
99.04503	41.0
101.02432	18.4
113.02377	0.8
128.28001	0.8
137.09671	1.5
143.03476	1.0
149.52745	0.8
185.15448	1.3
197.36511	0.8
213.18488	1.2
285.54385	0.8
299.25894	3.8
359.28033	20.9
410.84525	0.8
503.32233	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62528	0.5
55.53645	0.7
57.03464	100.0
59.01114	1.2
59.01392	24.2
59.35716	0.6
61.38702	0.7
61.86754	0.6
64.46714	0.7
71.01421	0.6
73.02958	0.8
75.64556	0.6
77.30331	0.6
80.19706	0.6
81.03448	4.3
82.02668	0.6
83.01382	0.7
88.98814	1.2
97.06579	0.8
99.03872	1.3
99.04512	41.5
99.08138	0.7
101.01852	1.0
101.02438	17.2
102.16074	0.8
120.51561	0.7
123.95522	0.6
173.77808	0.7
200.76913	0.6
315.25470	1.1
359.28024	15.2
395.37515	0.8
503.32330	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	503.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.2
61.98819	0.6
101.02431	2.1
111.07199	0.5
163.06116	2.2
279.23297	100.0
280.23502	1.1
339.20099	0.6
395.84442	0.6
443.82254	0.6
521.36072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	0.3
59.01385	6.0
59.01681	0.2
71.01380	4.7
72.99306	3.1
73.02937	1.0
77.03587	0.2
83.01385	0.2
85.02937	0.9
87.00872	0.4
89.02436	4.5
101.02428	2.6
107.03787	0.4
108.04546	2.8
111.60366	0.1
113.02440	1.6
118.02977	2.2
119.03478	1.3
124.04026	0.8
125.02359	0.2
131.03532	0.2
134.02472	100.0
135.02795	0.3
161.04568	0.7
162.01958	13.5
179.05595	1.5
180.02971	0.8
185.12650	0.2
199.93085	0.2
221.06702	0.9
244.52657	0.2
504.13550	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	504.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.3
61.98843	0.8
62.41429	0.9
63.63104	0.8
68.15498	0.9
74.33997	0.8
74.42468	0.8
76.56978	0.7
77.42892	0.8
78.95905	7.0
80.63699	0.7
82.41958	0.9
92.12394	4.8
115.98892	1.0
116.99477	0.9
140.10948	0.8
152.99562	1.2
168.04347	1.2
224.07338	1.0
243.85623	0.9
259.67877	1.0
279.23294	100.0
462.66574	0.8
504.31714	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	504.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33770	0.1
59.01361	0.3
61.98827	2.2
66.92476	0.2
78.95897	7.2
91.91637	0.2
121.55614	0.2
152.99568	1.1
168.04291	1.5
224.06943	1.2
242.07951	2.3
261.22266	0.7
279.23294	100.0
280.23615	0.8
340.72852	0.2
487.52890	0.2
504.31155	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	504.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94402	0.2
55.79137	0.2
59.01372	0.3
77.19489	0.2
78.95898	27.2
79.16463	0.2
96.96936	0.4
100.02348	0.2
116.92785	0.2
120.02383	0.2
134.98515	0.3
139.86768	0.2
145.09624	0.2
152.99583	3.4
168.04289	3.6
203.66794	0.2
224.06932	7.7
228.64859	0.2
231.82631	0.2
242.07925	2.3
258.42535	0.2
261.22098	0.7
279.23297	100.0
280.23483	0.8
295.40131	0.2
295.71655	0.2
504.31027	30.2
505.31345	0.2
517.23041	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3101
Annotation	LysoPE(0:0/20:2(11Z,14Z))
Peak:m/z	Relative Intensity
51.31725	0.6
51.68048	0.6
54.82906	0.9
59.01374	1.7
61.98838	10.8
65.65641	0.7
78.95900	24.9
89.02538	1.0
104.77470	0.8
106.41621	0.7
116.92860	1.6
140.01167	5.7
152.99506	0.9
187.78238	0.9
196.03836	9.0
214.04988	1.3
255.23340	7.1
279.23416	1.5
280.23633	3.2
307.26465	100.0
308.26694	1.4
338.19223	1.1
402.15329	0.9
423.25281	4.0
504.30994	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56652	0.9
55.01872	1.4
55.48610	0.7
57.03445	1.9
58.00586	1.9
59.01385	100.0
61.98824	1.4
64.09777	0.9
69.03454	0.9
71.01380	82.1
72.99303	4.2
73.02944	17.1
82.95426	1.3
83.01389	7.3
85.02951	23.6
87.00874	7.7
89.02438	85.5
92.12371	1.6
95.01388	5.3
96.96005	1.0
97.02955	2.0
99.00889	5.5
99.08142	2.3
101.02436	58.1
108.93746	4.0
113.02446	31.2
115.00382	1.8
116.92867	13.5
117.92871	4.0
118.92694	4.6
119.02660	1.6
119.03492	37.4
121.02962	7.8
125.02444	4.7
128.03574	0.9
131.03529	8.4
133.01398	7.2
135.11852	0.9
136.93172	1.0
138.47635	1.0
139.04054	0.9
143.03508	6.7
145.08696	6.1
149.04581	2.3
161.04536	20.8
179.05605	59.9
221.06660	19.7
254.11218	1.4
289.71503	0.9
322.98654	3.7
363.13306	1.0
445.17239	39.3
469.19208	12.2
472.14365	1.0
478.05426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40752	0.2
50.96329	0.2
53.67227	0.2
53.78331	0.2
54.17376	0.2
56.36972	0.2
59.01394	2.1
61.98832	0.4
64.99120	0.2
73.02931	1.3
75.00848	0.4
78.58656	0.3
99.00889	0.6
99.92568	10.5
104.02952	0.2
116.07155	0.3
116.92844	100.0
116.97228	1.8
117.01931	1.3
117.92798	0.4
227.86679	0.3
242.41527	0.3
269.88065	0.3
271.56995	0.3
355.96979	0.3
392.98212	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.2
59.01385	1.3
66.09881	0.1
71.74442	0.1
73.02946	4.1
75.00856	0.7
92.66074	0.2
99.00864	2.8
99.92577	11.3
116.07165	0.9
116.92854	100.0
116.97228	4.4
117.01933	5.6
117.05563	0.6
117.92842	0.3
277.26685	0.2
433.30075	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2577
Annotation	Amoritin
Peak:m/z	Relative Intensity
55.22946	0.4
58.71174	0.4
59.01380	0.5
60.24254	0.3
62.41664	0.3
76.68110	0.4
78.95898	31.9
92.65556	0.4
96.96946	2.6
104.07933	0.4
121.02934	8.8
124.18842	0.4
150.98055	0.5
152.99580	41.8
171.00670	1.9
173.56558	0.4
187.06866	0.4
225.05508	0.5
227.03328	3.7
245.04228	0.5
275.20340	0.4
277.21722	100.0
278.21936	1.5
363.36636	0.5
413.20944	1.7
505.25784	68.3
506.26175	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	505.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04071	0.3
53.27842	0.4
55.01887	0.6
55.02155	0.3
57.03448	2.3
59.01395	14.7
60.26264	0.4
61.98824	2.3
63.13447	0.5
67.01891	0.9
68.99839	0.6
69.03476	0.5
71.01384	11.0
72.99311	3.8
73.02953	0.8
75.00878	13.4
76.57643	0.5
78.95903	3.2
85.02464	0.6
85.02950	13.3
87.00880	5.7
88.45088	0.4
89.02441	2.6
95.01355	3.5
99.00881	7.0
103.00333	0.8
110.98508	3.4
113.01711	0.8
113.02444	12.9
115.00330	0.5
117.01933	2.0
129.01904	0.9
167.01152	1.1
175.02536	0.9
175.03986	0.5
247.34496	0.5
249.06183	8.6
255.23300	100.0
256.23666	2.9
267.07211	0.9
322.93567	0.5
423.25220	8.8
487.29459	1.6
505.30243	62.6
506.30518	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	506.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82575	1.4
55.32813	1.4
56.46902	1.3
59.01105	2.5
59.01382	46.4
65.58742	1.5
71.01379	36.5
72.00909	14.6
72.99316	2.1
73.02949	2.8
78.95903	6.7
82.50778	1.6
83.26885	2.1
85.02936	7.5
87.00869	2.1
87.85512	1.8
89.02439	36.9
95.01387	2.3
101.02423	18.1
103.92029	4.1
113.02426	12.0
115.00343	7.2
115.89182	1.8
119.03484	11.7
131.03531	2.3
133.01376	10.5
138.92186	1.6
147.04512	63.0
161.04550	9.3
164.07169	100.0
164.08565	3.2
179.05640	15.4
221.06757	2.5
225.63670	1.7
230.89354	1.9
250.25284	1.7
311.70804	1.7
341.10922	74.3
410.67007	1.6
467.64618	2.3
469.84549	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	506.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65066	0.3
59.01369	1.5
59.10226	0.3
61.98835	26.2
63.27893	0.3
76.58508	0.3
78.95899	21.3
80.22259	0.3
88.83659	0.2
96.96897	0.3
99.00906	0.5
110.98547	0.4
113.00877	0.3
120.11241	0.3
152.99603	2.7
168.04309	3.0
215.86920	0.3
224.06973	7.8
230.84389	0.3
242.07994	1.5
255.23245	3.0
256.23602	3.5
279.23181	0.4
281.24866	100.0
423.25381	0.3
424.25543	0.6
499.12222	0.4
506.32544	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3255
Annotation	Gymnodimine
Peak:m/z	Relative Intensity
53.77028	0.6
57.59095	0.6
59.01379	1.2
61.98839	1.7
73.66109	0.7
78.95905	25.1
79.00368	0.7
108.97907	1.3
116.92847	3.1
140.01212	6.1
152.99603	1.5
177.97185	0.8
196.03746	8.5
214.04837	1.4
242.73706	0.8
281.24899	1.3
309.28000	100.0
337.21619	1.2
396.05249	1.0
506.32513	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	507.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63880	2.6
55.01894	2.6
57.03453	3.0
59.01385	100.0
64.15563	2.1
65.16933	2.0
69.03471	3.1
71.01379	77.7
72.99296	3.3
73.02946	12.4
74.99103	2.9
83.01383	9.0
85.02937	15.9
85.76174	2.1
86.60537	2.2
87.00892	3.8
89.02436	68.3
92.75076	2.5
92.75883	1.9
95.01376	3.7
97.02930	9.9
99.00893	3.3
101.02434	44.7
102.98598	9.3
108.02172	31.6
113.02430	28.3
118.42140	2.2
119.03501	23.5
121.02926	4.9
122.02473	3.4
123.04536	3.8
125.02438	27.3
131.03473	8.1
131.07111	4.6
138.05594	2.6
138.06839	3.0
143.03503	4.4
161.04568	11.2
164.70845	2.6
179.05573	20.7
191.02068	2.7
221.06720	16.6
253.10930	4.7
263.07791	5.4
286.11221	2.5
293.12439	12.5
308.57556	2.3
314.07584	2.3
322.26019	2.8
323.09830	57.4
335.75394	2.4
340.23914	2.4
505.78726	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	507.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88723	0.2
55.25940	0.2
57.35455	0.2
75.07232	0.3
78.95906	12.5
92.37523	0.4
96.96952	1.2
101.67232	0.2
102.96015	0.3
106.08391	0.3
125.43832	0.3
128.82961	0.3
129.71556	0.4
150.98064	0.4
152.99582	19.2
171.00629	1.6
212.68263	0.3
214.50333	0.3
227.03168	2.5
245.04306	1.3
261.22028	0.3
279.23291	100.0
280.23560	0.5
415.22632	0.4
507.27310	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	507.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19078	0.3
71.21190	0.4
78.95896	20.3
83.73009	0.3
96.96928	1.9
145.84077	0.4
150.97954	0.4
152.48352	0.3
152.99576	30.8
171.00642	2.0
195.06805	0.4
227.03214	2.1
245.04317	1.4
273.35382	0.4
279.23279	100.0
280.23602	1.6
415.22748	0.6
479.88202	0.4
507.27283	52.5
508.27582	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	508.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.7
71.01394	24.9
89.02444	23.2
92.11763	3.8
92.99017	3.7
101.02454	15.5
113.02433	6.9
118.75824	3.7
122.02441	7.9
123.66311	4.0
125.02428	3.8
128.49568	3.2
134.13907	4.0
144.04536	5.6
146.02502	15.3
147.03297	17.8
148.04037	6.6
160.04073	39.9
172.04053	3.8
173.44655	3.7
186.05650	3.7
202.05128	4.1
261.70627	3.9
310.84897	3.5
472.14615	100.0
502.40118	4.6
511.37418	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	508.3414
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
54.00922	0.9
55.01867	1.8
57.03441	3.2
59.01389	2.7
61.98833	9.3
65.20627	1.1
78.83261	1.3
78.95879	1.3
83.01388	29.6
92.12334	2.8
102.45356	1.4
152.99500	1.3
154.43977	1.4
157.05075	12.6
176.24992	1.2
255.23312	100.0
281.24805	6.7
282.25204	5.4
301.62738	1.6
354.63806	1.6
413.29102	45.2
449.26758	2.8
458.34848	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	511.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
56.78758	0.5
57.03446	4.7
57.03665	0.5
59.01384	69.1
61.21133	0.5
61.98822	1.1
67.01840	0.6
68.89272	0.6
68.99802	1.2
69.03431	1.1
71.01376	18.2
72.99300	6.3
73.02931	2.7
74.61662	0.5
75.00863	14.1
77.72641	0.5
81.03434	0.8
81.97646	0.6
83.01377	1.2
85.02464	0.9
85.02943	18.6
87.00855	9.0
89.02440	7.6
91.03959	0.6
93.03426	0.9
95.01331	4.4
96.95993	1.0
99.00873	8.7
101.02411	1.1
103.00360	2.4
103.73418	0.6
113.02435	23.2
115.00346	2.3
117.01919	3.2
120.78681	0.6
129.01913	2.9
129.09180	1.1
157.01360	1.0
159.06679	0.8
175.02501	0.7
189.04153	0.7
199.90228	0.6
201.14977	3.6
205.07149	0.8
231.05042	0.9
244.71068	0.7
249.03691	1.3
249.06155	28.4
261.17038	3.5
267.07257	9.0
287.94785	0.8
309.08331	12.9
447.70920	0.7
493.23096	2.4
511.24005	100.0
512.24530	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03445	4.6
59.01387	64.1
62.48637	0.9
66.86039	0.8
68.99822	1.4
71.01389	17.8
71.05022	1.8
72.99303	4.4
73.02934	2.3
75.00874	16.0
85.02966	17.5
87.00864	7.7
89.02442	4.0
95.01392	6.0
95.60031	0.9
96.96043	1.0
99.00879	8.2
101.02404	1.0
103.00352	2.0
113.02462	21.2
115.00343	0.9
129.01959	2.2
129.09145	1.1
193.13042	0.9
201.14899	2.0
209.12199	1.0
231.04836	1.4
249.06183	26.4
253.10739	0.9
261.17081	5.2
267.07144	8.5
309.08267	12.9
361.97775	1.1
410.85184	1.2
436.62943	1.0
480.21057	1.1
493.22989	2.3
511.23987	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	511.3044
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
62.96391	0.2
78.95896	20.0
80.98395	0.3
96.96944	1.9
116.92858	0.3
124.98531	0.3
140.16313	0.3
150.98079	0.3
152.99577	33.1
171.00620	1.8
227.03212	2.4
245.04317	1.0
262.75644	0.3
283.26431	100.0
284.26697	2.0
419.25534	0.4
476.46204	0.3
511.30420	54.1
512.31073	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22921	0.1
58.02977	0.2
59.01387	51.6
76.37920	0.1
81.03453	4.2
82.06636	0.2
83.05029	15.0
92.12501	0.1
100.07703	0.2
107.06161	0.6
108.04561	0.8
125.07187	2.0
126.05617	0.2
130.64075	0.1
137.39644	0.1
139.32971	0.1
143.08290	0.8
207.14987	1.9
208.13525	0.1
224.17709	3.2
225.16090	10.0
237.80972	0.1
242.18732	1.1
243.23399	0.1
250.15579	0.2
267.03329	0.1
268.16605	0.2
308.23578	0.1
309.21872	0.5
324.26547	1.3
333.23001	2.7
339.27872	0.2
351.24063	1.3
367.27109	1.3
385.28302	0.2
433.31851	8.1
451.32916	100.0
452.33475	1.0
511.35150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78435	0.8
55.01873	1.3
57.03442	4.1
59.01108	1.2
59.01384	22.6
59.24245	0.7
71.01385	24.2
72.99294	5.5
73.02920	1.3
75.00868	10.6
83.01376	1.5
85.02946	21.2
87.00874	7.4
89.02427	9.8
89.31594	1.0
95.01367	5.8
99.00857	8.1
101.02422	6.0
101.06070	79.2
103.00384	1.2
113.02451	20.2
114.38876	0.8
117.01880	1.2
119.03480	1.4
131.07106	4.2
154.26651	1.0
161.04671	1.1
269.69360	0.8
293.12555	1.1
351.87512	1.0
379.00357	1.0
418.23102	0.9
513.18256	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	513.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83074	0.9
55.50654	0.7
57.03444	3.2
59.01390	67.2
61.98833	1.2
71.01383	21.7
72.48700	0.9
73.02948	19.0
75.00845	0.9
83.01365	5.1
83.05018	1.3
85.02940	6.1
87.00853	2.0
89.02442	11.5
95.01385	1.3
96.96009	1.2
99.00845	0.8
101.02440	17.3
111.04514	3.5
113.02441	7.2
116.92838	4.1
118.92683	1.0
119.03464	3.9
120.50061	0.8
137.09656	1.6
161.04558	1.4
165.09344	0.8
185.13358	0.9
187.11255	1.5
187.27461	1.0
197.80276	0.8
203.14412	12.0
214.61794	0.9
246.97314	0.9
261.86331	0.8
272.48315	1.0
274.43063	0.9
338.43137	0.8
383.20746	1.1
408.22815	1.0
418.44153	0.9
427.19812	4.7
469.20798	100.0
470.20938	1.3
513.20300	1.5
513.27435	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49913	0.4
59.01385	4.3
59.92501	0.4
61.98822	0.6
78.95898	19.2
92.11772	1.0
96.96975	0.6
97.52071	0.5
126.69501	0.6
152.99557	3.9
168.04308	2.7
221.19128	1.0
224.06921	7.5
239.20175	100.0
240.20572	2.2
242.07878	1.8
256.32883	0.6
352.34854	0.6
464.27859	59.3
465.27957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.98833	100.0
77.77293	0.1
83.05040	0.1
84.05396	0.2
92.12400	0.2
158.28288	0.1
190.82980	0.1
402.87531	0.1
452.33441	0.4
453.33429	1.3
454.33643	0.7
514.32831	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48172	0.2
54.82811	0.2
55.01864	0.3
59.01110	0.4
59.01384	6.9
62.76982	0.2
69.96217	0.2
71.01380	3.3
73.02941	1.0
75.00852	0.3
83.01368	0.4
85.02935	1.0
89.02432	2.9
91.06904	0.2
101.02434	4.1
113.02427	1.3
114.39185	0.3
119.03487	0.6
125.09715	0.3
128.71254	0.2
143.03522	0.4
161.04546	1.8
235.08189	0.6
240.50745	0.3
253.09315	9.0
271.91052	0.3
275.12561	0.3
279.23306	100.0
280.23682	1.0
410.45337	0.3
432.05511	0.3
521.84430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
58.00587	0.2
59.01115	0.3
59.01384	5.7
61.17930	0.2
68.65118	0.2
71.01376	3.3
73.02921	1.0
83.01374	0.3
85.02940	1.1
89.02441	3.3
92.12402	0.7
95.01357	0.2
99.00868	0.2
101.02422	4.1
110.79423	0.1
113.02421	1.6
119.03456	0.9
133.05043	0.2
134.11554	0.2
161.04564	1.3
167.43799	0.2
169.61111	0.2
179.05629	0.2
193.75522	0.2
205.16978	0.2
235.08215	0.8
247.08444	0.2
253.09303	9.4
261.22223	0.3
279.23294	100.0
280.23639	2.4
309.61124	0.2
344.94339	0.2
371.17282	0.2
447.85074	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84250	0.1
72.84566	0.1
76.11996	0.1
79.82385	0.1
103.40172	0.1
106.04245	1.4
107.05025	0.9
108.02116	0.1
119.04991	0.2
120.05749	0.1
121.02923	0.3
151.07646	0.3
161.09657	0.3
163.11281	41.8
175.11276	2.1
176.12025	1.2
177.09282	0.3
177.12842	4.6
190.09982	1.3
194.09494	0.3
201.12920	0.2
201.21277	0.1
207.10262	0.6
208.11061	5.1
265.16043	0.2
267.13849	0.3
279.14084	0.1
281.15457	2.0
282.16260	5.4
282.19400	0.2
283.17026	6.8
293.15417	1.9
294.16202	0.5
295.17062	0.5
297.15042	0.2
321.18622	0.2
324.21136	0.2
326.15326	0.1
333.22388	0.2
335.20288	0.2
336.20868	0.2
339.23297	100.0
340.23608	0.8
349.21735	0.3
351.23312	6.7
366.35242	0.1
417.19562	0.1
443.47546	0.1
463.22180	0.1
515.35321	53.0
516.35919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1566
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
59.01387	15.0
59.42005	0.5
61.98830	2.9
71.01385	9.9
73.02949	0.8
85.02940	0.8
85.06573	1.3
89.02441	13.1
92.65734	0.6
95.01383	0.8
96.96001	1.0
101.02448	6.0
112.98632	0.6
113.02435	4.3
119.03493	3.6
121.02917	1.3
131.07138	5.7
132.02176	17.5
132.07486	2.6
134.03738	11.9
134.04733	9.7
138.97060	1.1
149.06036	2.2
160.01659	86.6
161.01979	0.8
165.01881	0.6
175.04001	100.0
178.02711	1.2
179.05606	2.3
193.05067	14.9
337.09387	2.8
337.15265	0.6
341.11029	3.3
458.13443	1.3
484.50949	0.8
514.59235	0.7
517.15692	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	517.1564
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
59.01106	0.9
59.01385	19.5
59.04058	0.6
67.09560	0.6
67.20750	0.7
71.01385	11.5
79.27697	0.6
82.04375	0.6
84.52177	0.6
85.02950	1.6
87.00894	1.1
89.02442	11.0
96.96001	1.3
99.92562	0.8
101.02401	5.9
113.02435	3.5
114.42094	0.7
116.92853	8.6
119.03472	4.5
122.02502	0.7
128.83051	0.9
132.02161	19.6
133.02951	0.7
134.03746	12.6
138.05583	1.3
138.97057	0.8
139.00507	0.8
149.04486	0.7
149.06044	1.2
160.01654	80.2
175.03998	100.0
178.02832	1.0
179.05623	2.8
187.03720	1.1
193.05061	17.1
194.04594	2.7
241.66893	0.7
244.84723	0.8
326.76123	0.7
337.09253	2.8
341.10947	5.0
517.15778	19.2
523.25189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	9.9
61.98820	1.7
70.59830	1.2
71.01376	6.5
71.50440	1.2
77.92639	1.3
85.02928	2.4
89.02406	5.7
92.66290	1.3
101.02444	6.7
103.92002	1.5
113.02438	2.8
116.92892	1.8
118.02557	1.2
119.03481	1.7
121.02888	1.4
122.02477	55.7
122.03375	2.3
123.03243	15.3
132.02127	1.4
133.01706	12.9
133.47142	1.3
134.03743	2.2
138.05598	94.3
148.04063	14.8
149.01241	2.0
150.01965	3.3
160.01692	9.1
161.02002	3.1
166.05086	29.1
175.04022	9.3
176.04391	1.3
179.00851	1.4
179.02211	10.6
190.96495	1.3
193.05040	6.0
194.04585	100.0
413.52448	1.4
518.15265	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90627	0.2
55.48016	0.2
59.01386	0.8
61.98837	0.8
62.00111	0.2
76.89359	0.2
78.95906	73.5
84.11351	0.2
88.96523	0.2
89.75012	0.2
96.96959	5.5
97.26550	0.2
123.91930	0.2
150.98019	2.3
151.30695	0.2
152.99582	100.0
171.00636	2.2
190.72066	0.2
209.95033	0.2
217.14001	0.2
252.08208	0.2
277.21811	2.3
283.49069	0.2
413.20544	0.3
431.22052	32.8
432.22070	0.4
518.25287	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	519.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82511	22.8
55.75831	20.1
58.79325	22.5
59.01386	100.0
61.98844	47.4
67.29385	21.2
72.67915	20.3
101.40475	27.4
152.99593	30.1
286.57928	24.7
362.84595	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	519.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82701	0.6
55.01883	0.7
57.03447	1.5
57.21026	0.5
59.01383	34.9
59.01682	1.1
59.43768	0.5
61.98830	0.8
71.01376	15.8
72.99292	0.8
73.02952	1.0
83.01380	1.2
85.02935	4.7
85.06593	10.9
87.00880	0.9
88.64542	0.6
89.02440	17.3
91.98434	0.7
92.11689	0.6
101.02439	12.2
113.02444	6.9
113.06103	4.9
115.07617	1.3
119.03502	7.2
127.07642	1.1
131.07126	48.7
152.44814	0.6
161.02478	0.9
162.03247	3.7
167.29942	0.8
173.08200	2.6
179.05655	0.9
180.04300	3.4
195.06660	4.4
293.12439	100.0
361.56464	0.7
535.05969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94894	0.6
57.03455	100.0
58.00588	0.8
59.01386	62.4
61.25102	0.7
65.01359	0.8
71.01379	5.4
79.18141	0.7
83.01394	1.5
85.02932	1.3
86.17196	0.8
87.04540	1.4
99.04520	53.6
101.02433	24.0
101.06096	0.9
113.02464	1.2
113.06061	1.0
125.02426	1.4
131.07091	3.7
137.09665	1.3
143.10709	1.0
155.10719	1.3
161.04482	7.9
187.82442	0.9
200.20578	0.8
259.24957	0.8
271.18964	0.9
273.20648	1.3
279.88898	0.9
333.01544	1.1
357.26712	7.2
375.27585	20.7
519.31750	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16928	0.4
59.01107	0.6
59.01389	15.3
60.74293	0.4
60.88862	0.4
61.50276	0.4
61.98829	2.7
71.01386	9.8
72.28111	0.4
72.99310	47.9
73.02941	2.0
83.01361	0.6
83.37157	0.4
85.02943	2.3
87.00862	0.9
88.25591	0.4
89.02449	11.2
89.66408	0.4
95.01373	1.7
98.31989	0.5
99.63855	0.4
101.02434	9.4
108.02171	1.9
108.16570	0.4
113.02449	4.9
116.92802	0.9
117.92843	0.8
119.03501	4.6
122.02471	100.0
125.02444	1.8
131.36893	0.4
143.03435	0.5
149.04610	0.6
161.04579	1.8
178.33870	0.4
179.05609	7.6
221.06715	2.4
240.08295	0.5
323.13571	0.6
397.10107	1.9
457.17267	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	520.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46314	10.2
53.84404	14.8
54.86094	12.2
59.01381	57.7
61.98809	74.0
71.91080	12.5
85.02972	13.0
89.02446	21.7
89.91435	14.4
96.90831	16.4
115.00446	14.3
116.92837	33.2
122.81367	16.4
130.08719	95.1
190.62144	16.2
237.99898	14.4
484.18185	100.0
520.15778	93.1
520.27521	20.4
522.04279	16.6
545.31982	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63522	0.2
75.44918	0.2
78.95898	70.7
96.96957	7.0
121.11263	0.2
150.98012	2.4
152.99582	100.0
161.93256	0.2
171.00687	2.0
184.44972	0.2
279.23279	2.8
307.46371	0.2
433.23627	37.0
434.23911	0.4
520.26910	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	521.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55823	0.8
59.01384	13.4
66.45786	0.9
71.01379	12.7
72.99318	1.3
73.02921	1.8
83.01381	1.2
85.02907	3.3
87.00867	1.2
89.02442	9.9
90.22470	0.9
91.01799	0.9
101.02424	10.0
106.00611	1.6
113.02449	3.9
119.03485	1.2
121.02953	52.3
123.00863	1.5
125.02452	1.3
126.27172	1.1
133.01434	1.3
136.04001	1.4
138.03224	1.4
139.00351	1.5
153.05571	37.2
153.06699	1.8
161.04570	2.0
179.05614	1.4
181.01489	1.2
182.02216	6.1
196.03729	1.3
197.04567	100.0
201.38264	1.0
214.22093	1.0
239.05647	3.6
528.79071	1.0
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
59.01387	17.5
63.36383	1.0
71.01382	15.0
72.99311	1.1
73.02937	3.6
73.30065	0.9
81.03468	1.0
83.01397	1.2
85.02950	2.2
87.00885	1.9
89.00332	1.2
89.02432	8.6
95.01388	1.5
96.16912	1.0
96.96001	1.0
99.00872	1.2
101.02457	8.9
106.00630	1.8
113.02452	4.3
119.03481	4.6
121.02052	1.8
121.02942	51.1
123.00854	5.0
125.02426	1.7
137.02501	2.0
138.03226	4.8
139.00433	1.1
139.03995	1.5
153.05580	39.4
161.04501	1.9
166.99883	1.3
181.01445	1.2
182.02254	8.5
196.03990	1.2
197.04562	100.0
221.06725	2.2
224.03429	1.1
239.05707	4.5
311.51047	1.0
323.09943	2.0
521.14935	1.6
541.21729	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	521.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.8
57.03439	3.3
59.01118	2.4
59.01385	45.1
61.98821	3.0
69.03449	2.2
71.01376	51.5
72.99309	2.8
73.02928	14.1
83.01403	2.4
85.02924	17.9
87.00846	3.4
89.02431	17.4
95.01377	2.8
99.00831	3.7
101.02430	32.7
113.02466	17.8
116.48089	1.9
116.92891	2.8
119.03487	4.3
121.02890	2.3
122.03707	9.8
123.04502	4.2
130.07037	2.2
133.01384	3.8
137.02502	3.2
137.86348	2.3
143.03467	2.1
153.01909	2.7
156.99678	2.4
161.04567	10.7
179.05609	3.4
182.05824	21.5
197.08208	41.8
359.13651	20.4
409.72141	2.3
521.18842	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	521.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82661	1.3
55.01866	2.6
57.03443	2.6
58.00589	1.2
59.01382	44.4
63.39449	0.9
64.34512	0.8
69.03446	1.6
71.00985	1.5
71.01378	43.0
72.99311	1.8
73.02935	11.4
75.00882	1.3
83.01362	6.9
85.02950	21.8
85.06577	1.6
87.00861	4.6
89.02435	21.5
94.03020	1.1
95.01386	2.4
97.02938	2.2
99.00867	5.9
101.02430	36.6
105.06426	1.0
111.00923	1.5
113.02434	17.2
119.03506	9.7
121.02945	4.5
122.03719	8.2
123.04504	6.7
125.02416	2.4
131.03522	1.4
131.07114	5.5
137.02448	1.2
138.05493	1.1
148.10173	1.0
153.02003	1.7
153.05534	1.6
161.04582	7.7
179.05611	2.2
179.07124	4.2
182.05856	19.0
197.04591	8.0
197.08191	43.8
197.09955	2.0
221.06590	1.3
293.12579	9.3
293.15472	1.1
294.12820	8.0
295.12662	3.5
359.13559	26.5
367.73285	1.3
417.49341	1.2
442.11087	1.2
491.72076	1.1
521.18860	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	521.289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24317	36.6
59.01383	67.5
61.98821	78.5
75.63777	54.8
78.95934	47.4
80.86900	46.1
84.00862	47.9
92.12415	100.0
96.95994	83.1
116.92830	90.9
119.27877	48.1
120.02125	42.5
125.16028	47.1
182.87947	45.7
185.94279	46.9
201.77676	44.9
255.23245	94.9
297.23401	52.8
517.63446	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70190	2.0
57.03454	100.0
59.01387	71.0
68.12963	2.1
71.05017	2.8
73.02946	12.0
74.94036	1.8
85.02950	11.6
87.04485	2.8
96.96021	3.0
99.04511	65.1
101.02446	14.2
116.92876	4.6
125.02427	18.5
136.72118	2.8
136.94820	2.1
137.09714	3.1
161.04582	11.6
180.51753	2.2
185.15491	5.2
213.18533	4.1
237.86047	2.7
315.25363	9.6
359.27985	18.3
377.29080	68.6
459.33051	3.0
521.33496	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78697	0.9
55.01879	4.5
57.03450	17.9
58.00581	0.9
58.03798	0.8
59.01382	37.5
61.08360	0.6
69.03450	1.0
71.01377	40.2
72.99314	0.9
73.02939	15.2
77.21358	0.7
83.01377	8.9
85.02946	21.6
86.00102	1.0
87.00853	2.0
87.04500	0.9
89.02435	10.2
95.01359	4.9
99.00854	5.4
99.04501	7.0
101.02432	26.2
111.00872	1.5
113.02431	13.8
119.03477	2.0
137.09676	1.1
143.03500	1.0
161.04553	7.7
210.67053	0.9
299.25864	1.5
359.28006	5.3
377.28986	3.2
411.06448	0.8
433.27402	1.1
521.33313	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	521.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.9
61.66903	0.3
61.98823	1.6
92.12363	0.9
196.10910	0.4
197.28923	0.4
241.21736	56.8
279.23291	100.0
280.23355	0.4
296.87927	0.4
299.64270	0.5
309.01804	0.5
391.86923	0.4
442.26303	0.4
493.25729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82517	0.8
59.01377	1.2
61.64568	0.7
61.84151	0.7
61.98840	59.0
63.43537	0.8
67.96960	0.7
105.81124	0.8
133.02956	23.5
134.03734	1.4
135.04523	8.2
137.02428	3.3
146.71776	1.1
161.02437	100.0
162.02855	1.1
167.75659	0.8
170.55376	0.8
179.03387	1.0
183.16707	1.0
297.24390	13.3
338.63135	0.8
373.27472	1.0
441.26160	1.4
459.27515	57.6
460.28220	1.5
522.36060	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	522.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79726	0.3
59.01378	0.4
59.79459	0.3
61.98838	2.9
73.61397	0.3
78.95905	68.5
79.42640	0.3
96.96951	5.5
114.39539	0.3
132.45929	0.3
150.98024	2.1
152.99580	100.0
153.99936	0.4
171.00597	2.2
196.27597	0.3
270.82968	0.3
281.24844	2.9
435.25156	32.4
436.25299	0.5
522.28424	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	523.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
58.00592	2.0
59.01384	100.0
62.05814	0.8
69.03466	6.4
71.01376	76.9
72.99302	1.6
73.02939	12.6
81.03448	3.7
83.01370	8.5
85.02943	22.6
87.00890	7.1
89.02436	62.0
95.01373	5.9
97.02939	9.9
99.00855	5.4
99.92570	1.1
101.02431	46.5
104.79604	1.0
111.00881	1.6
113.02436	27.3
116.92870	6.6
118.27893	1.0
119.03487	26.6
123.00888	10.6
124.01640	26.7
125.02430	26.6
131.03485	6.7
134.04668	1.0
138.03221	4.1
139.03984	11.9
143.03600	6.3
148.72299	0.9
149.04507	1.4
151.04190	0.9
161.04567	9.9
179.05605	13.5
221.06693	13.6
245.06653	1.2
263.07758	6.2
301.09402	0.9
323.09863	55.3
352.89478	1.0
463.14594	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11125	3.5
52.98856	3.6
55.71375	3.4
57.03443	5.0
59.01365	23.8
61.98810	4.3
64.77958	3.3
71.63748	3.3
78.95898	49.5
100.74859	3.7
141.59174	4.3
152.99571	63.3
161.02983	3.7
171.10231	6.1
195.13898	26.5
204.16858	4.6
223.17032	9.8
224.17349	8.7
227.03291	4.3
253.38260	4.5
277.21756	36.4
281.21899	5.0
295.22794	93.3
297.01007	3.8
322.79019	5.1
449.25177	8.0
472.24109	4.1
523.26843	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	524.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82494	1.0
57.03448	9.9
59.01110	1.4
59.01384	29.4
61.98826	4.4
63.90644	0.7
65.85894	0.8
71.00980	1.9
71.01379	51.4
71.05020	8.9
72.99281	1.4
73.02943	7.1
75.05821	0.9
80.15213	0.9
80.15693	0.9
83.01363	3.7
85.02932	4.6
87.00834	1.2
88.04034	9.5
89.02432	8.7
99.04501	5.3
101.02426	13.6
101.06101	1.4
113.02442	9.6
116.03529	1.8
116.07159	1.2
119.03473	3.7
128.07172	3.4
143.03539	1.2
146.08231	100.0
161.04565	2.0
171.05370	0.9
200.09364	1.6
209.04198	0.9
218.34738	1.1
249.77119	0.9
263.11313	1.6
289.95496	0.9
290.12466	5.3
308.13541	15.6
336.47342	1.0
362.14597	4.3
380.15665	99.8
397.58685	1.0
422.16782	31.9
462.19778	4.3
524.19867	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
59.01388	6.5
61.98806	1.4
71.01379	14.3
71.05029	13.0
73.02940	0.8
85.02940	3.5
88.04041	46.2
88.58436	0.7
89.02412	1.0
96.95947	0.8
99.04521	6.2
101.02440	3.5
104.85174	0.8
107.34764	0.8
112.04018	5.3
113.02446	3.7
113.03500	0.8
116.07111	1.3
123.04491	4.2
130.08734	3.2
145.02962	3.3
146.08240	100.0
149.92865	0.8
152.01173	1.3
161.02449	3.8
162.03230	4.3
166.02715	0.9
167.03510	9.1
172.09871	1.1
181.05078	1.3
209.04570	10.5
218.08261	1.1
218.10376	31.4
242.10300	3.8
260.11447	8.9
269.06625	1.7
332.36047	0.8
507.15118	3.8
524.23535	60.4
525.24261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41418	0.8
54.34011	0.8
54.53248	0.7
59.01384	48.2
61.98830	5.4
65.95528	1.1
75.68093	0.9
78.95892	30.8
90.40279	0.9
96.95952	1.0
116.92819	8.0
117.92843	3.8
121.02950	5.8
143.89844	1.0
152.99574	5.1
168.03011	1.1
168.04344	5.5
180.83852	1.1
224.06931	12.4
225.18608	100.0
276.93961	1.0
277.95245	1.2
373.01315	1.2
383.08026	1.6
416.66943	1.1
443.61514	1.2
450.26309	79.4
451.26514	1.6
505.25714	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	525.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23227	1.0
54.36581	1.0
59.01378	5.4
59.80789	0.9
61.98838	14.0
71.01377	4.7
71.33296	1.3
75.00884	1.0
75.37572	1.2
77.63803	0.9
83.01443	1.2
85.03009	1.2
87.07769	1.1
89.02451	4.8
89.78918	1.1
93.60442	1.1
95.23985	1.0
106.71519	1.2
113.02448	1.5
119.03498	1.8
121.73261	1.1
122.03731	2.2
122.32250	1.1
125.02431	1.2
135.04504	2.4
138.05611	5.5
139.05952	2.4
147.04532	2.2
150.03223	85.4
165.05559	100.0
179.03488	1.2
213.68967	1.2
237.90344	1.1
293.12201	1.5
323.09872	6.6
359.07632	6.5
489.16162	2.3
525.13751	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85105	1.8
57.03452	2.3
59.01389	20.3
63.69511	1.7
65.94601	1.9
67.01891	2.7
69.05751	1.5
71.01379	20.9
71.05019	12.0
73.02946	2.8
83.01391	1.9
85.02966	7.1
87.00898	2.0
88.04030	30.8
89.02448	4.4
91.01907	3.5
95.01370	2.3
96.95983	2.6
99.04512	4.3
100.04900	1.9
101.02440	10.4
108.02180	10.4
109.02935	3.7
111.00913	2.8
113.02460	10.1
116.92852	17.0
117.03468	9.3
121.02946	2.9
123.00867	2.1
123.04512	36.3
133.02942	2.6
137.02452	4.0
144.79117	1.9
144.91063	2.0
145.02953	37.2
146.03746	7.9
146.08240	55.4
147.04526	9.8
147.08585	9.9
149.02521	2.7
151.00351	14.0
152.01105	16.0
161.02444	34.5
162.03220	45.7
163.04016	3.2
166.02737	20.3
167.03485	84.4
177.02003	3.2
177.05553	9.7
181.05037	16.7
194.02222	12.4
206.58533	2.2
209.04564	100.0
218.10361	23.2
219.10733	8.0
239.05688	17.2
260.11337	2.4
269.06677	31.9
329.08804	8.0
507.15002	37.9
524.23944	17.3
525.16589	6.8
525.24200	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	525.2561
Annotation	Murrafoline C
Peak:m/z	Relative Intensity
55.01877	1.0
56.66396	0.6
57.03440	1.2
59.01113	0.8
59.01392	16.9
64.87759	0.6
71.01387	16.7
71.04683	0.7
72.99285	1.1
73.02958	6.1
83.01377	3.7
85.02950	9.9
85.05952	0.6
86.00111	0.7
87.00860	1.1
89.02433	4.1
92.12363	1.8
93.76995	0.7
94.74362	0.6
95.01371	0.6
99.00868	5.6
101.02453	9.2
102.64674	0.6
107.80409	0.8
110.33652	0.6
112.01632	1.0
113.02464	6.0
116.92880	2.9
123.04195	0.8
135.31511	0.6
137.09760	0.8
137.67889	0.6
183.13869	1.2
201.14981	28.1
213.14955	4.1
277.89795	0.9
312.09012	0.7
313.95044	0.7
345.19272	2.9
363.20264	30.7
375.20297	12.5
393.21478	4.0
477.23044	0.9
484.55054	0.8
495.24820	7.3
507.24432	8.5
525.25580	100.0
526.26257	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	526.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09465	0.2
54.04007	0.1
59.01388	24.3
72.31075	0.2
78.33794	0.2
78.95906	17.2
85.29362	0.1
96.96915	0.2
97.64644	0.2
101.16885	0.1
103.26497	0.1
119.72865	0.2
122.98563	0.3
124.36037	0.2
131.48189	0.1
134.98433	0.2
152.99603	2.8
163.18900	0.2
166.25946	0.2
168.04314	3.0
209.31705	0.2
224.06946	7.1
227.20183	100.0
228.20505	0.6
242.08018	1.6
243.17540	0.2
295.21747	0.2
304.72534	0.2
452.27856	50.7
453.28073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	19.0
61.98831	0.4
65.01797	0.1
73.42857	0.2
78.95908	4.5
79.63826	0.1
116.92828	0.2
128.93335	0.1
152.99593	0.9
168.04340	1.1
224.06946	1.0
227.20180	100.0
228.20503	1.0
242.08029	1.3
452.27863	27.5
491.26483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82512	0.4
55.38198	0.3
57.62858	0.3
59.01384	0.5
61.46391	0.4
63.54224	0.3
71.01370	0.9
73.28739	0.4
76.05567	0.4
76.57510	0.4
78.36248	0.3
113.02431	0.6
132.62016	0.4
161.04576	0.6
260.15436	0.5
279.23288	100.0
280.23605	0.8
298.37570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.154
Annotation	Erlangerin A
Peak:m/z	Relative Intensity
59.01383	100.0
69.03452	16.8
71.01376	44.7
72.99309	7.9
73.02950	10.1
76.89608	7.2
82.95380	8.0
85.03003	8.7
87.00885	7.2
88.83253	7.5
89.02436	17.9
92.92638	8.5
101.02410	15.6
113.27722	7.9
125.02435	9.1
153.02005	11.1
171.65805	8.7
172.43565	9.9
383.11905	39.0
425.13138	12.9
450.00974	9.1
527.15155	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45804	1.3
58.74527	1.2
59.01386	100.0
71.01363	10.0
73.02958	2.9
76.11166	1.5
85.02950	2.7
87.00882	2.9
89.02425	5.8
96.95982	1.9
101.02441	6.6
106.55082	1.5
113.02448	3.2
113.61878	1.5
116.92816	3.2
117.00437	1.6
134.03687	2.7
141.01694	46.7
153.01936	11.1
160.01671	7.1
161.04562	1.6
168.04250	18.9
175.03996	6.5
182.01855	1.7
183.06607	8.4
193.05064	3.0
267.99387	1.8
358.62766	1.6
461.95740	1.6
483.42114	1.4
489.16190	8.7
491.17691	21.4
527.14716	4.4
527.22943	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	527.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64090	1.8
59.01389	19.1
61.98826	3.7
62.46321	2.0
62.69349	2.0
63.92301	2.1
67.16154	2.1
71.01380	15.5
72.99303	4.7
75.00861	20.2
85.02950	22.3
87.00843	8.7
87.38849	2.1
95.01395	3.4
95.80307	2.6
97.02911	1.9
99.00871	12.9
113.02444	18.8
114.74214	2.1
136.95555	2.1
142.95026	2.1
152.99629	4.3
164.19818	2.7
180.81686	2.4
199.84529	2.5
249.06204	14.1
277.21765	78.9
318.03061	3.0
375.71262	2.6
509.70047	3.0
527.28687	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	527.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90879	39.9
59.01388	82.1
69.88281	45.7
74.96063	40.3
82.95403	60.3
86.41823	39.2
92.12406	100.0
117.80663	49.9
172.20345	49.4
255.23276	64.4
375.29446	48.5
527.29584	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00438	0.1
52.64583	0.1
53.47677	0.1
55.87708	0.2
59.01395	0.2
60.99314	0.2
72.99311	1.3
75.00874	100.0
76.01202	0.3
92.12341	0.5
93.86958	0.2
106.43423	0.2
116.92847	0.2
124.36220	0.2
133.04283	0.2
275.59769	0.2
451.33136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98822	0.8
74.41889	0.4
78.95898	17.7
87.37283	0.4
91.16680	0.3
112.71687	0.3
116.92895	0.4
152.99548	2.5
163.41263	0.3
168.04297	3.3
224.06934	8.4
242.07970	1.3
253.21736	100.0
457.96310	0.4
478.29428	50.5
535.58417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	70.5
71.01379	100.0
73.02934	9.6
85.02962	31.7
87.00879	15.2
88.98801	13.3
89.02435	44.5
101.02419	49.0
113.02446	33.2
119.03496	8.8
135.83661	8.1
143.03542	12.4
179.05580	16.7
191.01846	10.3
306.07532	10.8
323.09845	81.7
484.98447	10.2
493.15689	66.5
529.13892	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	529.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93756	0.6
55.01872	1.2
57.03450	2.9
58.00607	0.9
59.01387	77.4
61.98838	0.8
63.49993	0.6
71.01382	25.5
72.99303	1.2
73.02951	9.6
83.01387	3.4
83.05042	1.1
84.27197	0.7
85.02945	10.4
87.00867	2.7
89.02438	15.3
90.76312	0.6
95.01382	1.6
95.81353	0.7
99.00887	1.4
101.02435	17.8
111.00887	1.2
113.02459	9.4
115.18284	0.9
116.38311	0.7
119.03486	5.4
134.03726	1.5
137.02475	1.0
161.04584	1.1
179.05647	1.4
189.12906	1.5
193.05061	1.5
212.82291	0.7
220.72418	0.8
237.15004	1.5
425.18353	1.1
443.19360	5.5
452.20175	0.8
469.22906	1.7
485.20334	100.0
486.20737	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12009	0.6
56.01998	0.6
58.92263	0.6
59.01386	100.0
60.08949	0.6
67.14334	0.6
69.03460	1.0
73.57584	0.6
78.90183	0.7
85.61579	0.7
111.88393	0.7
121.02929	1.6
133.02937	1.0
141.01701	42.9
141.06720	1.1
156.62595	0.7
157.71919	0.7
161.02467	2.8
335.20993	6.6
353.21716	2.6
367.19876	6.0
381.83505	0.8
395.23038	0.9
469.26431	1.8
493.27704	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	529.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40744	0.4
51.84542	0.4
55.01871	1.0
56.50289	0.4
57.03452	4.1
59.01112	0.7
59.01386	20.4
69.03465	0.4
71.00986	0.7
71.01376	20.4
72.88350	0.4
72.99297	6.1
73.02928	0.9
75.00445	0.8
75.00863	17.4
76.02744	0.4
78.95885	2.4
83.01384	0.6
85.02946	27.8
87.00866	8.4
89.02441	7.8
91.55752	0.5
92.12412	0.9
95.01363	6.0
99.00867	10.3
101.02410	0.7
103.00349	2.0
110.98503	2.9
112.01648	0.6
113.02442	27.7
115.00332	1.1
115.18869	0.5
117.01934	4.4
129.01953	1.0
146.25430	0.4
149.04483	0.5
167.01167	2.1
175.02469	2.2
205.07204	1.8
222.60703	0.5
244.77814	0.5
249.06165	5.6
255.23112	0.8
267.07217	6.3
279.23297	98.9
280.23557	0.7
423.32080	0.5
447.25281	8.8
469.28519	0.6
511.29309	2.0
529.30225	100.0
530.30579	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	529.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73876	0.2
55.01875	0.7
57.03452	2.6
58.00612	0.3
59.01385	15.0
61.98844	0.6
67.01878	0.6
68.99811	0.4
69.03448	0.5
69.21937	0.3
69.77950	0.3
71.01380	15.7
72.99302	4.3
73.02930	0.7
75.00868	15.1
78.95901	4.2
80.68725	0.3
81.03445	0.4
83.01381	1.3
84.02163	0.4
85.02947	17.6
87.00874	6.7
89.02452	4.2
93.03491	0.5
95.01384	4.5
96.95983	0.8
99.00865	10.1
99.92525	0.4
103.00379	1.4
110.98538	1.7
111.00894	0.5
113.02446	16.8
115.00372	1.8
115.04006	0.4
116.92828	3.7
117.01919	2.3
129.01956	1.6
167.01122	1.4
168.75598	0.3
175.02473	2.0
205.07050	0.5
219.97925	0.4
221.21121	0.4
223.02025	0.3
224.06924	0.5
231.05092	1.5
244.84169	0.4
249.06163	12.1
255.23343	10.1
261.22333	0.4
267.07251	2.0
279.23297	100.0
280.23636	2.8
307.56970	0.3
437.41708	0.4
447.25162	5.1
466.29410	1.5
469.28125	0.5
480.31076	3.9
511.28961	2.6
529.30231	88.4
530.30682	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	530.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86407	0.1
58.42044	0.1
61.97991	0.2
78.95894	4.8
78.96321	0.3
89.08076	0.1
92.11621	0.2
97.49688	0.1
140.96443	0.1
152.99574	0.7
163.01057	0.2
168.04248	1.4
174.13043	0.1
175.98859	0.2
176.24677	0.2
224.06947	1.0
237.22162	0.2
242.07977	2.0
255.23305	100.0
256.23755	1.2
279.23349	0.8
280.23737	0.9
323.31784	0.2
448.25507	0.2
480.30994	33.5
481.31552	0.7
491.32819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96674	0.2
61.98822	0.7
68.98997	0.1
70.27740	0.2
78.95894	17.3
84.37966	0.2
86.12397	0.2
96.96976	0.3
110.98566	0.2
152.99573	2.8
168.04317	3.4
178.08102	0.2
199.35004	0.2
203.58231	0.2
208.64467	0.2
224.06914	8.0
227.19319	0.2
242.07886	1.5
255.23294	100.0
256.23709	0.4
280.23615	0.4
480.30975	51.5
481.31265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.00809	0.2
59.01380	2.1
61.98835	3.7
64.07095	0.2
71.01374	1.6
71.73936	0.2
72.99255	0.2
73.02951	0.2
76.20670	0.2
85.02960	0.4
89.02444	0.9
92.11694	0.3
95.01348	0.2
96.96001	1.4
99.00866	1.6
99.92580	13.9
100.93373	1.1
101.02446	0.9
103.00340	0.3
108.04554	3.6
113.02419	0.9
114.93389	0.3
114.94892	0.3
115.92067	20.4
116.92851	100.0
117.92852	1.3
117.93625	0.3
118.02979	1.0
119.03374	0.2
128.03510	0.3
134.02495	0.2
136.04080	0.3
140.92857	0.8
141.93625	0.9
142.94406	2.0
143.04633	0.5
144.04590	0.4
153.01955	1.5
156.92363	0.3
158.93901	0.3
162.05629	1.0
163.05666	0.2
164.03517	2.0
168.04279	1.2
174.93361	0.4
175.11244	0.5
183.06683	0.8
184.91824	0.5
188.03552	1.6
189.03885	0.4
206.04575	0.3
224.37244	0.2
236.94905	0.5
242.96021	0.5
298.98694	0.9
305.10645	0.3
306.07571	0.2
386.11005	1.3
387.11450	0.4
409.02374	0.5
427.03387	1.8
429.12531	0.3
445.04358	3.1
457.04559	0.5
469.04550	1.5
487.05444	3.0
495.02594	1.0
530.15570	0.3
531.04572	7.4
531.20880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.318
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
51.95932	0.5
54.24630	0.5
57.03448	1.4
59.01110	0.6
59.01384	13.5
66.58278	0.6
68.87893	0.5
68.99781	0.9
71.01044	0.8
71.01382	12.8
72.99293	2.8
75.00866	11.0
78.95885	2.8
81.03439	0.6
83.01400	0.7
85.02946	12.3
87.00869	5.1
89.02418	2.8
92.11681	1.3
95.01363	2.5
99.00875	4.5
102.32693	0.5
110.98515	1.3
113.01700	0.9
113.02435	13.5
115.00350	0.8
116.92863	6.1
117.01900	1.4
129.01988	0.6
134.89450	1.0
167.01128	3.0
175.02530	1.4
231.05063	0.7
249.06128	8.8
255.23325	1.3
267.07266	1.0
277.12292	0.8
281.24854	100.0
282.25153	1.1
339.34869	0.8
449.26797	9.5
457.64020	0.7
513.30548	2.0
531.31757	72.4
532.32220	0.9
550.38232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.6
57.03465	1.6
59.01384	100.0
60.01696	0.8
61.17019	0.8
61.98822	1.9
73.02953	2.1
74.29926	0.8
78.95890	1.5
81.49269	0.9
83.01388	9.2
91.04025	1.8
92.65724	1.0
92.79216	0.9
96.96001	1.4
101.02431	1.6
116.92876	6.8
119.03472	1.4
129.94154	0.9
157.05145	1.1
164.54741	1.0
175.06119	4.5
193.07143	3.8
234.89893	1.0
255.23300	49.4
256.23611	1.2
281.24728	1.4
282.25198	3.5
308.48340	1.1
413.29053	7.2
431.30176	37.5
450.26761	1.0
458.35022	1.6
473.31250	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	532.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
57.03456	3.0
59.01384	100.0
60.01717	0.3
61.98828	0.9
67.09290	0.2
71.01380	0.3
73.02949	1.0
78.95905	0.9
82.95428	0.2
83.01381	10.5
85.02960	0.4
89.02439	0.9
91.03987	2.6
101.02441	3.2
110.98510	0.3
116.92862	2.5
117.92891	1.2
119.03478	0.3
131.65031	0.3
157.05049	6.1
171.67447	0.2
175.06105	13.9
193.07188	2.8
195.17552	0.2
237.22289	0.3
255.23296	59.8
256.23615	0.8
281.24963	1.6
282.25119	4.1
307.26431	0.9
401.94006	0.2
413.29111	8.1
431.30157	44.6
432.30603	0.8
450.27109	1.3
458.35062	1.8
473.31256	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	533.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61349	0.2
54.37161	0.2
55.75293	0.3
59.01369	1.5
71.01369	1.8
73.02949	0.4
79.01867	0.5
89.02389	0.4
91.05526	0.4
93.03431	1.9
95.01366	0.4
101.02406	0.3
116.92828	0.6
117.03443	5.7
119.05045	0.5
125.02402	0.4
131.05008	0.4
135.04471	2.5
147.04514	1.6
149.02431	0.6
149.06038	0.5
151.03937	0.3
153.01878	2.2
159.04482	0.6
161.02446	3.4
161.06145	0.6
163.03992	1.6
168.04219	2.6
173.02332	0.4
173.06047	0.5
175.03937	2.4
177.01923	1.1
177.05630	1.5
179.03474	0.7
183.06607	1.5
185.02437	0.3
187.03986	0.5
189.01949	0.4
189.05568	0.7
190.90907	0.3
191.03470	2.0
193.05043	0.4
197.06015	0.4
199.04138	0.3
203.03519	2.1
205.01173	0.3
205.05061	0.6
215.03587	0.6
216.13338	0.3
217.04974	0.5
221.04442	0.5
223.07489	0.4
233.04437	0.6
237.05640	0.3
245.04494	0.6
253.08734	0.5
267.06653	1.4
268.07361	1.7
271.02188	0.4
279.06512	1.1
281.04556	2.4
282.05414	2.9
283.06131	6.8
293.04721	0.6
294.05249	0.4
295.06125	8.3
296.06821	2.5
297.07678	24.8
298.08142	0.3
307.06110	3.5
309.07663	4.2
311.05603	4.9
314.04160	0.4
321.04263	0.5
321.07736	0.5
323.05618	6.1
324.06311	0.4
325.07190	10.6
328.05856	6.2
335.05630	2.0
337.07080	4.6
339.05069	0.3
341.06680	0.6
347.05734	0.5
349.07526	0.5
351.04971	1.2
353.06671	43.3
354.06876	0.5
355.08276	1.7
356.05460	2.0
360.47748	0.3
365.06686	8.3
377.06955	0.6
379.07944	0.6
381.06235	0.4
383.07745	34.4
384.07816	0.6
390.11188	0.3
395.07761	3.6
397.09366	0.5
407.08011	1.3
413.08810	5.0
425.08875	2.4
437.08893	0.4
443.09879	13.9
455.10013	0.7
473.10773	6.5
491.17697	1.6
515.11865	1.9
533.13025	100.0
534.13422	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	533.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32565	0.1
59.01369	1.0
71.01382	1.5
73.02928	0.9
77.03955	0.2
77.38119	0.1
79.01869	0.3
91.05501	0.4
93.03457	1.4
95.01361	0.3
99.92477	0.2
115.05488	0.2
116.92831	0.3
117.02647	0.3
117.03446	6.7
117.41265	0.2
119.05022	1.3
123.04480	0.2
125.02379	0.2
131.04977	0.8
133.02962	0.3
133.06622	0.4
135.04506	3.0
137.02422	0.3
147.04529	0.9
149.02405	1.6
149.06081	0.8
151.04001	0.2
159.04491	1.0
161.02434	3.5
161.06021	0.6
162.03104	0.2
163.03989	2.0
173.06049	0.7
175.03998	2.3
177.01936	0.9
177.05553	2.0
179.03496	0.9
185.02406	0.7
187.04028	0.7
189.01918	1.0
189.05583	1.0
190.02751	0.2
191.03481	2.0
193.05113	0.3
197.06044	0.6
199.03993	0.3
201.01985	0.3
203.03493	2.0
205.01421	0.2
205.05055	1.1
211.07715	0.2
215.03493	0.6
217.05025	1.0
221.04594	0.8
223.07619	0.7
224.08501	0.6
225.05518	0.6
225.09157	0.3
227.03476	0.3
233.04469	1.2
237.05542	0.3
238.06293	0.2
239.07176	0.7
241.05159	0.2
245.04475	1.1
251.07098	0.7
253.04965	0.3
253.08723	1.0
254.05840	0.3
257.04428	0.3
265.05115	0.3
267.06635	1.4
268.04416	0.2
268.07230	1.6
269.04517	0.7
271.02719	0.2
278.05887	0.3
279.06595	0.7
281.04547	1.8
281.07291	0.2
282.05310	3.0
283.06107	6.6
293.04504	0.8
293.07986	0.3
294.05386	0.8
295.06104	8.0
296.06848	3.4
297.07657	25.7
298.07980	0.8
306.05289	0.3
307.06116	3.4
309.07681	4.4
311.05530	4.5
314.04239	0.3
319.06244	0.2
321.04129	0.6
321.07718	0.6
322.04898	0.8
323.01978	0.3
323.05603	6.2
323.08878	0.3
324.06506	1.2
325.07187	10.5
326.07471	0.2
328.05878	6.0
335.05692	2.5
337.07184	5.0
341.06711	1.3
349.07199	0.4
351.05145	0.3
353.06659	38.1
354.06924	1.0
355.08286	1.8
356.05307	1.7
361.07101	0.4
365.02002	0.3
365.06619	7.7
365.10959	0.3
366.06937	0.2
367.08072	0.6
377.06586	0.3
379.08130	1.0
381.06305	0.6
383.07733	30.9
384.07968	0.9
386.06561	0.4
389.06567	0.3
395.07672	3.4
397.09485	0.7
407.07803	1.2
411.07104	0.2
413.08762	5.3
414.08829	0.3
425.08810	2.3
437.08698	0.3
443.09821	12.3
443.15985	0.4
444.10284	0.2
455.09851	1.1
473.10886	6.0
485.11554	0.2
497.10953	0.2
515.11975	1.7
533.13013	100.0
534.13446	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	533.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
57.20756	0.4
58.66399	0.4
59.01383	8.4
61.98821	1.0
64.61028	0.4
71.01368	2.9
73.02927	1.2
80.91697	0.5
81.95642	0.4
82.95414	2.4
85.02955	0.6
89.02435	0.5
93.03436	2.0
94.03159	0.5
95.01382	0.5
99.92547	0.7
101.02407	0.8
111.00879	0.7
116.92844	8.8
117.03419	6.6
117.92970	0.5
119.03528	0.5
119.05000	2.4
135.04507	4.8
137.02431	0.6
141.01688	0.9
145.02925	0.6
145.26299	0.5
147.04510	1.2
149.02448	0.8
149.06105	0.7
159.04472	1.2
161.02440	3.8
161.06039	0.8
163.03998	2.1
163.64116	0.6
175.03975	2.6
177.05597	2.4
179.03459	0.7
189.01865	0.6
189.05508	0.6
191.03537	2.7
203.03580	2.3
207.06766	0.5
217.05258	0.6
221.04424	0.7
233.04530	1.9
237.05742	0.5
245.04544	0.7
253.08533	0.5
265.05096	0.6
267.06723	0.9
268.07394	0.9
276.95389	0.6
279.06546	0.6
281.04468	1.0
281.07980	0.6
282.05322	2.4
283.06143	7.6
295.06091	8.5
296.06860	3.8
297.07700	28.7
297.11057	1.1
307.06155	5.3
309.07721	3.0
311.05701	4.6
323.05688	7.3
325.03485	0.6
325.07239	11.6
328.05887	7.7
335.05588	2.4
337.07300	4.1
341.06866	0.7
351.05090	0.9
353.06696	42.3
355.08221	2.1
356.05472	1.8
365.06763	8.0
383.07776	34.9
384.08209	0.7
389.06284	0.7
389.18030	2.1
395.07623	4.6
407.07870	2.4
413.09128	4.1
425.08829	3.3
431.19171	1.0
443.09818	13.5
455.09567	1.0
473.10965	7.3
533.13062	100.0
534.13507	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	534.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82732	0.1
57.03453	0.2
59.01385	9.4
61.98840	0.2
63.00894	0.1
71.01379	7.0
72.00919	0.2
72.99306	3.3
73.02930	1.0
77.39622	0.2
82.42417	0.1
83.01386	0.7
83.20374	0.1
85.02937	1.8
87.00850	0.7
89.02435	6.9
95.01350	0.2
97.02930	0.3
101.02435	4.9
105.02180	0.8
113.02458	2.7
119.03491	2.3
120.00894	1.3
121.01682	2.7
122.02480	3.6
123.03237	0.4
125.02476	0.3
128.03543	0.6
131.03491	0.7
133.01720	1.8
136.00365	0.4
138.01965	0.2
138.05580	1.5
143.03502	0.2
148.04051	0.8
149.01178	100.0
150.01509	0.3
150.03223	0.3
152.03497	0.3
159.06592	0.2
161.04552	1.0
164.03532	41.9
179.05617	2.7
181.23077	0.2
183.34921	0.2
192.03036	9.8
210.04074	0.8
221.06656	0.9
225.88300	0.2
291.47324	0.2
534.14502	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	534.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61431	0.4
50.61832	0.4
54.96862	0.6
55.19715	0.5
56.73570	0.5
58.39936	0.5
59.01378	0.8
61.98824	3.6
72.80677	0.5
78.95471	1.0
78.95901	18.3
84.42673	0.6
92.12442	0.9
104.98922	0.6
122.00082	0.7
140.01146	5.5
152.99583	2.5
182.46280	0.7
196.03804	9.6
214.04852	0.8
226.15758	0.7
234.39491	0.6
255.23286	100.0
256.23572	3.5
294.30466	0.6
438.77271	0.6
452.27872	45.1
453.28156	1.3
482.31555	1.0
534.27625	0.6
557.67700	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	11.7
58.92374	0.3
59.01385	14.0
61.98821	0.7
67.14236	0.4
71.01378	4.4
73.02907	1.1
73.70881	0.4
80.40720	0.4
82.95409	8.2
83.57477	0.4
85.02917	2.9
87.04464	0.5
89.02442	3.7
92.41822	0.4
99.04491	7.0
99.92549	0.6
101.02422	5.6
108.02164	6.7
109.02927	7.0
113.02416	1.0
115.92057	0.5
116.34240	0.5
116.92836	6.3
119.03456	0.9
119.05014	0.6
121.02947	5.4
122.03728	1.1
123.00832	0.9
123.04513	6.2
129.03406	2.5
131.04938	0.5
134.03683	1.9
136.05283	1.0
137.02429	1.0
138.03189	0.9
143.05064	0.5
145.02875	0.7
146.03706	5.7
147.04514	63.9
148.05247	3.4
149.02419	3.4
149.06049	1.0
150.03220	6.9
151.04022	0.7
158.03717	7.0
159.04507	24.2
160.05286	35.3
161.04651	0.7
161.06061	12.8
162.06837	0.9
163.04015	8.8
164.04776	20.6
168.04256	0.5
172.81691	0.5
173.06053	5.1
175.07622	32.6
177.05568	9.9
178.06317	7.9
179.05637	0.7
189.50168	0.4
189.66708	0.4
191.07338	0.5
192.07899	0.7
193.05067	2.8
193.08656	3.1
197.36055	0.5
226.08994	0.5
239.07005	0.6
240.07794	1.7
251.07124	2.0
252.07932	5.7
267.06567	5.1
268.07416	31.8
268.10333	1.0
282.08914	2.0
283.09760	44.5
284.10422	2.3
297.11456	3.5
298.12103	15.1
299.12891	5.2
329.13962	100.0
330.10980	0.8
330.14502	0.7
373.12930	25.8
373.26038	1.9
391.27051	1.0
535.18323	50.8
535.30707	12.5
536.18579	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83834	0.2
52.42822	0.2
52.95591	0.2
54.82541	0.2
57.03446	0.3
59.01373	1.0
64.34081	0.2
71.01383	1.9
73.02926	1.0
82.34656	0.2
82.94973	0.3
82.95414	6.5
85.02943	1.3
93.03467	0.4
96.95979	0.2
101.02419	1.0
108.02169	3.2
109.02940	5.6
113.02480	0.8
116.92863	2.1
119.04965	0.4
121.02941	6.1
122.03701	2.0
123.00870	1.0
123.04534	2.6
124.01609	0.9
134.03702	1.7
135.04509	0.3
136.01645	0.5
136.05295	1.9
137.02469	0.9
137.06039	0.4
143.04973	0.9
145.02904	0.4
145.06578	0.3
146.03740	1.9
147.04507	13.9
148.05299	6.0
149.02438	1.7
149.06049	0.5
150.03214	6.4
151.03989	1.2
153.05569	0.4
158.03703	3.2
159.04498	10.7
160.05287	31.0
161.06064	22.7
162.03262	0.9
162.06868	2.4
163.03986	5.9
164.04776	6.6
165.05635	0.3
168.04263	1.4
173.06076	4.2
174.06790	0.3
175.07634	30.3
176.04759	0.5
177.05559	6.8
178.02682	0.3
178.06343	8.6
192.07928	1.3
193.05069	1.2
193.08725	2.7
235.87352	0.2
241.08636	0.4
252.07846	0.3
265.08789	0.3
266.09485	1.1
267.06671	0.3
268.07407	3.5
269.08148	2.7
283.09793	4.8
284.10535	10.0
297.11215	0.3
298.12201	0.4
299.09460	0.4
299.12869	11.4
314.11551	0.5
329.13968	100.0
330.14157	0.5
373.12949	5.3
425.61230	0.3
428.35306	0.2
491.19278	3.6
535.18494	4.5
535.30975	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78091	0.2
57.03455	98.5
58.03793	0.2
59.01385	54.3
69.03453	0.4
71.01385	1.7
71.05034	0.7
73.02944	7.7
81.03465	1.1
83.01353	0.9
83.05030	1.1
85.02949	2.7
87.04498	4.3
97.06596	1.8
99.04511	45.8
99.08170	0.6
101.02432	19.7
101.06091	0.5
109.06589	0.6
111.08152	0.7
113.09755	0.6
115.07587	0.3
116.92877	0.4
123.08141	1.7
125.02429	4.0
125.09710	0.6
127.07675	0.6
129.09235	0.5
135.08183	0.5
137.09705	6.0
138.06874	0.4
139.07646	1.1
141.09201	0.3
143.03496	0.6
143.10783	1.4
153.09210	1.6
155.10806	0.4
159.10141	0.5
161.04559	1.7
165.09198	0.5
167.10826	0.3
173.11833	2.3
181.12399	0.4
187.13388	2.0
199.13425	0.7
216.13795	0.5
217.14458	9.5
245.17551	1.5
285.20749	0.4
287.22394	0.6
329.23129	0.5
347.24435	1.9
355.24976	0.5
373.25977	12.5
391.27054	27.4
392.27298	1.2
433.27936	2.8
473.31198	1.5
475.29584	0.4
535.31287	100.0
536.32025	4.1
562.68182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3086
Annotation	Sanjoinine G2
Peak:m/z	Relative Intensity
58.02980	6.8
59.01388	2.3
61.98830	0.4
71.01364	0.6
73.02948	0.5
74.66580	0.3
75.99133	0.3
85.02924	0.3
89.02450	0.4
93.03448	1.5
96.95966	0.4
99.05569	0.3
101.02454	0.6
104.05045	0.6
107.05024	1.8
108.02162	0.3
109.02952	0.3
115.08763	2.1
115.91982	0.3
116.92843	1.8
117.03452	11.8
118.06615	1.4
119.05013	10.5
120.04494	1.1
121.02945	4.9
123.04485	0.6
127.08761	0.4
128.03532	0.4
132.05792	1.3
133.01695	3.3
133.02739	0.4
134.02461	6.7
134.03708	4.5
134.06076	0.6
135.03609	0.3
135.04512	3.7
136.04022	6.4
138.03047	0.3
143.04622	0.5
145.02951	44.8
145.06563	3.1
148.04053	5.7
148.05229	0.5
149.04802	2.3
149.06090	2.9
150.05559	0.3
151.04045	0.3
160.04065	0.6
161.02368	0.4
161.04817	4.6
162.05609	11.7
162.06929	0.7
164.07106	0.4
167.03490	0.4
174.05606	0.6
176.03534	0.4
176.07158	7.8
176.50676	0.3
186.16132	3.2
188.07115	0.3
189.95563	0.3
198.16170	3.7
204.06606	1.2
204.56194	0.3
205.09833	0.3
209.06972	1.3
219.11433	0.5
233.12994	0.4
247.14583	0.5
276.17166	2.5
287.14093	0.3
290.15417	0.5
290.18771	2.3
302.18631	1.4
307.06406	0.3
316.20062	0.3
319.21454	0.4
330.18079	0.4
332.19739	2.3
335.05826	0.5
344.19809	1.1
351.27377	0.3
359.20953	0.3
361.22522	5.8
375.24057	0.5
376.24814	1.6
391.27118	2.2
425.08914	1.4
450.23856	0.4
464.21805	0.4
478.23560	0.7
480.27612	1.0
493.23190	0.4
495.29807	1.3
521.27637	1.5
522.28485	6.3
537.30872	100.0
538.31134	1.6
545.13281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82781	2.1
57.03461	99.6
58.03791	2.1
58.34610	1.9
59.01389	69.4
68.99110	2.0
71.01382	11.6
73.02953	24.8
85.02958	14.8
85.06579	2.4
99.04517	50.4
101.02431	21.8
103.04034	2.1
116.92838	4.3
118.52672	2.1
123.69889	2.1
125.02441	12.7
125.09699	3.2
127.11245	4.4
137.09720	10.9
161.04558	26.7
171.13896	4.3
173.11855	2.7
201.14966	36.8
229.18010	3.4
287.22330	3.4
315.25656	2.3
331.24890	9.0
375.27588	39.8
393.28635	100.0
394.29129	5.1
416.11322	2.3
477.30740	5.4
537.32776	79.3
538.33081	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	537.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68677	1.5
50.96334	1.4
57.03454	90.1
58.32456	1.8
59.01101	3.6
59.01382	64.4
68.09675	1.7
71.01368	13.9
73.02943	28.1
85.02933	14.9
87.04510	3.4
89.02448	2.0
92.11726	4.6
97.06570	2.1
99.04500	52.5
101.02438	23.8
103.03999	2.2
116.92861	3.4
121.55061	2.0
125.02438	9.6
125.23019	1.8
127.11316	2.2
137.09705	12.6
143.03476	2.2
161.04553	21.7
171.13937	9.2
201.14948	33.4
229.18121	3.1
285.91782	2.1
287.22324	4.4
315.25415	3.0
315.60236	2.3
331.24857	7.4
375.27512	45.3
393.23587	4.0
393.28589	100.0
394.29004	2.7
477.30731	4.7
504.96082	2.4
537.32800	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97696	1.0
59.01379	9.8
61.98817	1.3
70.81864	1.1
78.95892	21.4
88.90009	1.2
152.99564	5.8
224.06950	7.2
242.08047	1.5
243.19778	8.8
255.23309	100.0
256.23615	1.4
480.30991	73.5
537.34979	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
76.82684	1.3
78.95906	6.8
87.45069	1.4
88.98798	1.8
131.46225	1.3
152.99611	1.9
159.05638	1.3
163.52190	1.2
194.52948	1.3
255.23299	100.0
279.23349	2.3
331.34808	1.3
430.54938	1.3
480.31000	48.7
537.33655	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	537.4893
Annotation	5-PAHSA
Peak:m/z	Relative Intensity
53.88486	0.3
61.98812	1.5
68.38368	0.3
69.05134	0.4
82.95429	0.4
86.17294	0.4
125.09693	4.7
139.59566	0.4
187.09764	2.0
255.23317	61.9
256.23685	0.6
261.13397	0.5
281.24875	100.0
282.25357	1.3
499.36539	2.5
506.25546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	31.5
61.98837	0.6
64.28883	0.1
71.01387	0.2
78.95900	21.1
96.96955	0.3
107.40559	0.1
122.98567	0.2
140.31615	0.1
142.30124	0.1
145.49716	0.1
152.99590	3.5
168.04317	3.1
199.45621	0.1
200.00296	0.1
221.19110	1.1
224.04741	0.3
224.06944	8.9
239.20178	100.0
240.20491	2.0
242.07985	2.5
464.27863	53.4
465.28177	2.1
523.25916	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	1.9
59.01388	40.1
61.98831	6.8
63.98932	0.8
66.75739	0.9
78.95905	29.9
96.96931	1.2
99.68474	0.9
104.38055	0.9
132.88124	0.9
151.65282	0.9
152.99608	1.5
168.04347	2.4
177.48329	1.0
224.06920	11.3
239.20187	100.0
242.07979	2.4
253.21535	2.9
464.27859	65.5
465.28152	1.3
479.13705	1.2
539.25696	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	538.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	25.4
61.98827	2.9
78.35971	0.5
78.95911	6.8
88.86617	0.4
96.57946	0.5
116.92822	1.9
128.60193	0.5
135.82561	0.4
146.14447	0.5
152.99547	0.8
155.21017	0.4
168.04245	0.8
207.02556	0.5
217.00391	0.6
221.19072	0.6
224.07040	0.9
239.20175	100.0
240.20667	0.5
242.07970	2.2
258.67294	0.5
332.62268	0.5
378.19595	0.5
464.27820	27.3
465.28134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99913	0.4
57.03456	0.5
59.01385	44.1
64.13140	0.7
71.01380	30.2
72.99298	0.6
73.02924	3.6
83.01385	1.0
85.02935	5.2
85.48961	0.5
87.00871	10.3
89.02437	64.2
95.01356	1.2
97.02923	0.7
99.00862	1.0
99.49370	0.6
101.02431	25.0
113.02444	17.1
119.03497	12.0
125.02433	1.3
131.03493	1.4
143.03519	4.1
149.04523	1.3
160.75853	0.7
161.04535	8.9
179.05623	33.2
221.06673	31.8
281.08743	3.2
323.09811	3.8
341.10901	4.4
377.08627	15.4
390.39822	0.6
503.16223	100.0
518.96838	0.7
538.22949	0.7
539.13885	74.8
564.82813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78886	1.0
55.01861	0.8
55.13869	0.9
57.03442	1.4
59.01376	11.8
61.98856	0.9
67.01900	1.0
68.99797	1.5
69.03455	1.0
69.59769	0.9
71.01375	17.8
81.03436	2.1
83.01348	4.2
85.02939	4.7
87.00842	2.0
89.02419	4.0
92.12443	2.0
95.01350	6.9
96.96004	1.1
101.02411	5.8
107.01377	9.5
109.02917	3.9
111.00868	2.2
113.02407	4.4
116.92841	6.5
120.99281	1.7
121.02950	19.5
122.00091	2.0
123.00018	2.1
123.00869	46.4
124.01652	8.0
125.02414	1.9
127.00327	2.4
136.89195	1.8
136.98857	1.3
137.02438	24.2
138.03217	28.2
139.00346	4.2
139.03998	14.3
140.86143	1.0
149.02420	1.3
149.06046	1.5
153.01903	6.7
153.05563	22.3
155.03452	5.5
165.01907	5.7
165.64911	1.2
166.99838	33.9
168.00641	14.0
169.01387	1.4
180.04210	2.5
181.01428	22.1
182.02199	100.0
183.01385	1.8
183.02963	38.1
195.02921	1.9
195.06680	1.5
196.03754	19.9
197.04550	87.9
210.05182	1.6
211.06151	15.6
225.04042	1.7
239.05585	1.4
255.04944	1.3
311.04214	1.9
326.06274	4.5
327.07263	48.7
341.08777	24.3
432.36703	1.2
435.25687	1.5
503.15662	1.5
539.13989	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	539.2712
Annotation	Murrastifoline C
Peak:m/z	Relative Intensity
50.11629	1.3
55.01879	2.2
57.03443	4.8
58.07178	1.0
59.01108	1.7
59.01390	40.9
60.56934	1.0
71.01383	25.5
73.02941	14.2
78.69270	1.6
83.01382	8.8
85.02950	15.0
86.73349	1.4
89.02433	7.8
95.01376	1.6
99.00873	7.5
99.04497	1.7
100.08629	1.2
100.18998	1.3
101.02436	30.3
113.02464	13.2
116.92827	2.7
120.87994	1.5
159.03036	2.7
161.04562	8.1
290.12396	1.3
347.20654	8.3
479.24988	12.1
498.26874	1.5
538.32379	2.7
539.27106	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	539.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37464	0.4
55.56227	0.4
58.20133	0.4
58.95972	0.4
59.01370	0.8
61.98832	15.9
62.96399	0.4
78.95898	21.7
94.21642	0.5
103.83012	0.5
116.92863	0.6
122.00133	0.6
140.01167	7.2
152.99579	2.0
196.03806	10.6
214.04874	2.5
279.23288	100.0
280.23569	0.7
476.27853	53.5
495.96396	0.6
513.63757	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.2
67.59638	0.3
71.01381	0.5
83.05014	0.4
84.95114	4.6
86.95551	0.4
87.00866	100.0
88.00406	2.0
88.01212	0.4
89.02486	0.2
90.95559	0.2
97.22086	0.2
399.16467	0.3
451.32925	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	540.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95481	0.4
56.27430	0.5
57.48679	0.5
58.22716	0.5
59.01387	1.3
61.85330	0.4
61.98850	0.7
62.06880	0.4
71.01375	2.3
74.13688	0.5
80.31668	0.5
82.45372	0.5
89.02438	2.3
96.95987	1.1
101.02454	0.6
108.04558	100.0
109.01718	1.2
109.04878	1.1
118.02991	15.3
130.08717	2.7
136.12198	0.5
137.00867	0.5
159.42004	0.5
162.05580	2.1
173.86084	0.5
175.00806	0.5
180.06665	98.0
181.07018	0.8
214.09074	0.5
228.08780	0.8
244.60588	0.6
246.09825	0.9
256.28723	0.5
270.47626	0.6
293.12509	1.1
394.86594	0.6
454.78278	0.5
504.17191	8.1
540.14435	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	540.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	0.5
63.95344	0.3
71.97385	0.4
77.52632	0.4
78.95893	6.3
91.53250	0.4
112.26799	0.4
113.06120	0.4
143.80922	0.4
152.99519	1.5
161.15761	0.4
168.04274	0.7
211.25621	0.4
224.06873	0.7
242.07993	1.9
255.23293	100.0
256.23660	0.8
279.23325	1.9
389.19846	0.4
480.30954	33.7
481.31293	0.7
555.48047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94372	0.2
59.01383	23.0
61.98813	0.4
70.67999	0.2
78.95892	17.9
81.20710	0.2
87.90834	0.2
107.62138	0.2
115.22009	0.2
122.98547	0.3
152.99582	2.8
156.58887	0.2
168.04279	3.7
180.60555	0.2
186.63538	0.2
224.06941	7.9
232.01981	0.2
241.21735	100.0
242.07945	1.6
242.22067	2.0
254.06421	0.2
303.18628	0.2
466.29398	53.7
467.29718	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	540.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	19.0
61.98824	1.6
72.58881	0.3
75.59148	0.2
78.95898	4.9
82.95410	1.4
92.15025	0.2
93.40676	0.3
146.72205	0.3
152.99606	0.6
158.64737	0.3
165.51259	0.3
168.04311	1.0
171.13902	0.4
224.06961	0.6
241.21742	100.0
242.07961	1.7
242.22108	1.5
322.87732	0.3
466.29416	31.6
467.29822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52962	0.3
60.68944	0.3
78.95899	17.2
102.25149	0.4
114.39787	0.4
120.04488	0.5
152.99614	2.2
168.04333	3.2
198.81433	0.4
224.06873	7.3
224.08804	0.5
242.08044	1.6
255.23302	100.0
256.23599	1.7
279.23233	0.8
293.21213	0.8
480.30988	61.1
481.31363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69561	0.7
52.80622	0.8
53.13112	0.8
54.82951	0.8
55.29157	0.7
58.16426	0.9
59.61228	0.7
61.82542	0.7
64.34995	0.9
64.95915	0.8
67.37238	0.8
76.43062	0.8
78.95890	14.2
108.97523	0.8
110.53244	0.9
116.92839	1.0
152.99579	33.5
171.00624	1.3
173.54996	0.9
176.47781	1.1
183.55527	0.9
199.08635	1.0
227.03230	1.7
245.04320	1.2
255.23314	100.0
256.23633	1.4
313.77036	1.0
317.19403	1.1
320.78577	1.2
362.84546	1.0
483.27328	55.8
524.30981	1.1
541.23108	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	542.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52907	0.5
58.17268	0.5
60.54932	0.5
60.61512	0.5
61.98825	1.6
78.75062	0.6
78.95902	100.0
80.96509	0.8
80.97464	0.7
92.11749	0.8
96.96986	6.1
104.03551	1.0
116.92840	1.0
130.50412	0.7
130.55312	0.6
136.96208	1.2
144.96793	0.9
150.98033	2.4
152.99591	89.2
160.96172	0.8
174.97772	4.2
192.98845	5.4
205.98370	3.0
220.40308	0.8
262.01013	7.8
279.23285	6.8
280.02066	5.2
302.58121	0.7
455.21967	6.2
542.25085	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99597	7.4
59.01375	64.8
60.46395	7.5
60.68752	7.2
71.01383	39.2
76.10124	8.8
89.02435	47.1
92.11755	8.6
95.68224	8.2
100.79428	10.2
101.02431	17.2
119.03497	32.1
125.02408	19.8
139.04044	9.8
153.01872	15.6
157.29187	8.9
164.27557	8.1
222.35521	8.5
231.46817	10.3
317.07382	8.5
323.09900	85.1
507.17444	13.8
543.14917	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	543.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15285	0.1
50.47691	0.1
55.67751	0.1
56.24231	0.1
59.01391	100.0
61.42414	0.1
61.98846	0.1
92.11737	0.3
116.92857	1.4
164.36728	0.1
166.18816	0.2
207.02014	0.2
214.57487	0.2
529.23431	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07356	0.5
55.01886	1.2
57.03442	2.2
58.00603	1.0
59.01387	63.9
60.09441	0.5
61.98829	3.3
69.03439	0.7
71.01382	46.3
72.99289	3.4
73.02939	11.3
83.01366	3.5
85.02949	13.4
87.00875	3.9
89.02441	58.2
95.01376	3.8
97.02922	1.2
99.00850	1.1
101.02436	39.7
111.00834	0.6
113.02442	21.4
116.92829	0.6
119.03491	21.1
125.02422	2.7
126.90805	0.5
131.03488	4.1
137.17928	0.5
142.06621	3.7
143.03491	3.7
143.04463	0.6
149.04544	0.9
160.07666	3.8
161.04562	8.0
179.05618	10.8
214.65953	0.6
221.06653	6.5
239.92480	0.6
281.37546	0.6
322.12994	26.0
366.04382	0.7
412.38571	0.6
484.18277	100.0
485.18680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	0.6
70.97400	0.3
72.29004	0.3
73.93425	0.3
74.01765	0.2
78.95900	17.1
92.11713	0.6
109.62213	0.3
141.26802	0.3
152.99556	2.6
155.42163	0.3
168.04320	3.0
224.06937	7.8
242.07930	1.5
242.10294	0.3
269.24869	100.0
270.22363	0.3
270.25174	2.1
326.83432	0.3
339.30493	0.3
494.32571	54.4
495.32877	1.6
523.50275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42698	1.2
51.17068	1.2
51.28544	1.1
54.32904	1.2
54.82912	1.4
58.00596	2.2
59.01385	65.8
67.41545	1.3
71.01380	52.3
72.00912	10.5
72.99323	1.5
73.02929	3.6
74.02460	13.2
76.58134	1.4
79.56621	1.3
83.01383	3.7
84.79755	1.3
85.02946	9.9
86.03355	1.4
86.97940	1.3
87.00871	1.9
89.02444	65.7
95.01357	1.9
97.02953	2.5
101.02431	33.9
112.14343	1.6
113.02443	23.0
114.51627	1.7
116.05056	45.6
116.92852	3.5
119.03490	23.4
131.03532	2.6
142.06647	15.3
143.03488	3.6
149.04543	2.4
153.01862	1.7
159.09268	8.9
161.04562	17.3
170.71700	1.5
179.05609	27.4
179.07037	3.7
203.08298	74.1
204.08572	2.0
219.35077	1.7
221.06691	9.9
251.28148	1.6
257.50635	1.6
341.10913	100.0
470.58698	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	545.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
57.03449	12.7
59.01385	35.5
61.98816	1.9
69.03457	1.4
70.06574	1.3
71.01375	39.4
72.99297	13.1
73.02932	9.2
73.94761	1.3
75.00857	33.3
82.88844	1.4
83.01366	6.9
85.02457	2.4
85.02937	49.4
87.00854	14.3
88.22044	1.4
89.02406	9.7
92.66281	1.6
93.03445	2.2
95.01358	6.3
97.02907	3.2
99.00865	11.9
101.02404	8.1
103.00359	2.5
113.02425	46.2
113.03155	2.9
115.00348	2.6
116.73883	1.5
116.92820	6.5
117.01906	2.6
123.91045	1.5
129.01955	1.8
131.03484	7.5
137.02396	7.0
137.09711	5.7
173.04485	3.1
175.02432	3.7
179.03691	2.1
193.03505	21.1
235.04604	15.1
239.05818	1.8
337.07803	8.7
355.08704	2.6
414.09250	1.6
545.22406	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	545.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72736	0.6
55.01885	1.4
55.40466	0.6
57.03434	1.6
59.01381	100.0
71.01378	15.2
73.02930	4.6
83.01386	3.4
85.02947	8.3
87.00889	0.8
89.02430	1.8
95.01330	1.4
96.95965	1.2
99.00836	1.2
101.02429	8.3
113.02434	7.3
137.09720	3.6
161.04526	4.1
173.44398	0.8
291.49649	0.8
308.75348	0.8
357.22888	0.9
369.22980	1.1
467.29953	1.6
485.31110	24.6
503.32263	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	545.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	58.2
63.51907	0.2
69.44872	0.2
71.01376	1.0
89.01977	0.3
89.02431	2.1
113.02448	0.2
131.03481	0.5
149.04550	0.4
223.08208	3.3
279.23294	100.0
280.23679	1.9
323.50534	0.3
435.96341	0.2
459.60074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95517	0.2
59.01368	1.4
61.98843	0.2
68.43479	0.2
71.27476	0.2
78.95899	17.8
92.12286	0.5
97.06575	0.9
99.08137	5.7
113.09709	0.3
145.16528	0.2
152.99615	2.6
153.12805	0.3
154.34320	0.2
155.14412	5.3
158.08174	0.3
162.68456	0.3
168.04300	4.1
224.06940	7.2
225.22232	8.0
235.20688	1.0
242.07956	2.1
253.21661	1.3
269.21204	1.9
271.22797	100.0
272.23102	3.3
356.39197	0.2
496.30505	63.4
497.30762	2.3
546.29688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99433	0.7
55.77739	1.0
58.97565	0.9
69.04234	0.9
71.01348	1.9
78.95896	94.9
81.39809	1.1
86.62376	1.1
86.74831	1.0
87.46123	0.9
99.92576	32.0
110.98527	17.4
113.10301	1.2
115.92066	29.5
116.92848	19.4
151.01672	1.2
155.95230	2.4
164.99579	5.6
167.01128	8.3
177.91159	1.3
178.88382	4.6
179.87648	1.3
179.89215	36.4
180.89990	19.8
181.90808	9.5
193.90764	47.7
194.87970	1.2
194.91551	14.9
195.92342	1.8
196.89488	100.0
210.91064	4.0
231.27858	1.2
237.73668	1.1
248.92703	1.5
249.93456	5.9
250.93987	1.8
266.93649	4.4
279.23312	10.2
353.54480	1.0
354.96280	1.1
358.67303	1.0
379.15765	1.7
383.46637	1.0
427.26346	1.0
435.18439	1.6
458.10519	1.2
529.16724	13.6
543.14661	10.1
547.17792	89.2
548.17432	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	548.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72460	0.6
59.01369	2.6
61.55577	0.6
61.98832	100.0
65.93444	0.5
75.00867	10.9
78.95898	6.5
83.61635	0.6
86.59659	0.6
96.95977	0.8
99.92554	1.5
115.92036	0.8
116.92823	3.4
140.91051	0.6
179.89218	3.0
180.89967	0.8
181.92886	0.6
193.90736	2.8
196.89462	6.0
279.23270	0.9
280.23697	0.9
281.24268	1.4
282.25153	1.2
549.19360	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	549.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.3
69.76677	0.2
71.29997	0.2
75.36688	0.1
77.03963	1.9
78.95904	1.0
85.26574	0.1
87.00853	0.2
89.02463	1.3
99.04505	0.2
121.02948	100.0
122.03262	0.8
147.04494	0.3
155.14520	0.2
161.04541	0.2
165.01924	31.8
166.02295	0.2
168.04437	0.2
180.05779	1.1
181.06577	2.8
197.06068	2.9
203.43500	0.2
207.04523	0.8
207.08093	0.3
224.07106	0.2
224.68011	0.2
225.05611	1.1
225.22293	0.2
251.07092	0.2
253.91429	0.2
257.09750	1.1
271.22827	3.3
272.23215	1.3
313.07272	1.2
329.08429	0.3
351.04733	0.2
357.06204	0.3
369.77496	0.2
417.09900	1.5
496.30402	1.7
497.30960	1.6
498.30865	0.3
505.11569	1.6
549.10419	23.7
550.10773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	10.8
58.10409	0.5
59.01113	0.5
59.01380	11.8
61.98806	0.9
62.48542	0.5
71.01356	2.9
71.05018	0.8
72.99295	0.7
73.02914	1.2
75.00867	0.5
83.04997	2.4
85.02921	0.9
87.04501	1.3
89.02402	0.8
92.11704	0.9
96.95959	3.4
99.00835	0.8
99.04522	5.5
99.92570	35.6
100.93340	3.8
101.02420	2.4
114.94918	1.0
115.92062	39.4
116.92844	100.0
117.92821	2.4
117.93608	0.7
125.02432	0.9
126.55063	0.5
126.94876	0.9
141.93585	1.3
142.94397	0.6
158.93849	0.9
161.04504	1.3
171.94571	0.5
175.03979	3.8
179.07152	0.6
196.95421	0.8
244.97598	1.3
301.00653	0.6
307.06311	1.3
309.08102	1.3
311.05948	0.8
325.06985	0.6
328.50702	0.7
335.06100	0.6
336.06738	2.4
343.11783	2.8
352.06201	0.9
353.06802	2.8
387.23911	0.7
405.25076	0.9
469.11819	5.3
512.34894	0.8
513.10663	7.4
549.12762	38.5
549.29260	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	549.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57640	0.1
56.36916	0.2
59.01107	0.2
59.01384	4.4
61.98815	0.2
63.50705	0.1
71.01376	3.2
72.99306	0.2
73.02927	0.2
85.02949	0.9
89.02434	3.5
95.01401	0.3
97.02934	0.2
101.02437	2.5
112.53194	0.1
113.02430	1.5
117.52184	0.2
119.03475	2.2
122.03711	3.2
125.02447	1.7
131.03520	0.3
138.09673	0.1
143.03470	0.8
143.14044	0.2
150.03220	100.0
151.03661	0.3
153.09204	0.2
161.04561	0.6
165.05559	75.5
166.05882	0.7
179.05669	1.6
207.57286	0.2
221.06650	1.1
263.07663	0.4
270.76773	0.2
293.12698	0.2
305.84802	0.2
323.09882	5.7
415.54147	0.2
416.47717	0.2
537.83636	0.2
556.04224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59966	1.1
54.50197	1.1
56.08343	1.1
59.01388	66.1
69.37526	1.2
71.01383	31.2
72.99306	1.5
73.02960	1.5
78.95908	1.5
79.70515	1.1
80.50996	1.3
85.02953	5.8
86.11757	1.3
89.02438	42.1
96.96001	3.4
99.04491	2.2
101.02438	17.8
113.02437	16.3
116.05029	2.5
119.03471	17.4
142.06650	2.0
161.08165	13.2
203.08337	2.7
225.06458	2.6
267.06677	1.4
323.13535	100.0
345.11722	18.3
389.10535	1.7
549.20575	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	549.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47427	41.9
52.03546	39.5
61.98828	100.0
64.34485	55.9
68.14500	48.9
73.53135	44.6
74.39754	50.5
84.54552	46.6
101.86237	47.6
116.63704	47.0
119.80435	53.1
129.06949	60.2
184.43550	63.1
213.22292	52.6
431.96030	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2842
Annotation	Plukenetione C
Peak:m/z	Relative Intensity
51.56498	17.2
54.15261	20.8
59.01394	28.9
61.98834	25.6
64.32697	16.8
74.28254	21.3
78.95876	20.6
83.08578	19.2
162.85968	21.9
240.72012	21.2
270.92404	20.2
277.21704	100.0
428.06076	24.3
510.87213	22.7
549.28436	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96183	1.5
54.73037	1.4
54.93863	1.5
59.01383	23.9
61.98818	3.8
65.96902	1.5
71.01388	14.0
72.98923	3.2
72.99306	68.3
85.02933	2.5
87.00913	2.0
89.02430	12.2
101.02439	14.1
113.02452	3.4
116.92818	2.2
119.03484	4.1
124.44166	1.8
137.01176	50.7
141.57625	1.6
152.03532	100.0
153.03932	2.3
153.09210	2.2
161.04745	1.7
179.05603	10.9
300.04535	2.3
321.59308	1.9
362.16034	2.4
362.95059	1.9
425.82309	2.4
444.57370	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	550.316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	1.6
59.01387	28.7
61.98821	6.0
65.45933	1.1
78.91753	1.2
78.95901	22.7
102.36118	1.1
119.62473	1.2
125.28635	1.3
152.99553	2.1
168.04387	1.7
209.32152	1.3
224.06979	5.6
251.20181	100.0
252.20528	1.4
351.24060	1.2
476.27856	55.0
515.22955	1.3
558.06226	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	551.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94787	0.4
51.71510	0.4
54.44065	0.4
55.01878	2.3
57.03189	0.8
57.03456	17.0
58.00600	0.7
58.54734	0.5
59.01385	15.2
60.04049	0.4
61.30059	0.4
68.99829	1.0
71.01379	19.8
72.99319	4.6
73.02937	0.6
74.46789	0.5
75.00877	5.2
75.94904	0.5
77.25607	0.4
78.95889	0.7
80.91292	0.5
83.01386	2.8
84.02201	3.7
85.02950	100.0
87.00869	9.6
89.02433	10.3
92.11655	1.5
96.96979	0.9
97.02942	0.5
99.00883	2.0
101.02419	2.0
103.00359	1.3
107.43085	0.5
111.00891	6.0
112.43360	0.6
115.00381	3.6
129.01945	18.2
133.01427	12.8
147.02983	3.0
159.03047	2.2
162.01613	0.6
173.00894	1.1
191.01988	31.9
196.58084	0.6
209.03064	93.8
209.06651	61.2
209.08678	1.4
257.39926	0.6
325.69101	0.6
404.96573	0.6
505.16644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03461	0.7
58.00589	2.6
59.01387	100.0
69.03458	7.6
71.01382	51.6
72.99311	4.9
73.02943	20.8
78.67202	0.6
81.03444	4.7
83.01390	5.7
83.05019	0.6
85.02950	20.5
87.00870	3.9
89.02441	19.6
92.90398	0.6
95.01391	1.1
95.80201	0.6
97.02934	10.6
99.00868	2.8
101.02435	27.4
101.06077	2.6
103.04001	23.3
113.02449	4.2
115.03971	0.9
119.03496	12.2
121.02896	0.8
125.01545	1.3
125.02435	33.8
127.03989	3.4
137.99596	1.4
143.03467	4.7
145.05075	4.0
153.01932	47.4
163.04726	0.9
163.06107	23.6
168.04271	31.6
183.06615	6.2
205.07214	1.1
209.45752	0.7
227.14174	0.8
229.96104	0.8
247.08257	8.6
289.09521	0.9
307.10352	31.6
326.15103	0.7
333.20145	0.6
351.13068	2.6
364.48962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36558	0.3
55.01893	1.8
57.03456	1.6
59.01390	19.4
61.98842	0.8
68.15572	0.4
69.03450	0.5
71.01389	20.6
72.99302	0.4
73.02946	6.6
75.30611	0.5
79.19602	0.3
83.01394	2.0
85.02959	11.6
86.00109	0.4
87.00874	4.3
87.04517	1.6
89.02429	3.1
92.66296	0.4
95.01362	0.8
97.02950	0.8
99.00874	1.7
101.02441	11.2
103.04016	1.6
110.00086	0.6
113.02454	10.6
115.04008	1.0
119.03520	0.5
121.02943	6.2
125.02431	2.2
131.03502	2.2
134.03731	6.7
137.02419	0.8
137.99597	2.2
143.03514	3.6
145.08669	0.4
149.02426	1.9
149.06104	1.7
150.03215	4.6
153.01933	86.3
154.02220	0.7
159.02988	1.6
161.04550	11.7
165.01929	3.1
165.05563	3.5
168.04268	100.0
169.04578	0.9
178.02654	3.4
183.06613	45.5
193.05069	10.4
195.06609	1.8
205.07098	3.1
235.65753	0.4
267.08630	0.5
282.09027	0.7
307.10446	0.5
341.10239	2.4
345.11954	7.7
380.86819	0.4
389.12170	1.7
406.94916	0.5
422.62012	0.4
491.17722	47.2
492.18018	0.7
515.33130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	68.4
62.97349	43.1
66.32885	60.2
66.92318	43.6
68.22639	45.8
68.72662	47.9
70.98689	60.2
80.12285	51.8
88.77712	50.6
103.15362	57.8
104.30342	51.6
122.86192	75.2
272.22302	53.9
279.23257	89.9
300.87207	53.3
551.29590	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	551.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83213	14.1
58.95907	18.4
60.45952	16.0
60.78414	17.0
63.82399	17.2
75.72862	19.2
80.12572	17.9
110.92896	25.3
112.94617	27.7
138.16432	19.0
162.50496	17.7
206.23537	21.1
278.88330	21.8
279.23254	100.0
290.90216	19.7
342.28769	24.2
346.03238	24.5
381.83356	20.9
419.97125	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	551.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	4.5
64.32128	3.6
69.84663	4.0
70.02950	4.2
71.05020	7.6
73.22065	3.6
73.81330	3.0
77.38711	4.0
77.89552	3.1
99.04530	4.7
116.92927	3.6
119.40563	3.5
130.03291	6.1
142.28694	4.3
146.08226	63.6
217.11943	22.3
255.23312	15.8
277.12280	100.0
358.64807	3.8
515.35516	7.3
551.33197	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48321	0.1
54.14997	0.1
54.43526	0.1
55.01870	0.2
57.03436	0.2
59.01385	17.4
61.52696	0.1
61.98834	0.3
68.46758	0.1
71.01375	2.6
72.99305	0.2
73.02946	0.8
76.57864	0.1
78.95893	0.6
83.01365	0.3
85.02947	0.8
87.00867	0.5
89.02437	2.2
99.00924	0.2
101.02437	2.4
113.02452	1.3
119.03475	0.7
143.03468	0.1
152.99663	0.1
157.05072	0.2
161.04526	0.9
173.20319	0.2
221.93433	0.1
235.08247	1.7
253.09303	9.2
255.23306	100.0
256.23700	1.0
269.24771	1.0
385.39597	0.2
458.32471	0.1
491.32431	0.7
494.32834	0.6
539.53473	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92564	0.3
52.97826	0.3
59.01386	0.7
61.98838	100.0
66.77287	0.3
89.02450	0.4
97.07455	0.4
109.40423	0.5
117.67699	0.4
138.05663	0.4
150.03229	3.0
151.03604	1.5
152.03722	0.6
165.05630	1.9
166.05963	1.5
170.47377	0.5
180.13173	0.4
508.82410	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	6.4
62.96404	0.8
78.95892	100.0
92.12337	0.6
96.96033	4.0
96.96953	4.7
98.95573	1.0
99.92569	15.7
100.93329	0.8
108.47782	0.4
108.92036	0.5
114.94910	6.0
115.92057	16.9
116.92831	4.6
119.98512	0.8
122.00117	0.5
134.98518	1.0
137.00098	0.5
137.99596	2.0
140.01189	0.7
141.95993	12.0
150.98024	3.0
152.99573	53.7
157.15439	0.5
163.89700	0.9
171.00670	1.0
178.88438	2.4
179.89194	21.5
180.89954	9.3
181.90741	8.2
192.00703	1.1
194.02216	1.9
196.89479	40.3
204.92329	2.4
205.90810	0.7
205.93185	2.9
215.35301	0.5
219.92372	0.9
222.93411	3.1
223.94223	0.9
235.91846	6.7
236.92589	1.9
253.50923	0.5
255.23293	29.5
256.23535	0.9
277.95309	1.9
409.23648	6.3
411.18335	2.2
435.12634	1.0
450.26337	1.0
473.74081	0.5
475.15576	3.6
491.15207	0.7
492.15738	5.5
509.16193	1.1
516.18176	11.0
534.19385	7.0
552.20392	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	1.3
61.98816	1.0
71.01388	0.2
76.57237	0.2
78.95895	7.6
127.07600	0.2
129.69447	0.2
136.14673	0.2
137.83202	0.2
151.33781	0.2
152.99568	1.3
168.04315	1.8
224.06966	0.8
233.22838	0.4
242.08040	2.8
259.20737	0.7
275.20184	0.4
277.21719	100.0
278.22031	2.0
326.15155	0.2
502.29443	39.5
503.29681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48371	0.2
59.01389	1.8
61.98817	1.1
64.28547	0.2
68.28674	0.2
68.56702	0.2
78.95901	28.5
92.69276	0.2
96.96945	0.3
108.70000	0.2
116.74235	0.2
152.99585	4.6
168.04309	5.0
194.05901	0.2
224.06926	12.0
233.22755	0.2
242.07976	2.8
253.21687	1.3
275.20154	0.4
277.21719	100.0
278.22018	1.7
298.73050	0.2
432.25845	0.3
502.29456	71.1
503.29648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27186	0.2
58.80479	0.2
59.01384	19.5
61.98817	1.3
78.95897	6.9
83.05020	0.9
116.92883	0.4
129.40222	0.2
147.52884	0.2
148.70770	0.2
152.99590	1.9
168.04324	1.6
224.06917	1.0
235.20686	0.9
242.07997	2.0
253.21738	100.0
254.22037	2.2
277.21753	1.3
464.70752	0.2
478.29434	26.3
479.29562	0.5
502.29425	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	552.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	22.2
60.16819	0.1
61.98824	0.3
66.43146	0.2
78.95907	17.9
79.17778	0.2
86.73540	0.1
88.53447	0.2
93.84672	0.2
96.96953	0.4
122.98515	0.3
134.98573	0.3
152.99574	3.3
168.04320	3.1
194.05846	0.2
196.58942	0.2
202.31047	0.1
203.27707	0.1
224.06938	7.9
242.07985	1.6
253.21733	100.0
254.22060	2.4
278.67831	0.2
316.31662	0.2
464.69708	0.2
478.29413	52.6
479.29666	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83015	0.3
56.50499	0.3
59.01387	24.4
68.26388	0.2
75.57291	0.3
75.60727	0.3
78.95905	21.9
83.05021	1.6
87.07239	0.3
103.65887	0.3
152.99603	3.4
168.04291	3.8
187.24167	0.3
192.11833	0.3
224.06961	8.5
235.20644	0.6
242.08009	2.1
253.21745	100.0
254.22113	2.9
468.28198	0.3
478.29437	52.2
479.29752	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	552.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21275	0.4
59.01385	22.3
61.98826	3.4
76.57806	0.5
78.95895	20.7
85.43475	0.5
116.92828	0.8
139.14331	0.5
143.59744	0.4
152.99530	3.5
168.04295	2.8
224.06909	8.6
235.20676	2.3
242.07962	1.9
253.21727	100.0
254.22052	2.7
279.23083	0.6
282.66925	0.5
354.26685	0.5
358.47095	0.6
478.29425	58.2
479.29865	2.9
555.79663	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
59.01384	11.8
61.98820	0.6
62.00853	0.2
62.99911	0.2
71.01379	8.0
72.99297	0.4
73.02939	0.3
81.16968	0.3
83.01409	0.4
85.02933	0.6
87.00862	0.3
89.02439	12.7
95.01375	0.6
96.96049	0.3
101.02431	4.6
113.02436	3.7
117.03462	0.3
119.03493	4.3
123.00826	0.4
127.08877	0.3
131.03502	0.3
132.02161	11.3
134.03734	8.4
143.03482	0.4
145.02910	0.3
149.04581	0.4
149.06058	1.2
160.01651	75.9
161.02010	0.5
161.04552	1.2
170.22534	0.3
175.03993	100.0
176.04431	0.4
178.02780	0.4
179.05655	2.1
193.05067	9.8
227.53372	0.3
234.16341	0.3
249.06117	0.3
337.09323	1.6
341.10901	2.3
356.15009	0.3
517.15674	55.8
518.16010	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38618	1.0
57.03454	1.9
57.12060	0.9
59.01378	20.3
61.98833	2.4
71.01370	9.5
73.02934	1.4
75.00856	1.7
75.36108	1.1
83.01352	1.1
85.02943	4.5
87.00854	1.8
89.02416	9.0
93.03464	1.4
96.95979	2.1
99.04517	1.4
100.84467	1.1
101.02412	7.8
101.88953	1.1
113.02427	5.3
119.03481	2.0
121.02910	13.0
132.02097	1.2
134.03729	21.2
137.02451	1.3
149.06088	4.4
158.07407	1.1
160.01656	19.7
161.02280	1.4
161.88980	1.0
162.41302	1.2
165.74248	1.1
167.03569	1.1
175.03990	25.2
175.05196	5.1
176.04619	1.1
178.02689	1.9
187.05045	5.0
191.07202	1.8
193.05042	22.1
199.04959	2.7
202.07312	13.9
214.07304	11.5
223.04964	13.6
224.05838	12.6
238.07387	42.9
239.07217	1.6
248.82330	1.4
249.06052	2.0
253.08420	8.4
266.06921	5.2
281.08005	2.3
282.06342	21.1
283.07074	14.2
294.05118	4.9
298.09451	100.0
299.09756	1.3
327.51440	1.3
341.06271	2.1
341.10068	33.0
371.09677	7.7
373.12741	26.4
409.17490	1.4
470.30707	1.3
517.15680	31.4
518.16058	1.8
553.19055	63.2
554.19196	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	36.6
61.98831	50.1
64.69936	6.0
71.01398	8.4
80.48055	5.7
118.89751	6.8
138.86151	6.4
253.09276	15.0
255.23306	100.0
256.23633	86.2
257.23972	47.5
281.24725	12.3
335.76660	7.0
420.33859	7.7
466.86877	9.1
572.70917	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	553.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83147	25.5
58.95690	21.3
64.34869	26.0
71.22886	24.8
73.56868	25.4
80.02948	24.9
87.03405	27.8
87.38081	25.3
108.19065	26.4
110.04149	28.0
139.14427	25.0
149.62267	23.8
229.34679	30.3
276.24008	28.8
281.24832	100.0
492.57132	27.7
535.12701	33.4
571.06702	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65270	0.9
54.14284	1.0
54.79410	1.0
57.03452	82.7
59.01106	1.6
59.01381	36.4
60.28155	1.1
60.38034	1.0
61.98819	1.6
71.01360	8.1
71.05009	1.6
73.02547	1.2
73.02941	25.8
83.05003	1.2
85.02941	11.8
85.06544	1.6
85.54887	1.3
87.04047	1.2
87.04482	11.7
89.02442	1.5
92.12302	1.8
98.26625	1.0
99.04511	49.7
99.08143	1.2
99.81872	1.2
101.02436	18.3
110.02399	1.1
110.58446	1.1
111.08086	1.6
115.07592	1.2
116.92835	15.6
119.58041	1.2
121.40365	1.1
123.08141	2.8
125.02412	7.2
125.09647	1.9
127.07599	2.0
129.09207	6.4
137.09689	10.3
139.07582	1.6
141.09236	1.8
142.70908	1.3
143.10789	2.3
149.09711	1.6
153.09187	4.9
159.10214	5.0
161.04539	27.7
169.12279	2.0
173.11815	7.3
176.47450	1.3
187.13379	6.4
202.89175	1.4
217.14429	34.2
237.88570	1.2
245.17621	2.5
287.22339	6.8
290.72867	1.1
303.21893	9.4
321.70773	1.2
329.23160	2.8
335.12482	1.3
347.24371	7.5
357.53134	1.7
391.27060	59.9
409.28094	97.2
410.28162	2.3
468.62262	1.4
553.32306	100.0
554.32617	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	554.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.2
61.98835	100.0
62.93614	0.1
62.98523	0.1
66.55098	0.1
71.01382	0.7
73.02926	0.1
89.02451	0.3
101.02454	0.3
103.04060	0.2
122.02513	0.6
125.02510	0.2
136.68231	0.2
153.01994	0.2
162.64642	0.1
172.26968	0.1
229.78433	0.1
315.89255	0.2
397.73306	0.2
554.16705	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.1
59.01384	1.3
60.01707	0.1
61.98832	100.0
71.01389	0.7
72.08437	0.1
73.02917	0.1
85.02953	0.2
86.69918	0.1
87.00883	0.2
89.02452	0.2
97.02956	0.2
101.02460	0.2
122.02522	0.2
125.02459	0.3
126.02722	0.1
153.01994	0.5
163.06169	0.1
169.04593	0.2
171.13843	0.1
201.00037	0.1
376.40207	0.1
440.63516	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34381	0.2
57.79216	0.2
58.58524	0.2
59.01371	0.3
64.43724	0.2
78.95894	5.6
93.73323	0.2
135.13934	0.2
152.99570	1.1
162.45554	0.2
168.04274	1.6
185.86682	0.2
221.34850	0.2
224.06886	1.1
242.07993	2.4
261.22238	0.5
279.23291	100.0
280.23578	1.6
340.68069	0.2
504.31003	33.7
505.31299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21021	0.2
54.82607	0.2
59.01383	0.4
64.04801	0.2
71.01378	0.4
78.95906	20.8
79.95731	0.3
80.96513	2.7
94.09815	0.2
94.98065	0.6
95.37901	0.2
122.98492	0.3
129.09692	0.2
141.32224	0.3
148.99141	0.2
152.99585	3.8
164.98639	0.5
168.04318	3.9
224.06949	8.9
242.07922	1.7
261.22174	0.3
279.23291	100.0
280.23669	3.5
381.69287	0.2
504.31000	56.7
505.31339	2.6
555.28357	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	554.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95323	0.3
56.29525	0.3
59.01385	2.4
61.98831	100.0
71.51333	0.4
72.96499	0.4
75.61689	0.4
78.95885	4.1
79.70638	0.4
116.92787	0.4
122.79485	0.4
130.91467	0.4
152.99635	0.7
224.07056	0.8
255.23317	10.6
255.25798	0.5
256.23654	2.8
257.23862	1.6
269.24841	13.1
279.23355	0.8
289.88846	0.4
480.31091	3.6
494.32501	7.4
570.05219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59724	0.1
59.01382	1.6
61.98833	100.0
78.95909	0.2
79.62467	0.1
84.40184	0.1
108.55289	0.1
156.59682	0.1
170.05296	0.1
175.75212	0.1
253.09459	0.1
254.09891	0.2
255.09760	0.1
255.23318	4.0
255.25838	0.2
256.23682	3.9
257.23904	2.1
258.24359	0.4
269.72635	0.1
286.68475	0.1
422.79807	0.1
480.30991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29171	0.1
56.02664	0.1
59.01385	15.4
61.18971	0.1
61.92907	0.1
63.36855	0.1
78.95904	4.6
79.95757	0.1
80.96503	1.2
87.11598	0.1
92.11702	0.2
111.98228	0.1
128.21609	0.1
151.26987	0.2
152.99622	1.3
155.26399	0.1
168.04266	1.1
224.06956	0.7
225.00732	0.2
237.22012	0.1
242.07993	2.1
255.23306	100.0
256.23645	3.0
263.43271	0.1
267.11121	0.2
335.74405	0.1
347.12546	0.2
438.61722	0.1
480.30978	28.4
481.31357	1.3
555.28394	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	554.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42966	0.2
59.01385	17.3
59.41111	0.2
67.01943	0.2
78.95900	14.0
79.20658	0.2
80.10688	0.2
84.11092	0.2
84.77312	0.3
92.12265	0.3
144.46461	0.3
152.99583	3.1
168.04329	2.6
192.93065	0.3
224.06934	7.9
242.07993	1.7
255.23302	100.0
256.23688	3.7
286.08386	0.3
389.25113	0.3
480.30991	57.9
481.31393	2.5
510.54565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2845
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
55.26699	0.4
57.03457	0.5
57.64573	0.4
59.01378	1.6
59.64154	0.3
63.96223	0.8
68.21578	0.4
69.03439	0.5
70.88901	0.4
71.01378	8.2
73.02945	1.8
78.95872	0.7
78.98588	6.9
79.95734	11.5
80.96513	77.8
81.03469	0.6
85.02952	4.1
87.00874	4.2
94.98074	18.2
96.96008	0.5
97.02935	0.9
99.00883	0.5
99.02158	0.4
101.02428	2.3
101.59829	0.4
106.98085	5.5
122.97553	3.6
125.02447	3.8
127.04017	0.7
134.97560	6.2
136.99127	1.0
148.99126	7.1
152.98636	8.2
164.98625	14.0
167.00008	0.4
171.14816	0.5
206.99710	2.5
224.98540	0.9
225.00749	17.9
225.02905	0.9
255.23291	3.4
272.71381	0.5
272.79709	0.5
279.23270	0.9
280.23685	2.0
299.04401	4.0
505.31403	2.0
555.28461	100.0
556.29095	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	555.2843
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
54.82637	0.5
57.03438	0.4
59.01379	1.3
61.98822	0.6
63.96238	0.9
71.01105	0.4
71.01385	7.7
71.57882	0.5
73.02934	1.0
78.95883	2.4
78.98583	6.5
79.95734	11.0
80.96514	73.6
85.02935	3.8
87.00868	2.8
92.11635	0.9
94.98077	18.0
96.95995	0.7
97.02930	1.3
101.02420	2.3
106.98074	3.5
113.02409	0.5
115.62328	0.5
122.97566	3.9
125.02435	3.5
127.03956	0.8
134.97600	5.8
136.99133	2.3
148.99162	5.4
152.98631	6.5
164.98619	11.6
165.24187	0.6
206.99683	2.5
225.00768	15.7
255.23236	3.2
279.23212	4.8
280.23651	5.6
299.04498	3.4
325.02502	0.6
504.31201	1.0
505.31360	3.2
555.28485	100.0
556.28784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2845
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01382	0.9
63.92181	0.3
63.96247	0.6
64.34520	0.4
69.03445	0.5
71.01376	9.2
73.02942	1.6
78.98589	7.5
79.95728	11.5
80.96508	79.1
81.03475	0.4
83.01377	0.4
85.02936	3.9
87.00865	4.2
94.98074	19.8
96.96015	0.8
97.02946	1.4
99.00871	0.5
101.02423	2.4
105.75431	0.4
106.98061	4.1
107.70728	0.4
120.99569	0.4
122.97575	4.4
125.02416	2.6
127.03977	0.6
134.97554	7.1
136.99129	1.7
148.99124	8.2
152.98615	7.9
164.98607	13.5
167.00182	0.7
177.63982	0.4
178.09291	0.4
194.32149	0.4
206.99719	1.8
225.00728	18.9
249.10651	0.4
255.23344	5.6
256.23587	0.6
299.04388	4.3
492.70737	0.5
555.28455	100.0
556.28638	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	555.3304
Annotation	Globostellatic acid C
Peak:m/z	Relative Intensity
54.82970	0.6
59.01384	1.2
62.53501	0.6
64.35010	0.6
69.03484	0.7
74.30535	0.6
78.87554	0.5
100.89079	0.6
106.04229	0.8
107.05026	18.2
109.06591	85.1
110.06901	0.6
112.51802	0.7
121.02979	4.8
123.04520	4.7
151.04024	1.0
151.90433	0.8
163.03728	0.8
168.65588	0.7
173.02174	2.7
191.03287	14.8
193.04852	3.8
205.01208	3.1
216.49808	0.8
231.07115	0.8
235.02234	2.9
237.03940	1.5
253.35973	0.7
255.23425	1.2
277.21753	1.0
319.26617	1.1
357.31723	1.4
381.31732	1.1
383.33182	3.9
399.32672	11.6
411.32605	3.5
427.32214	3.7
429.33682	2.8
451.31989	36.6
452.31970	1.0
459.22812	0.7
469.32541	1.0
473.33243	5.1
473.98419	0.7
495.30991	100.0
496.31436	3.3
513.31622	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42227	45.1
59.01383	52.7
61.98831	100.0
63.86380	43.9
74.00312	49.1
84.58819	55.3
104.93668	51.5
126.59280	62.9
183.36617	57.9
191.13487	59.6
300.58984	52.5
399.76215	64.9
459.31100	65.0
500.34622	61.9
555.33813	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41748	1.2
54.83659	1.5
59.00024	1.6
59.01382	3.4
59.90657	1.3
60.92456	1.3
61.98824	2.4
66.10793	1.3
68.36850	1.7
71.01373	1.9
79.80034	1.2
79.80623	1.4
90.00786	1.7
108.04560	3.5
112.04044	2.5
116.05041	11.8
116.92863	2.0
120.04539	100.0
121.70004	1.5
122.06145	3.1
123.03252	2.3
124.04027	3.4
132.04568	9.2
138.05612	23.7
150.05617	27.7
160.04053	41.9
164.07147	6.3
166.05057	1.5
168.06660	41.1
190.05125	17.2
192.06688	89.4
200.76912	1.5
211.09576	1.7
223.15494	1.6
255.11302	2.0
281.09354	2.6
323.10434	2.6
325.11954	2.9
335.07864	2.5
341.11423	22.6
353.11612	2.2
355.13040	14.1
373.14087	38.2
462.16599	5.6
480.17957	2.8
497.13428	8.0
506.15552	13.6
520.17395	2.4
524.16882	8.4
538.18292	7.1
556.19403	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	556.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20685	0.9
59.01376	1.2
60.29711	0.8
61.04210	0.8
61.98819	3.0
78.95901	35.2
90.73771	0.8
92.11739	1.9
93.51150	1.0
110.74329	0.9
116.92825	1.0
140.01187	9.6
152.99605	3.9
168.67921	0.9
196.03818	13.4
214.04903	1.2
238.92450	0.9
239.50999	1.0
275.09882	0.9
277.21738	100.0
414.34198	1.0
441.04910	1.0
449.90143	1.0
474.26306	69.4
503.47867	1.0
516.49445	1.0
567.33533	1.0
583.69812	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.2
55.08537	0.2
57.34007	0.2
59.01110	0.3
59.01389	8.5
66.49699	0.2
78.95904	20.3
83.01402	0.4
90.20161	0.2
92.80700	0.2
103.29206	0.2
116.57604	0.2
152.99565	3.1
157.05011	0.4
168.04292	3.2
175.06110	1.1
206.60994	0.2
224.06947	8.7
242.07988	2.0
255.23332	0.9
256.23694	0.7
279.23257	5.7
281.24847	100.0
282.25101	1.6
437.29309	1.1
448.67496	0.2
455.30136	3.6
482.31610	0.3
497.31079	0.3
506.32526	56.3
507.32990	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	556.318
Annotation	Unknow
Peak:m/z	Relative Intensity
73.42531	0.2
78.95896	21.4
90.30930	0.2
96.96960	0.4
152.99574	2.8
168.04291	3.7
224.04762	0.3
224.06950	8.7
224.72993	0.2
242.08083	1.8
281.24857	100.0
282.25140	2.6
506.32529	55.0
507.32568	1.8
524.57568	0.3
548.73499	0.3
574.37921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.1
57.03457	3.0
59.01386	100.0
59.44622	0.3
60.01716	0.4
61.72187	0.3
61.98830	1.7
65.23327	0.3
71.01347	0.6
73.02940	1.4
73.87589	0.4
78.95922	2.1
83.01384	12.6
89.02433	0.6
91.04018	2.6
93.81125	0.4
96.68134	0.4
101.02431	4.2
112.68514	0.4
116.92882	0.9
127.29697	0.4
133.04108	0.4
157.05055	5.8
174.36859	0.4
175.06105	14.5
193.07140	3.3
202.11057	0.5
255.23271	3.3
256.23578	4.3
257.24008	2.5
263.40604	0.4
279.23270	63.4
280.23819	0.9
281.24881	3.0
437.29132	7.6
455.30167	42.4
456.31006	0.8
481.31567	1.5
482.31073	2.9
497.31259	5.8
506.32761	0.6
579.51880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	9.1
59.01382	18.9
71.01389	23.1
71.01734	2.5
73.02940	4.5
80.66174	1.7
85.02953	12.0
89.02433	12.8
96.96023	2.1
101.02429	22.3
113.02460	8.1
119.03516	2.6
121.02936	2.1
123.04459	2.0
143.03488	2.7
153.05525	2.2
161.04549	7.7
161.40428	1.9
182.05898	3.2
197.04552	8.1
197.08235	17.9
225.00800	3.1
231.61121	1.8
246.06528	2.1
251.11313	3.7
359.13629	10.6
413.16617	7.7
521.18884	100.0
557.20911	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2094
Annotation	Trigilletimine
Peak:m/z	Relative Intensity
55.01873	2.6
57.03453	49.7
59.01102	3.7
59.01384	69.0
59.68353	1.8
60.68736	2.2
61.68183	1.7
71.01379	59.3
73.02933	17.3
74.20644	2.1
75.00862	18.7
76.66646	1.9
77.82723	1.9
83.01352	11.5
85.02947	35.6
85.84076	1.8
87.00851	3.2
87.04491	3.1
89.02442	26.3
89.06059	11.4
95.01371	3.5
97.52487	2.0
99.00859	3.4
99.04490	12.5
99.59193	2.5
100.42660	2.2
101.02428	83.6
112.98624	2.5
113.02447	28.3
119.03474	5.2
125.02435	23.7
135.04587	3.2
136.19872	2.2
136.62357	2.2
143.03526	4.3
147.06619	3.3
161.04564	32.3
167.99004	2.1
171.06415	2.6
175.37961	2.3
187.07094	2.2
219.74362	2.1
251.11380	46.5
267.36960	2.1
274.89114	2.3
330.33502	2.6
395.15698	15.5
413.16696	100.0
414.17087	3.0
455.17725	25.4
495.20770	3.8
557.20947	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2093
Annotation	Trigilletimine
Peak:m/z	Relative Intensity
50.11970	0.8
55.01875	2.8
57.03193	2.2
57.03455	49.7
59.01385	67.1
60.41710	1.1
61.98822	1.7
63.07110	0.9
67.69647	1.1
69.03465	1.7
71.01382	61.4
71.27151	1.0
73.02946	20.2
75.00864	22.7
75.35082	1.1
77.09460	1.0
78.85154	1.0
80.40996	1.1
83.01388	11.9
85.02461	2.1
85.02947	49.1
87.00858	4.7
87.04501	8.4
88.00405	1.3
89.02434	21.8
89.06094	9.8
94.98024	1.2
95.01375	2.3
97.02939	1.9
99.00854	5.4
99.04520	16.8
101.01762	2.4
101.02432	73.9
113.02453	27.5
115.03952	1.6
119.03521	8.6
124.01665	2.7
125.02449	20.0
143.03503	5.7
143.37175	1.3
147.06651	1.7
159.03011	4.8
161.04567	30.1
189.07954	1.3
190.67276	1.2
225.51653	1.4
233.10368	2.0
251.11368	44.3
286.44519	1.2
293.12363	2.1
372.48230	1.4
391.19995	1.2
395.15625	14.7
413.16681	100.0
455.17758	24.5
495.21057	9.3
557.20966	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86451	0.3
59.01393	10.5
59.01683	0.5
60.01723	0.5
61.01814	1.9
61.98840	100.0
66.37937	0.3
69.40459	0.3
70.85898	0.3
78.95889	3.9
80.96520	1.5
82.96109	0.6
134.54236	0.3
152.99652	1.5
168.04378	0.8
224.07144	0.5
242.08006	0.5
243.08257	0.4
244.08336	0.5
255.23303	29.7
256.23657	35.2
257.23941	22.9
258.24179	6.6
320.46915	0.3
352.88803	0.4
358.57861	0.3
480.31055	2.0
481.31320	4.0
482.31580	11.4
483.31894	9.7
557.28467	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	557.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44938	0.2
59.01384	9.3
60.01713	1.4
61.01805	1.5
61.28685	0.2
61.98832	100.0
75.09810	0.3
78.95893	8.4
79.00404	0.3
80.96322	1.7
92.12353	0.8
152.99638	1.4
168.04376	1.4
169.04672	0.3
224.07048	1.4
225.07416	1.1
226.07486	0.6
255.23303	17.0
256.23627	21.1
257.23932	14.4
257.26520	0.5
258.24188	5.6
260.27243	0.3
298.63672	0.3
467.44989	0.3
480.31061	2.5
481.31274	3.5
482.31555	10.7
482.38132	0.4
483.31845	11.7
557.32397	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89287	0.4
61.98823	1.0
62.60630	0.4
66.11192	0.4
76.04466	0.4
76.57431	0.4
78.95894	6.0
92.65479	0.4
114.62595	0.5
116.01938	0.4
121.61735	0.4
122.67440	0.5
140.01196	2.0
167.32056	0.4
191.87943	0.5
196.03760	0.9
204.79619	0.5
214.04912	2.1
279.23300	100.0
280.23581	2.9
308.69250	0.4
311.16785	0.8
378.50525	0.5
476.27896	28.3
477.28290	0.6
507.89240	0.5
534.98682	0.6
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
56.56506	0.6
58.53706	0.6
61.98836	2.6
72.50080	0.5
78.08713	0.6
78.95471	1.3
78.95898	23.1
82.96138	0.7
89.37069	0.6
89.65280	0.6
116.92878	2.7
122.00099	1.0
132.09549	0.7
140.01172	5.6
152.99600	2.8
180.47641	0.6
196.03828	9.3
214.04884	1.1
279.23306	100.0
373.24063	0.8
404.84253	0.7
472.70209	0.8
476.27859	54.1
477.27747	0.8
547.32916	0.8
558.28430	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	558.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	0.9
73.18113	0.4
76.10013	0.5
78.95898	100.0
89.46949	0.4
96.96956	8.6
105.71695	0.4
150.98062	0.5
152.99582	19.0
171.00633	23.6
402.24353	2.1
449.65021	0.5
457.30621	0.5
476.27869	58.1
477.28375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45655	0.6
54.82931	0.7
56.29690	0.6
56.30202	0.5
59.01379	3.1
66.54056	0.6
71.01360	1.2
73.59646	0.7
78.95901	9.6
84.44689	0.6
89.02423	1.3
90.37974	0.7
95.03734	0.6
101.02446	0.8
113.02440	1.0
128.97003	0.8
134.64366	0.7
152.99561	0.8
161.04459	0.8
224.06972	3.1
235.08092	0.8
253.09279	11.5
279.23282	100.0
280.23636	1.4
281.24854	40.6
281.27963	1.3
282.25168	4.0
283.25436	2.8
322.35522	0.7
401.24277	0.7
458.52377	0.7
506.32599	19.3
507.32877	0.9
508.33182	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	558.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56964	0.2
51.33803	0.2
57.00575	0.3
59.01389	6.3
61.98831	0.3
66.14539	0.3
74.81969	0.3
78.95906	5.5
80.93038	0.3
83.01377	0.4
92.12314	0.6
92.66002	0.3
116.92844	0.4
152.99580	0.5
168.04327	1.4
175.06136	0.5
224.07034	0.6
242.08035	1.7
281.24860	3.6
283.26428	100.0
284.26727	2.0
395.35754	0.4
436.17511	0.4
457.31674	2.2
499.32486	0.4
508.34061	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55106	0.2
59.01380	0.2
63.51625	0.2
68.49931	0.2
68.55096	0.2
69.62875	0.2
78.95900	18.5
92.12388	0.5
103.84281	0.2
122.92094	0.2
127.24745	0.2
129.84296	0.2
139.95706	0.2
152.99594	3.0
164.59338	0.2
168.04337	3.7
186.96193	0.2
211.23418	0.3
224.06955	7.9
224.09076	0.4
242.08057	1.1
249.71321	0.2
273.15491	0.3
283.26437	100.0
284.26810	1.0
296.31897	0.2
306.29056	0.2
397.13800	0.2
508.34085	52.5
509.34512	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	561.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
57.03456	5.7
59.01107	0.7
59.01387	16.9
69.03468	0.5
71.01383	22.1
72.99302	4.7
73.02930	3.7
75.00455	0.8
75.00871	19.7
83.01391	2.7
85.02947	29.9
87.00868	7.3
89.02441	6.4
95.01385	3.0
96.96041	0.8
96.96899	0.7
97.02958	1.0
99.00855	8.0
101.02435	6.2
111.00865	1.0
113.02443	26.7
115.00336	2.3
117.01917	2.4
119.03532	1.2
131.03484	0.9
136.87810	0.5
138.06900	0.9
138.27710	0.5
151.07646	0.7
152.08426	2.0
153.09212	3.8
157.20604	0.5
163.11319	0.7
173.04538	2.4
175.02527	1.1
175.03960	0.8
205.12334	6.6
290.39001	0.6
533.48816	0.6
561.21967	100.0
562.22443	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	561.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	100.0
59.01107	2.6
59.01385	63.0
80.38756	1.5
81.03466	1.8
83.01368	3.9
86.36014	1.8
92.11704	3.0
99.04509	56.5
101.02444	15.6
125.02415	2.9
143.65405	1.9
197.15526	2.5
240.06258	1.7
297.24396	1.7
314.99390	2.0
357.26440	7.9
501.30743	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73695	1.5
59.01395	2.7
69.31280	1.9
70.49568	1.9
73.32249	2.6
76.12508	1.9
78.95905	19.8
83.56041	1.7
84.13057	1.7
101.54469	2.0
117.87038	1.9
141.91980	2.4
152.99591	3.0
224.06880	7.8
265.21826	3.5
279.23300	100.0
279.26376	3.6
424.50317	2.4
477.67606	2.1
504.30975	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45386	1.0
54.58897	0.7
59.01372	1.2
73.04716	1.0
78.95893	5.0
87.94038	1.0
88.95876	1.0
137.89977	1.1
152.99532	1.2
199.88229	1.1
209.86166	1.1
242.08130	1.2
279.23288	100.0
280.23492	1.2
297.41061	1.2
426.05365	1.1
504.31076	42.1
561.32971	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	561.401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49926	1.3
68.69979	1.7
75.25826	1.5
141.87691	1.5
180.41478	2.1
193.56662	1.6
197.52769	2.2
206.52858	1.6
335.33200	35.1
381.33743	100.0
382.34131	2.3
547.98914	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	562.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88451	0.5
59.01384	0.9
61.98835	1.0
62.03589	0.5
65.42615	0.5
68.13823	0.5
78.95898	31.3
90.12218	0.6
104.30976	0.5
121.02932	9.5
138.92691	0.5
152.99590	5.1
168.04292	6.3
179.03539	3.5
224.06956	9.4
236.97087	0.6
242.08020	2.3
259.20520	0.6
275.20224	0.6
277.21729	100.0
308.64679	0.6
326.60657	0.6
398.96890	0.6
502.29443	82.2
503.30157	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84886	0.1
59.26424	0.1
61.98833	100.0
63.48537	0.2
64.92207	0.1
64.93121	0.2
65.86453	0.2
72.73250	0.1
76.22021	0.2
112.61661	0.2
244.01331	0.2
281.24866	0.3
308.35147	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19923	0.4
55.78103	0.5
58.21110	0.5
59.01404	0.4
62.66667	0.4
63.38432	0.4
71.01366	0.7
73.02927	0.5
79.01868	0.6
88.77048	0.4
91.05531	0.5
91.79645	0.5
93.03436	0.8
98.47361	0.4
117.03438	6.4
119.04990	1.8
121.02822	0.5
133.06609	0.5
135.04523	3.8
145.02940	0.6
149.02475	0.7
159.04523	0.8
161.02426	3.3
163.03984	2.7
175.03947	1.9
177.01826	0.7
177.05530	1.2
179.03418	0.6
189.01842	0.7
189.05394	0.5
191.03477	1.9
193.05110	0.5
201.01729	0.5
203.03499	2.2
205.05051	0.6
209.37888	0.6
217.04997	0.7
221.04666	0.5
224.08496	0.5
225.05464	0.6
233.04588	0.9
253.08734	0.6
267.06433	0.8
268.07446	1.0
269.04367	0.9
279.06656	0.5
281.04623	0.8
282.05258	3.5
283.05991	4.6
295.06042	6.9
296.06851	4.2
297.07666	26.8
307.06143	4.5
309.07693	3.3
311.05597	4.0
311.16684	0.5
322.04453	0.7
323.05447	5.3
324.06174	0.8
325.07196	11.9
328.05899	5.2
335.05670	2.6
337.07178	4.7
353.06665	43.8
355.08365	0.8
356.05533	0.8
365.06674	7.9
377.06921	0.7
379.08389	0.7
383.07718	41.5
395.07950	3.7
397.09225	0.7
407.07785	1.9
413.08810	5.7
425.08917	5.3
437.08582	0.6
443.09955	6.4
452.42004	0.6
455.09744	0.8
464.88760	0.5
473.10941	7.2
503.11749	3.4
514.41730	0.5
545.13196	2.1
563.14081	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	563.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95274	0.2
54.72689	0.2
54.90732	0.1
59.01380	0.4
65.44305	0.2
66.03240	0.2
71.01362	1.1
73.02921	0.2
79.01897	0.8
83.01385	0.3
89.77451	0.2
91.01878	0.2
91.05521	0.7
92.65459	0.2
93.03455	2.2
95.01376	0.3
99.51321	0.2
101.02439	0.3
103.05502	0.2
105.03442	0.2
107.01386	0.3
107.04976	0.2
109.02959	0.2
117.03452	7.3
119.05038	1.4
121.02937	0.3
121.16440	0.2
131.05009	0.8
133.02937	0.2
133.06598	0.7
135.04501	3.7
137.02380	0.4
145.02904	0.4
147.04520	1.3
148.01666	0.2
149.02455	1.5
149.06071	0.9
150.03236	0.2
158.03592	0.2
159.04471	1.4
161.02434	3.2
161.06111	0.8
162.03204	0.2
163.04004	2.6
165.05612	0.2
171.04498	0.3
173.02426	0.4
173.06107	0.8
174.35500	0.2
175.03984	2.9
176.04768	0.3
177.01958	1.3
177.05547	2.3
179.03497	1.0
180.44908	0.2
181.06682	0.2
185.02380	0.2
187.04033	0.3
189.01886	0.9
189.05574	1.2
191.03500	2.3
193.04997	0.4
197.06044	0.4
203.03519	2.4
205.01472	0.3
205.05045	0.9
207.03021	0.3
207.08221	0.3
209.06047	0.3
213.05562	0.2
215.03508	0.8
217.05054	0.4
221.04524	1.0
223.07620	0.3
224.08467	1.0
225.05669	0.4
225.09224	0.4
231.03043	0.2
233.04541	1.1
237.05594	0.5
238.06317	0.8
239.07158	0.4
241.05119	0.3
245.04503	0.4
251.07069	1.1
253.08716	0.9
265.04926	0.3
266.05792	0.3
267.06552	1.2
268.07550	1.4
269.04666	0.3
279.06744	0.4
281.04498	2.0
281.07626	0.3
282.05316	3.2
283.06146	5.8
293.04544	0.4
293.08066	0.7
294.05267	0.4
295.06137	9.2
296.06836	4.1
297.07684	29.4
298.08026	0.3
305.04733	0.3
306.05286	0.3
307.06085	3.2
308.06998	0.3
309.04349	0.3
309.07721	3.8
311.05579	5.4
314.04431	0.2
319.06219	0.4
321.04251	0.3
321.07736	0.4
322.04849	0.3
323.05646	6.4
323.09393	0.3
324.06369	1.0
325.07193	12.4
326.07703	0.3
328.05850	5.1
333.07867	0.3
335.05731	2.2
337.07242	6.1
341.06683	1.1
349.07217	0.9
351.05078	0.5
351.08978	0.3
353.06689	47.4
354.06952	1.1
355.08282	1.8
356.05344	1.4
365.06702	7.8
367.08185	0.8
377.06485	0.4
379.08206	0.8
381.05972	0.4
383.07739	34.2
384.08176	1.2
386.06833	0.3
395.03018	0.4
395.07730	4.1
395.12592	0.3
397.09454	0.8
407.07608	1.1
409.09494	0.3
413.08813	5.4
425.08664	2.9
437.08856	0.9
443.09830	9.3
455.09842	1.1
473.10907	7.6
473.17084	0.3
485.10956	0.4
503.11945	2.6
545.12946	1.7
563.14117	100.0
564.14307	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	563.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37012	0.4
52.41271	0.3
52.81551	0.4
55.89334	0.4
57.03443	0.5
59.01141	0.4
59.01381	6.1
59.23089	0.4
61.01747	0.5
71.01385	4.7
73.02921	0.8
83.01414	0.9
85.02942	1.2
86.39246	0.4
87.00827	0.6
89.02446	3.5
92.11704	0.8
93.03422	2.7
95.01360	1.0
96.95988	0.7
99.00858	0.5
100.28495	0.4
101.02428	2.3
109.02916	0.6
113.02445	2.3
117.03455	9.1
119.03548	0.5
119.05026	1.1
121.02918	0.5
125.42716	0.4
128.02483	0.5
133.06573	0.7
135.04517	4.1
147.04503	1.2
149.02425	2.6
149.06064	0.6
153.05548	0.8
154.02718	0.7
159.04509	1.2
159.06541	0.5
161.02460	5.5
162.03317	0.6
163.04012	3.2
169.06398	0.5
175.03983	3.6
177.01961	1.9
177.05553	3.0
179.03493	1.1
179.05574	0.6
187.03896	0.6
189.01877	1.1
189.05585	1.0
190.02733	0.5
191.03484	2.3
197.06183	0.8
201.05450	0.6
203.03471	3.8
205.01320	0.6
205.04971	0.6
221.04552	0.6
221.06494	1.7
224.08443	0.7
237.05598	0.6
238.06442	0.7
251.07170	1.0
253.08670	1.0
254.05714	0.5
260.97928	0.6
265.05069	0.6
267.06714	0.8
268.07397	1.8
279.06686	0.9
281.04605	2.0
282.05328	5.0
283.06113	7.0
295.06128	9.9
296.06860	4.2
297.07690	34.7
297.11078	1.2
298.08011	0.8
307.06015	3.6
309.07642	3.6
311.05579	6.2
323.05688	7.4
324.06229	0.6
325.07214	15.0
328.05893	6.2
335.05548	2.8
337.07233	4.3
341.06668	0.6
353.06680	49.1
354.07239	0.7
355.08307	2.2
356.05341	1.2
356.50851	0.6
365.06607	8.9
367.08212	0.8
383.07748	28.7
384.08087	0.9
395.07932	4.7
397.09341	0.7
407.07813	0.9
413.08707	4.4
419.07693	0.6
425.08832	2.4
443.09839	7.0
455.09543	0.8
473.10938	7.8
503.16113	2.9
563.14081	100.0
564.14288	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	563.141
Annotation	Isomollupentin 2'-O-glucoside
Peak:m/z	Relative Intensity
53.16664	0.5
54.82660	0.6
57.03444	0.6
59.01385	8.8
71.01384	6.7
71.18732	0.6
73.02934	0.7
85.02919	1.2
85.93907	0.6
89.02435	4.7
93.03425	3.1
94.12384	0.8
96.96009	0.7
101.02425	1.5
107.04993	0.7
113.02438	1.5
116.92860	4.7
117.03416	8.7
119.05015	0.7
120.50160	0.6
131.04994	0.8
135.04544	5.5
137.02480	0.8
142.98120	0.9
145.03108	0.7
146.88058	0.7
147.04514	1.1
149.02467	3.1
161.02472	4.9
161.04678	1.0
163.03966	3.4
169.10016	0.7
175.04025	2.8
177.01941	1.2
177.05606	2.4
179.03600	0.7
179.05637	1.6
185.02405	1.2
187.03906	0.9
189.01949	0.8
191.03477	3.8
203.03522	2.8
205.05252	0.7
221.04501	1.0
221.06613	0.9
233.04649	0.9
251.07220	1.0
253.08632	1.1
266.62323	0.7
267.06830	1.0
268.07428	1.5
280.96387	0.7
281.04523	1.3
282.05338	4.1
283.06064	6.9
293.04657	1.0
293.08060	0.7
295.06049	8.6
296.06927	3.4
297.04413	1.4
297.07642	26.9
307.06204	4.8
309.07629	4.8
311.05676	8.4
314.04373	1.2
323.05716	7.2
325.07111	11.5
328.05811	6.1
335.05710	4.5
337.07236	5.1
341.06821	0.7
351.04773	0.9
353.06680	42.9
355.08249	1.6
356.05243	1.3
365.06598	9.8
381.06021	1.1
383.07706	35.9
395.07672	4.1
407.07785	1.1
413.08871	6.4
425.08719	4.7
443.09830	10.4
458.43680	0.7
473.10864	3.5
503.11035	1.3
503.16876	3.1
563.14130	100.0
564.14392	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34512	0.4
57.03445	1.0
57.25052	0.4
58.00599	0.8
59.01386	70.3
60.02456	0.4
71.01380	49.5
72.99306	2.2
73.02940	6.1
81.62727	0.5
83.01393	2.6
85.02943	11.3
87.00874	13.0
89.02440	69.8
95.01388	2.9
97.02906	0.6
101.02437	37.0
111.00854	0.7
113.02441	25.4
119.03487	11.9
125.02435	2.3
129.01933	0.7
131.03488	4.3
143.03503	5.2
149.04541	1.2
161.04559	8.4
171.53603	0.5
179.03986	0.8
179.04262	0.6
179.05608	30.7
221.06682	39.5
221.28046	0.5
233.06567	0.7
281.08774	2.1
323.09888	5.6
334.76364	0.6
341.10986	4.9
406.51532	0.6
446.64926	0.7
503.16235	100.0
504.16592	0.9
557.66174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.8
67.01881	0.6
71.01373	2.7
72.00912	2.5
74.02465	4.5
85.02938	1.1
89.02439	2.5
95.01373	1.6
113.02446	1.2
116.05054	12.3
123.00873	37.4
130.06607	1.0
137.02577	0.8
138.03220	64.7
139.03561	0.7
142.06583	3.4
153.04416	1.2
153.05573	23.8
157.07713	2.8
159.09280	2.5
161.04665	0.7
165.98123	0.7
166.99855	13.8
179.05653	0.9
182.02196	56.3
186.21979	0.7
190.67480	0.6
197.04561	100.0
198.04984	1.1
203.08282	20.0
221.06718	0.8
227.95094	0.7
230.08467	6.9
257.10980	0.7
272.09229	1.0
272.11938	20.8
351.27902	0.6
359.09875	19.5
359.15167	22.8
434.21490	0.7
503.16132	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	563.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24473	1.0
50.97443	1.0
52.39537	1.1
54.82679	1.2
55.01882	3.1
57.03436	5.6
57.15216	1.1
59.01387	86.5
66.53500	1.2
71.01382	44.1
72.99290	1.4
73.02957	14.8
83.01385	5.8
85.02955	21.6
86.26453	1.3
89.02434	8.2
92.65379	1.3
95.01390	2.3
99.00879	2.5
101.01830	2.4
101.02435	31.4
111.00924	2.0
111.42728	1.2
112.70407	1.3
112.71198	1.4
113.02473	15.4
119.03461	1.6
129.59659	1.2
133.55487	1.3
137.09714	5.1
159.02989	3.2
161.04533	7.5
172.51208	1.5
207.01968	1.4
213.18657	2.5
222.04967	1.6
375.23947	2.2
382.74048	1.4
466.88660	1.5
485.31259	22.6
503.32324	100.0
504.32391	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40083	0.9
55.01884	2.3
57.03448	4.4
59.01389	100.0
63.37439	1.1
67.07430	1.1
68.17265	1.0
69.08697	1.1
71.01384	23.3
72.99292	1.3
73.02939	8.9
76.57930	1.0
82.96244	1.0
83.01384	4.5
85.02947	16.1
87.00852	1.2
89.02427	2.7
91.73961	0.9
92.12300	1.7
94.52763	1.1
95.01377	1.1
97.02940	1.2
99.00895	1.8
101.02429	11.6
111.00878	1.1
113.02435	13.6
119.03429	1.4
127.12696	1.1
137.09669	1.7
151.82175	1.3
161.04541	4.5
249.87727	1.2
273.22595	1.1
359.28137	2.3
503.32330	45.8
521.33307	27.4
563.34845	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	564.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62535	0.3
54.62475	0.3
59.01392	0.4
61.98817	0.4
71.43729	0.3
76.60882	0.3
78.95550	0.3
78.95908	6.5
117.26421	0.3
117.74278	0.3
152.99583	1.6
168.04297	1.9
176.37947	0.3
186.84096	0.3
191.39830	0.3
209.96265	0.3
214.62088	0.3
224.06963	0.5
242.07979	2.8
261.22272	0.5
279.23285	100.0
280.23605	1.6
316.17627	0.4
407.22046	0.4
504.31027	30.8
505.31299	0.5
508.48734	0.4
582.41748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99143	0.5
78.95898	22.0
91.76818	0.5
100.04369	0.5
123.59409	0.5
152.99591	3.7
153.38181	0.5
154.56377	0.5
168.04254	3.4
224.06911	10.0
242.07964	0.9
265.41861	0.5
279.23309	100.0
280.23480	0.8
305.96906	0.5
504.31033	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08610	0.2
59.01385	22.0
61.98827	1.6
64.05992	0.2
71.01338	0.2
71.66685	0.2
78.95898	19.2
84.95087	0.2
91.59122	0.2
96.97019	0.3
104.08730	0.2
122.98547	0.2
134.98564	0.3
152.99577	3.3
168.04303	3.9
171.00676	0.2
224.06926	7.7
242.07996	2.1
265.21729	100.0
266.22150	1.2
275.81497	0.2
416.39334	0.3
471.89029	0.2
490.29446	57.2
491.29947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3444
Annotation	Antillatoxin B
Peak:m/z	Relative Intensity
57.95153	0.8
57.96325	0.7
61.14531	0.8
61.98821	1.3
77.30315	0.8
99.92507	1.2
127.15932	0.9
146.59773	0.8
177.57254	0.9
190.52332	0.9
564.34448	100.0
565.34833	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	565.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82424	0.2
57.03441	0.5
59.01373	1.0
68.99561	0.9
71.01367	1.4
72.46752	0.2
73.02952	0.2
83.01352	0.3
85.02946	0.4
89.02439	0.4
98.02319	0.3
99.04501	0.2
99.30055	0.2
101.02422	1.3
105.03459	0.3
108.02174	2.2
109.02921	4.6
112.98552	1.1
113.02433	0.3
114.69558	0.2
116.92828	0.6
117.03474	0.2
121.02925	1.4
122.03741	0.5
123.00837	2.0
123.04511	3.5
124.01627	1.9
125.02413	0.3
129.03448	0.2
133.02934	0.4
134.03735	3.6
135.04517	0.4
136.01642	0.9
136.05278	0.8
137.02422	5.8
138.03224	2.6
139.03973	2.0
142.55847	0.2
145.02921	0.4
146.03687	1.0
147.04506	11.4
148.05292	6.3
149.02411	2.3
149.06059	1.0
150.03215	3.9
151.03992	10.8
152.04803	2.4
153.05577	1.1
154.02686	0.2
158.03694	2.7
159.04506	8.4
160.05283	23.7
161.02448	0.4
161.04657	0.3
161.06052	10.9
162.03215	4.3
162.06837	3.9
163.03993	8.3
164.04781	7.8
166.06367	1.8
167.07042	0.4
168.04259	0.4
173.02402	0.2
173.06061	3.5
174.03244	0.2
174.06796	0.9
175.04068	4.0
175.07619	24.1
176.04752	5.4
177.02084	0.3
177.05536	10.0
178.02692	0.5
178.06306	5.7
179.03520	0.4
184.03761	0.6
189.05536	0.3
190.06331	0.5
191.03511	0.3
191.05453	0.2
191.07109	6.8
192.07875	1.9
193.05054	1.4
193.08679	1.4
198.05325	1.1
205.08626	0.3
227.70995	0.2
228.07967	0.4
256.07416	1.2
266.05859	0.3
267.06552	0.5
271.09708	2.7
281.08200	0.9
282.08899	0.3
283.06241	2.9
284.06793	1.7
297.07733	0.5
298.08478	3.2
299.09247	18.2
313.10828	4.4
314.11606	12.5
327.12347	0.3
328.13156	0.5
329.10355	0.8
329.13904	9.0
344.12509	1.0
359.15009	100.0
360.15323	1.3
403.13992	5.4
521.20184	1.9
565.19604	6.8
565.28314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81829	0.2
61.72928	0.3
62.35730	0.3
73.11401	0.3
78.95900	18.4
94.23698	0.3
94.36515	0.3
96.96945	1.5
152.99588	30.8
169.72673	0.3
171.00624	2.0
227.03265	3.0
245.04366	0.5
255.23311	100.0
256.23618	2.5
279.23315	2.2
392.96335	0.4
404.17548	0.3
437.10590	0.3
455.35428	0.3
474.52881	0.4
483.27341	72.1
484.27429	3.0
517.66553	0.4
542.70294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82489	0.6
55.01874	3.1
57.03455	2.3
58.00610	0.6
59.01385	63.1
64.34289	0.5
64.77816	0.5
66.18851	0.5
66.44856	0.5
71.01377	32.7
72.99323	0.7
73.02941	10.0
73.66129	0.6
75.92964	0.5
83.01379	4.6
83.84482	0.6
85.02947	18.2
87.00858	0.6
89.02452	5.3
92.11691	0.8
95.01369	3.1
99.00867	4.8
100.86452	0.5
101.02428	20.8
111.00895	2.3
113.02447	15.0
119.03469	2.2
122.77028	0.6
125.02409	0.6
159.02989	2.9
161.04529	6.2
213.18611	1.0
222.37990	0.6
303.92340	0.6
313.27936	0.6
332.15570	0.6
343.28589	3.3
395.78241	0.6
487.32883	9.4
505.33884	100.0
506.33902	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59257	1.0
52.88616	0.9
59.01383	100.0
64.12170	1.1
71.01378	34.1
72.99304	2.1
73.02926	1.1
78.95895	2.7
85.02946	9.1
85.42155	1.2
89.02436	37.3
95.01391	2.2
96.96949	1.9
101.02441	18.9
113.02429	15.8
119.03481	15.5
161.04527	1.9
179.05597	8.2
185.49237	1.3
254.01866	1.5
290.45673	1.3
330.33618	1.5
505.33624	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.6
61.98822	1.5
67.29437	0.3
71.92984	0.3
78.95900	18.6
78.96344	0.6
96.96872	0.3
98.29527	0.3
103.85280	0.3
105.57499	0.3
106.30671	0.3
114.28617	0.3
117.33810	0.3
122.98504	0.4
152.99588	7.7
153.00789	0.5
168.04263	3.3
193.90848	0.4
224.06963	7.3
227.03212	0.3
242.07996	1.8
255.23289	5.4
256.23688	8.1
267.23306	100.0
267.95853	0.3
268.23566	0.8
279.23251	0.4
291.25040	0.4
465.99136	0.3
483.27518	1.3
484.27609	7.5
492.31006	52.5
530.17700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75144	0.3
54.01005	0.3
55.01867	0.5
55.57154	0.4
59.01384	11.9
61.98834	100.0
61.99313	2.5
69.03419	0.6
71.01380	8.3
72.75661	0.4
72.99271	0.7
73.02927	0.8
83.01381	0.6
85.02908	2.3
86.04917	0.3
87.00858	0.8
88.41248	0.4
89.02443	7.0
90.21321	0.4
97.02925	0.9
101.02434	6.0
107.83968	0.4
110.87372	0.4
113.02435	2.9
113.56643	0.4
116.92798	0.5
119.03499	3.8
121.02905	2.6
125.02396	2.7
131.03450	0.5
134.02477	8.3
140.35246	0.4
141.86934	0.5
143.03493	0.7
147.63518	0.4
153.01971	4.1
162.01941	1.9
164.18236	0.5
165.01826	2.0
165.27635	0.3
168.04251	2.5
179.05606	1.9
217.83975	0.4
221.06671	2.0
263.07697	1.5
323.09973	5.4
323.13428	0.7
388.51395	0.4
504.13788	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	567.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.9
57.03434	1.1
57.23738	0.5
58.00579	2.6
59.01384	100.0
59.66078	0.5
61.98828	1.2
69.03461	4.8
71.01379	63.5
72.99281	3.1
73.02951	8.3
81.03448	1.5
82.46403	0.6
83.01385	6.3
85.02940	16.8
87.00864	4.9
89.02437	55.8
95.01372	3.2
97.02930	8.2
99.00869	3.5
101.02428	34.5
110.00026	0.8
111.00823	1.1
113.01709	1.2
113.02446	27.0
119.03488	24.3
125.02428	23.0
125.80647	0.6
131.03474	4.6
137.99570	1.1
139.03949	1.0
143.03522	7.5
149.04524	1.4
153.01938	34.6
161.04547	8.4
168.04272	24.9
169.56503	0.7
179.05591	14.8
183.06592	2.8
221.06694	12.7
245.06558	1.0
263.07684	6.6
323.09851	42.3
439.74585	0.9
440.05072	0.8
472.29135	0.7
536.06946	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53520	1.3
57.03471	1.5
59.01383	71.1
59.22324	1.6
69.03448	2.8
71.01376	42.2
72.99287	3.6
73.02933	2.8
75.00864	100.0
75.01292	3.5
76.72184	1.4
81.03423	2.0
83.01366	2.9
83.88080	1.4
85.02957	15.6
87.00857	4.0
89.02439	42.9
96.95947	2.2
97.02892	3.8
99.00838	3.5
101.02431	23.6
101.06071	3.9
104.66743	1.8
113.02426	18.9
119.03493	16.7
121.02927	4.1
122.10175	1.9
124.07923	1.6
125.02406	20.5
130.08731	13.0
131.03511	3.4
143.03494	2.8
153.01924	24.6
161.04558	7.0
168.04266	13.5
172.09787	10.2
179.05615	9.3
221.06595	10.1
263.07712	2.7
279.52768	1.9
323.09882	26.8
351.12817	2.7
398.33994	2.1
566.01306	1.8
594.51825	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	567.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	70.0
61.98822	100.0
63.42801	38.9
65.36737	42.5
72.23468	44.7
73.39709	43.3
86.14678	50.9
96.95964	66.1
111.61288	53.0
112.43910	48.7
115.13593	49.0
142.97313	48.3
204.35846	49.3
207.50552	46.2
295.22864	93.1
316.13849	50.2
409.18765	56.7
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
54.82640	0.6
58.02972	0.9
59.01382	10.4
59.26751	0.5
61.98841	0.6
68.74005	0.5
71.01374	6.5
71.45155	0.7
72.99298	0.8
75.00858	7.4
85.02946	5.6
87.00885	1.0
89.02423	3.5
92.11640	0.7
96.96011	0.7
99.00850	1.4
101.02428	2.5
101.06071	23.4
113.02437	5.8
115.93684	0.6
119.03456	0.8
128.10797	5.2
130.08722	100.0
135.61945	0.6
153.01920	1.0
172.09782	72.8
182.20822	0.6
216.08766	1.5
249.06187	2.6
292.67966	0.6
304.92886	0.7
351.08755	1.1
351.12997	26.2
479.38467	0.7
513.40479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95330	0.7
54.03976	0.6
55.04939	0.5
55.22240	0.6
57.03451	1.0
59.01386	20.5
61.98811	2.6
78.95897	25.3
96.96041	0.6
97.06579	12.5
113.09698	5.5
116.92850	1.1
127.29150	0.8
152.99577	4.2
153.12888	0.9
168.04337	4.8
169.15976	1.0
181.74373	0.8
199.22145	0.9
211.41017	0.7
223.20737	1.1
224.06911	11.2
225.22263	8.1
242.07950	1.6
251.20238	9.5
269.21225	100.0
270.21664	3.2
305.46695	0.7
341.11545	0.7
428.00412	0.9
451.23840	0.9
494.28912	60.5
495.29358	1.7
532.55432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20214	0.1
59.01383	19.9
61.98869	0.1
62.73946	0.1
65.04642	0.1
69.67715	0.1
69.99531	0.1
75.00860	0.1
76.01132	0.1
78.95899	18.3
84.83974	0.1
94.47257	0.1
96.96969	0.2
129.92052	0.1
141.59064	0.1
152.99579	2.7
168.04301	3.3
224.06949	7.4
242.00723	0.2
242.08040	1.8
269.24866	100.0
270.25165	0.7
304.94293	0.2
328.92325	0.1
450.73657	0.2
494.32541	56.1
495.33069	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31308	0.2
58.51043	0.3
59.01389	15.9
61.09454	0.3
61.98837	0.4
64.48090	0.2
72.65730	0.3
75.88208	0.3
78.95905	4.9
79.81106	0.3
86.28760	0.3
148.93976	0.3
152.99594	1.4
168.04318	1.4
224.06935	1.5
242.07983	1.5
269.24860	100.0
270.25171	0.5
297.24356	0.7
494.32547	32.5
495.33014	0.3
584.67426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	1.3
73.99884	0.8
78.95901	16.3
90.08417	0.7
152.99593	4.2
168.04308	3.1
212.89438	0.8
224.06912	5.9
242.07910	1.4
283.26443	100.0
400.10669	0.9
502.67578	0.8
508.34100	54.5
594.22382	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89468	0.1
59.01379	2.2
61.01831	0.2
61.98835	100.0
71.01393	1.7
73.02945	0.2
76.97372	0.2
81.74348	0.2
85.02925	0.2
87.00874	0.2
88.85226	0.2
89.02448	0.9
90.02759	0.2
91.64648	0.2
101.02455	0.3
108.95963	0.2
113.02457	0.3
114.39497	0.2
119.03512	0.6
125.02422	0.7
130.08752	0.3
139.13959	0.2
153.01962	0.7
154.02365	0.2
162.17558	0.2
173.10173	0.2
179.66792	0.2
180.85854	0.2
295.86310	0.2
325.10376	0.3
326.10660	0.3
344.55219	0.2
349.25952	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31784	0.1
55.01864	0.1
57.03413	0.1
59.01385	20.0
61.98816	0.3
78.95898	20.7
91.27161	0.1
92.11759	0.2
96.96946	0.2
97.06596	1.1
99.08149	5.1
101.91640	0.1
104.97467	0.1
108.78682	0.1
113.09711	0.6
122.98509	0.5
134.98618	0.2
135.39169	0.1
150.04869	0.1
151.27582	0.1
152.99585	3.8
153.12856	0.7
155.14423	5.3
160.80864	0.1
168.04315	4.2
169.15913	0.8
171.13919	0.1
194.05832	0.2
198.87772	0.1
223.20650	0.1
224.06944	8.6
225.22240	7.9
226.22618	0.1
235.20619	0.7
242.07980	2.1
253.21716	1.4
268.45697	0.1
269.21222	1.7
271.22794	100.0
272.23148	1.5
306.99341	0.1
425.23416	0.2
496.30505	66.7
497.31131	1.0
511.27173	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	570.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86340	0.2
59.01386	15.5
59.33909	0.2
61.77845	0.2
61.98826	1.2
64.34438	0.2
65.27045	0.2
70.09972	0.2
73.50272	0.2
76.95489	0.2
78.36837	0.2
78.95899	7.0
83.78828	0.2
95.01112	0.2
97.06525	0.3
99.08145	4.0
113.09724	1.0
138.02237	0.2
141.12852	0.4
146.89896	0.2
152.99576	1.8
153.12842	0.4
155.14400	3.8
168.04312	1.8
171.10272	0.5
208.91212	0.3
224.06958	1.7
225.22244	6.5
235.20586	0.5
242.07994	2.8
253.21701	1.1
269.21274	1.7
271.22794	100.0
272.23190	1.0
277.21698	1.2
294.00049	0.2
295.22855	0.4
324.65533	0.2
333.40881	0.2
371.85699	0.3
496.30505	45.0
497.30756	0.5
520.30389	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	570.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50609	0.3
59.01385	13.7
61.98796	0.4
63.56086	0.3
78.95900	15.2
96.96928	0.5
116.92758	0.5
124.75408	0.3
152.99596	5.8
168.04240	1.8
197.19104	0.6
198.99809	0.3
223.00050	0.3
223.20735	3.9
224.06938	10.9
225.22249	59.5
226.22546	0.5
241.01074	0.6
253.21712	2.1
255.23361	3.2
271.22797	100.0
272.23203	2.2
496.30502	28.7
497.30457	0.7
571.29327	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	571.289
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69973	0.5
58.86162	0.4
73.97023	0.5
78.95895	57.7
92.12484	1.2
96.96944	14.6
134.98499	0.5
152.99582	61.7
187.49162	0.5
223.00143	1.9
241.01187	29.8
255.23294	89.6
256.23611	0.7
259.02063	0.7
308.20157	0.6
315.04877	7.6
391.22351	3.8
571.28918	100.0
572.29437	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84182	0.3
53.03703	0.4
54.82457	0.4
78.95898	71.9
80.63686	0.4
88.02179	0.4
90.36269	0.4
96.96947	17.8
102.47162	0.5
150.98022	0.8
152.99583	65.9
167.46220	0.4
179.05600	0.5
216.14523	0.4
223.00159	1.7
225.33986	0.4
240.98656	0.8
241.01199	36.5
255.23308	100.0
256.23657	1.7
259.02191	0.7
314.34650	0.5
315.04913	8.3
391.22574	4.3
492.93588	0.5
571.28925	95.8
572.29340	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	571.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
61.98834	0.2
64.67931	0.1
72.87981	0.1
78.95923	0.2
92.12293	0.2
97.04613	0.2
111.88602	0.2
116.92878	0.3
138.31862	0.2
157.12337	100.0
158.12674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27486	0.1
54.82430	0.1
56.27304	0.1
61.98851	0.1
62.68678	0.1
66.72013	0.1
66.82215	0.1
89.72530	0.1
97.54068	0.1
223.20667	0.2
241.21764	100.0
242.22050	2.0
268.62408	0.1
599.35461	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	573.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77534	1.1
59.01363	2.4
99.92570	92.8
100.93359	1.4
106.77745	1.3
107.05000	3.2
109.06548	3.0
109.09116	1.4
115.91317	2.1
115.92072	44.3
116.92850	49.3
117.93665	1.3
123.04490	7.0
207.98276	3.2
222.96986	1.7
233.96179	3.2
234.96968	1.8
236.94946	2.2
251.97354	15.5
353.28088	1.4
355.29877	1.7
381.31778	6.5
394.75436	1.6
425.30627	1.7
510.56839	1.5
511.25397	3.2
529.26178	6.3
555.24463	2.1
573.25317	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	573.3051
Annotation	13beta,29-Dihydroxymilbemycin A4
Peak:m/z	Relative Intensity
54.59457	1.0
58.21370	1.1
59.01376	4.4
61.98832	1.4
63.05787	0.9
68.49119	1.0
71.01380	2.6
89.02411	1.4
92.12370	2.3
92.63182	1.1
99.92567	1.9
113.02380	1.3
115.92021	4.0
116.92854	22.9
130.28101	1.2
136.01602	2.4
140.26886	1.1
151.03984	4.5
169.31459	1.2
439.70734	1.0
460.07150	1.2
537.32916	23.5
573.12701	2.3
573.30426	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	573.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
57.97554	0.3
59.01387	19.7
64.34209	0.2
65.74409	0.2
68.30080	0.2
71.01384	3.1
73.02927	0.6
78.95882	0.3
83.01372	0.3
85.02932	1.0
87.00880	0.2
89.02448	3.5
89.02981	0.4
98.15308	0.3
101.02452	3.5
109.14064	0.3
113.02428	1.4
119.03470	1.0
126.27446	0.2
161.04520	1.2
179.05606	0.4
233.22641	0.3
235.08159	1.0
253.09283	12.2
256.23648	0.4
267.56396	0.2
277.21719	100.0
278.22061	1.5
573.29761	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	573.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07083	0.1
53.56918	0.1
55.01892	0.2
59.01390	17.0
69.14042	0.1
71.01385	3.2
73.02936	0.9
78.95896	0.2
83.01372	0.3
85.02952	0.8
87.00890	0.3
89.02439	3.0
95.01339	0.2
99.00830	0.3
101.02435	3.2
103.03936	0.2
108.84708	0.2
113.02439	1.3
119.03473	0.7
127.07523	0.2
150.73997	0.1
161.04529	1.1
166.40892	0.1
179.05574	0.3
233.22699	0.3
235.08231	1.2
253.09280	11.1
259.20581	0.2
275.20319	0.2
277.21719	100.0
278.22107	2.6
279.23157	0.2
487.78345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03135	0.6
61.98833	1.5
62.96407	0.6
78.95898	100.0
96.72876	0.6
96.96003	38.4
96.96919	5.2
98.95588	2.7
98.96362	0.6
99.92576	11.7
103.45425	0.7
114.94930	4.8
115.92064	12.3
116.92841	5.8
134.98602	0.9
137.99654	1.0
141.95993	7.6
150.98053	1.0
152.99594	37.0
163.89749	0.9
171.00710	4.0
177.89810	1.2
178.88463	1.2
178.90617	1.0
179.89215	16.6
180.89992	6.7
181.90813	6.6
192.00703	1.3
194.90073	1.0
196.03757	0.9
196.89484	30.1
204.92392	1.3
205.93207	1.5
222.93405	3.0
235.91843	3.7
236.92622	1.3
277.21732	8.7
277.95560	0.9
431.21979	3.8
457.10770	0.8
472.24805	2.5
476.27631	9.1
497.14117	1.3
514.14429	5.4
538.16632	11.1
556.17743	8.9
570.15564	1.2
574.18890	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	575.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59040	0.7
59.01386	100.0
71.01381	17.3
73.02950	9.4
78.19703	0.7
83.01378	1.9
85.02944	4.9
85.93732	0.7
89.02448	8.7
99.80086	0.8
101.02432	9.7
108.78922	0.8
113.02467	8.6
115.79047	0.9
119.03502	1.5
143.18839	0.9
147.16000	0.9
161.04582	4.7
178.02953	0.8
286.70282	0.9
307.67526	1.0
471.33499	4.5
489.34338	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	575.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38145	0.9
55.01879	2.1
59.01383	100.0
60.97601	0.9
63.48981	1.0
71.01363	9.7
73.02937	4.8
83.01387	1.2
85.02944	7.2
87.01400	1.0
89.02440	1.6
98.64317	1.1
101.02431	6.1
102.50202	1.1
113.02426	6.1
139.70490	1.1
140.91389	1.0
148.13327	1.1
161.04541	1.6
162.38367	1.2
255.09753	1.2
269.87851	1.3
349.71149	1.1
381.19171	1.5
471.33298	19.0
489.34384	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	575.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45274	2.2
75.25145	2.5
76.24602	2.5
84.40253	2.5
85.96529	2.3
86.00375	2.6
92.65887	2.9
138.37411	2.4
150.51659	2.8
152.12546	2.7
154.80586	2.6
183.13884	5.6
195.13885	3.1
249.62546	3.3
277.21674	6.3
279.20395	4.4
279.23294	100.0
295.22781	67.7
308.04004	3.0
313.23898	5.5
370.62595	3.0
575.46625	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	576.204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82550	0.3
57.90268	0.3
59.01389	0.3
60.81961	0.3
61.98837	3.1
61.99107	0.4
62.96397	1.2
78.95894	100.0
96.95998	2.5
96.96932	4.0
98.95605	1.3
99.92566	16.3
100.92732	0.3
100.93360	1.7
109.79031	0.3
114.94911	7.4
115.92061	15.0
116.15381	0.3
116.92828	6.0
119.98573	0.6
125.92883	0.8
134.98537	1.5
135.98053	0.5
137.00090	0.6
137.99611	1.7
140.01186	0.7
141.95996	9.1
150.98010	2.7
152.99576	47.6
155.95271	0.4
163.89726	1.8
164.90541	0.4
165.91241	0.4
171.00664	0.5
177.91341	0.4
178.88480	2.4
179.89200	21.2
180.89987	9.8
181.90767	8.8
192.00667	1.7
194.02242	2.3
196.03848	0.6
196.89473	41.4
197.89496	0.4
204.92421	2.9
205.90790	1.4
205.93161	3.7
218.91588	1.2
219.92365	1.4
222.93358	2.4
223.94263	0.5
233.93762	0.5
235.91759	4.1
236.92517	2.2
277.95319	1.7
279.23288	18.2
302.13806	0.3
433.23553	5.4
435.18311	1.5
459.12408	0.7
474.26099	2.3
499.15659	3.0
515.14935	0.6
516.15820	6.0
533.16351	0.6
540.18243	11.9
558.19202	8.7
572.17249	2.2
576.20398	32.9
577.20752	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	576.204
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39544	0.5
59.67239	0.5
61.98843	0.8
62.06905	0.5
62.96392	1.0
63.57644	0.4
76.31863	0.5
78.95906	100.0
82.95423	0.9
96.96007	5.3
96.96955	6.1
98.95593	2.6
99.92573	13.8
100.93331	0.8
112.55117	0.6
114.94937	8.2
115.92070	14.6
116.92230	0.6
116.92862	9.9
116.98773	0.6
137.99615	1.0
140.01151	2.6
141.96028	11.8
150.98007	3.1
152.99582	59.9
164.90421	0.8
165.91286	0.8
171.00578	0.9
179.89224	25.4
180.90027	10.9
181.90840	4.3
192.00612	1.1
194.02225	0.6
196.89496	42.5
196.91321	1.4
197.01408	0.6
204.92346	2.3
205.90833	1.2
205.93140	3.1
219.92255	0.7
222.93411	1.0
223.94298	1.0
235.91827	8.5
236.92665	0.8
252.92102	0.9
276.23950	0.6
277.21857	0.9
277.95224	3.8
279.23279	25.7
279.96591	0.7
280.23584	1.1
433.23514	3.0
459.12158	1.0
474.25742	0.7
499.15674	4.5
516.15692	5.9
533.15967	0.9
540.18304	10.7
558.19482	8.9
572.17438	1.3
576.20361	36.9
577.20844	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51547	0.1
59.01367	0.2
59.73368	0.1
61.98833	100.0
63.37980	0.1
64.35075	0.1
67.16430	0.1
75.40780	0.2
78.95916	0.3
88.42411	0.1
91.47535	0.2
96.48822	0.1
105.42493	0.1
107.38900	0.1
112.06542	0.2
116.92880	0.6
119.28456	0.1
121.02955	0.3
135.92645	0.1
152.99652	0.7
277.21759	0.3
277.82925	0.2
278.22232	0.7
279.22742	0.3
314.65833	0.2
346.52036	0.1
576.33789	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54640	0.2
52.70565	0.2
55.33212	0.2
59.01382	27.5
71.01357	0.3
72.01270	0.2
78.95893	29.4
81.25426	0.2
83.05045	0.2
84.08344	0.2
121.75068	0.2
122.98503	0.2
133.48972	0.3
152.99603	4.5
168.04314	5.3
222.28868	0.3
224.06956	11.0
233.22678	0.3
242.07953	2.1
259.20584	0.4
275.20233	1.1
277.21722	100.0
278.22086	2.1
279.38046	0.2
318.03461	0.2
502.29425	73.7
503.29712	3.1
601.11218	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1569
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
51.34311	0.1
58.76233	0.1
59.01373	0.3
62.26020	0.1
63.02092	0.1
63.02398	1.7
65.00303	0.7
68.71953	0.1
71.01380	0.1
71.90721	0.1
83.01395	0.1
93.03442	0.4
105.03429	0.1
107.01389	1.8
116.92834	0.1
117.03457	3.5
121.02953	0.3
122.87974	0.1
133.27876	0.1
135.04514	0.3
149.02441	1.0
151.00378	1.1
155.05020	0.1
159.04498	1.6
161.02452	0.8
169.06549	0.5
171.04520	0.2
173.06023	0.1
181.06601	0.4
182.03670	0.1
183.04512	1.0
195.04469	0.1
196.05296	0.4
197.06134	0.8
199.04105	0.2
201.05626	0.8
203.03532	0.1
211.04094	0.2
218.42975	0.1
224.04811	0.3
225.05591	1.5
227.03526	0.7
239.03494	0.2
240.04237	0.4
241.04980	0.1
267.02911	0.1
268.03766	4.8
269.04553	100.0
270.04892	2.6
311.05734	0.3
315.29224	0.1
329.13898	0.1
338.13596	0.1
415.92822	0.1
570.73053	0.1
577.15613	3.4
578.15894	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	577.178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	51.7
59.01386	100.0
69.03478	4.9
71.01379	61.8
72.44930	3.8
73.02946	26.4
78.95902	4.7
83.01382	8.8
85.02953	8.4
87.00864	4.1
89.02435	41.0
97.02962	10.0
99.04490	7.8
100.04209	4.7
101.02437	59.1
109.03014	5.2
113.02450	29.4
119.03495	17.5
121.60172	3.8
123.04498	4.7
125.02436	35.3
143.03491	4.5
161.04579	17.9
176.90202	4.3
191.47610	4.5
206.08543	5.1
221.06589	5.4
263.07751	5.0
323.09927	36.7
365.10928	7.2
433.13586	51.1
475.14487	26.0
577.17303	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78396	0.4
53.90834	0.4
54.58558	0.3
55.01869	0.5
57.03445	0.5
58.99988	0.5
59.01111	0.8
59.01387	16.4
60.05159	0.4
60.09393	0.4
60.51628	0.4
61.98825	0.5
65.43315	0.4
69.03451	0.4
71.01384	11.8
72.99305	0.4
73.02922	0.8
74.98177	0.4
80.35145	0.4
80.74416	0.4
83.01378	0.9
85.02959	3.1
87.00858	0.9
89.02431	14.6
95.01333	0.8
101.02444	8.4
113.02459	4.6
119.03511	4.2
122.02462	0.6
125.02459	0.4
132.02174	13.2
134.03741	8.8
139.02113	0.5
149.06111	0.9
160.01657	77.5
161.02022	0.7
161.04625	0.7
161.09692	0.8
166.96173	0.4
175.04001	100.0
176.04385	0.8
178.02664	0.6
179.05618	2.5
191.10780	3.1
193.05054	9.7
235.06175	0.8
243.67221	0.4
272.09607	0.5
279.56531	0.5
337.09363	2.8
341.10809	2.8
354.59369	0.5
408.62552	0.5
498.75488	0.5
517.15631	43.4
518.16113	0.8
577.21539	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.9
56.68908	2.6
57.03456	67.3
59.01108	4.6
59.01387	100.0
69.03449	6.9
71.01379	67.2
71.22716	3.0
73.02948	7.2
83.01374	7.6
85.02948	45.7
87.00895	7.1
89.02439	49.1
89.93012	3.0
92.65476	3.6
95.01372	15.2
97.02946	13.8
99.00893	12.8
99.04518	16.3
101.02447	64.4
108.02168	57.8
109.02951	93.1
113.02441	42.7
119.03485	15.5
123.00855	8.2
124.01676	4.4
125.02435	33.7
143.03491	24.7
151.04010	3.7
161.04546	18.6
179.05724	4.5
198.28647	3.7
221.06728	5.8
243.29385	3.5
245.06607	5.4
253.07237	5.7
263.07822	6.0
271.08377	5.2
305.08737	6.5
307.06854	3.3
323.09897	13.4
323.13486	33.5
344.13489	3.6
415.12497	22.2
433.13550	83.2
475.08438	3.6
475.14688	20.9
515.17596	4.8
529.97650	3.8
577.17670	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	577.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05814	0.8
55.80579	0.7
57.22993	0.7
59.01392	8.2
64.26308	0.8
67.76115	0.8
70.13774	0.8
70.27827	1.0
71.01389	10.7
73.02967	1.8
78.95902	44.1
78.98583	8.0
79.95750	10.5
80.96516	91.2
81.03470	1.2
85.02966	3.8
87.00887	2.1
94.98083	19.6
96.75055	0.8
96.96014	5.5
96.96988	1.5
97.02969	1.5
101.02461	4.7
106.98100	3.5
115.92061	7.3
116.92110	1.8
116.92893	6.5
117.92840	1.2
122.97587	4.4
125.02471	4.2
134.97560	6.8
136.99147	1.6
148.99142	7.4
152.98659	6.3
152.99742	1.5
156.12016	0.9
164.98611	14.4
171.00667	1.2
178.02750	0.8
179.89207	8.4
180.90067	1.9
196.89516	10.9
197.89590	5.4
206.99727	2.0
225.00768	19.3
277.21780	15.5
278.22049	9.4
293.53909	1.1
299.04572	4.9
411.28583	0.9
437.55511	0.9
469.16193	1.0
486.16528	1.6
502.29935	4.2
503.30020	4.5
529.19061	1.2
541.18848	1.2
559.19775	3.6
577.27295	100.0
577.69910	0.9
578.27722	1.4
592.36060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82426	1.3
59.01381	4.0
63.96239	2.3
71.01387	9.8
73.02953	2.3
78.95895	47.0
78.98601	9.1
79.87215	1.5
79.95724	14.0
80.90742	1.6
80.96513	91.3
85.02966	2.6
87.00851	2.7
94.98078	21.9
96.95988	2.4
96.96993	2.2
99.92593	2.1
101.02422	1.7
106.98083	4.2
115.92091	2.1
116.92868	3.9
118.17989	1.9
122.97598	3.7
134.97612	9.8
148.99153	10.8
149.45943	1.8
152.98634	8.5
164.98601	12.8
168.04274	2.5
179.89136	3.8
180.90263	2.0
196.89499	4.3
197.89549	3.2
225.00739	16.4
299.04410	6.6
343.96426	1.9
503.32794	8.6
576.20770	2.0
577.27234	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	577.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11384	0.1
52.49771	0.1
54.04870	0.1
55.01873	0.5
55.85791	0.1
56.65555	0.1
57.03440	0.1
58.00580	0.2
59.01378	19.2
61.98813	0.1
70.12767	0.1
71.01366	2.5
72.99284	0.1
73.02927	0.8
78.95888	0.2
82.95399	0.5
83.01378	0.4
83.08299	0.1
84.95095	3.7
85.00409	0.2
85.02950	0.7
87.00832	0.2
89.02417	2.9
91.03999	0.2
101.02414	3.4
113.02423	1.4
119.03440	0.9
133.05066	0.2
143.03462	0.1
146.33499	0.1
147.44907	0.1
152.99562	0.2
159.28500	0.1
161.04514	1.0
174.74240	0.1
179.05635	0.2
183.02515	0.1
235.08189	0.9
253.09294	9.6
254.09544	0.1
268.30798	0.1
279.23270	0.2
281.24857	100.0
282.25244	2.0
307.30060	0.2
310.64734	0.2
354.75677	0.1
517.33887	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71025	0.1
54.82459	0.1
59.01387	12.3
67.04476	0.1
71.01384	2.2
73.02949	0.6
77.75359	0.1
83.01376	0.2
85.02946	0.7
87.00857	0.3
89.02455	2.2
94.41299	0.1
99.00864	0.1
101.02433	2.1
113.02462	1.1
119.03493	0.7
161.04535	1.1
179.05621	0.2
199.09903	0.1
235.08250	1.4
253.09285	8.8
260.54105	0.1
281.24863	100.0
282.25220	2.2
390.74234	0.2
517.34460	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4246
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
53.23764	0.2
56.05653	0.3
59.01373	1.5
71.01384	0.4
71.07110	0.3
92.11774	0.4
108.02617	0.3
116.92816	0.4
136.75267	0.3
137.65131	0.3
167.90498	0.3
259.20734	0.7
275.20267	0.7
277.21729	100.0
278.22086	2.4
292.19528	0.3
312.18497	0.4
372.12485	0.3
401.00134	0.3
425.81302	0.3
452.23407	0.4
577.42468	52.6
578.42883	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	578.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16217	0.1
54.54764	0.1
54.82852	0.1
59.01370	0.3
59.77105	0.1
61.98832	100.0
77.55946	0.1
100.08874	0.2
115.05032	0.1
136.39243	0.2
154.20012	0.2
159.81393	0.1
253.09308	0.2
279.23273	1.5
280.23648	2.0
281.23862	1.7
282.24359	0.7
303.50317	0.2
351.31039	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87479	0.2
54.96671	0.2
56.64844	0.2
59.01382	18.1
60.06158	0.2
66.41521	0.2
68.52938	0.2
72.35612	0.2
78.95895	19.1
92.12372	0.4
93.98841	0.2
97.52338	0.2
126.72791	0.2
132.94199	0.2
152.99591	3.4
163.31314	0.2
168.04285	4.0
224.06947	8.4
242.07959	1.5
261.22446	0.3
279.23288	100.0
280.23615	2.6
504.30984	51.7
505.31165	0.3
584.77985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88961	0.1
57.16919	0.1
59.01383	14.8
60.62303	0.1
63.82202	0.1
76.57380	0.1
77.08927	0.1
78.95895	5.4
80.96484	0.4
88.96696	0.1
92.65317	0.1
96.96934	0.1
97.67603	0.1
99.58369	0.1
134.26312	0.1
152.99568	1.1
168.04311	1.5
168.67442	0.1
224.06964	0.8
242.07942	2.1
261.22229	0.4
279.23288	100.0
280.23636	1.8
503.02753	0.1
504.31018	28.7
505.31146	0.6
579.28729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45948	0.5
57.02933	0.5
61.98836	100.0
66.06602	0.6
70.69458	0.5
72.00922	0.4
83.49751	0.5
95.42793	0.5
106.04252	0.5
112.67445	0.5
125.55356	0.5
148.29024	0.5
163.10022	1.0
163.11290	20.6
177.12822	2.9
208.11061	2.2
245.58040	0.5
280.95935	0.6
281.15640	0.7
282.16321	2.3
283.17093	2.7
316.11395	0.6
331.34674	0.5
339.23325	62.9
340.23654	2.5
351.23181	3.8
400.59775	0.5
515.35376	55.1
516.35565	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.136
Annotation	Carlinoside
Peak:m/z	Relative Intensity
59.01362	0.8
71.01356	0.7
73.62595	0.3
79.01892	0.4
83.01324	0.4
83.11686	0.4
101.02417	0.5
102.63615	0.4
107.01346	0.4
109.02944	4.8
119.04969	0.4
121.02957	0.6
131.05002	0.4
133.02940	16.3
133.06543	0.6
134.03725	2.1
135.04503	3.3
147.04535	0.9
149.02426	1.7
149.06010	0.5
151.04021	1.3
159.04457	0.5
161.02394	1.6
161.06029	0.6
162.03244	0.4
163.04010	2.2
165.01953	0.4
167.03593	0.4
173.02383	0.4
174.03149	0.5
175.03972	5.5
177.01904	4.1
177.05498	2.5
178.02715	0.5
179.03458	2.0
187.03955	1.7
189.01944	0.8
189.05566	1.5
191.03511	2.2
193.05132	0.4
199.04028	0.7
199.07622	0.4
201.01955	2.4
203.03519	3.2
205.01474	1.6
205.05086	1.8
211.03879	0.5
212.04872	0.5
213.05551	1.3
215.03485	0.9
217.05049	0.8
219.02914	0.6
219.93576	0.4
221.04527	0.7
225.05637	0.7
225.09329	0.4
227.03563	0.5
231.02971	0.5
233.04497	2.1
235.02435	0.6
239.07060	1.5
241.04996	0.8
243.02837	0.5
245.04552	2.1
251.07144	0.5
251.52200	0.4
253.05109	0.7
254.05864	0.4
255.02820	0.4
255.06613	1.6
259.06189	0.4
265.05069	0.9
266.05719	0.5
267.03296	0.4
267.06546	1.7
269.04480	1.4
270.05225	0.6
271.02631	0.4
281.04462	0.6
282.05173	0.6
283.05997	2.5
284.03284	0.6
284.06717	0.4
285.04214	0.6
295.06140	1.3
297.04028	5.5
298.04849	16.1
299.05634	6.0
309.04050	2.2
310.04800	1.9
311.05634	14.1
312.06390	15.6
313.07214	15.1
323.05615	3.6
325.07034	3.5
327.05151	7.6
330.03812	0.5
337.95181	0.4
338.04291	0.6
339.05118	19.9
340.05447	1.4
341.06702	10.1
341.54044	0.3
344.05417	2.3
351.05173	2.0
353.06665	6.2
357.06195	2.2
367.04498	0.5
369.06177	63.7
370.06900	1.2
371.07568	2.4
381.06174	8.2
383.07739	2.5
399.07236	46.5
411.07184	7.5
413.08975	0.9
423.07193	1.5
425.09558	0.5
429.08304	9.8
435.07159	0.8
441.08243	3.4
453.08313	2.4
459.09393	7.6
471.09503	3.5
489.10428	27.0
501.10730	0.6
519.11322	4.9
561.12775	3.4
579.13580	100.0
580.14209	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55332	0.8
57.03439	0.9
59.01394	9.2
59.01632	1.1
64.34684	1.1
68.49973	0.8
71.01376	4.4
73.02904	0.9
85.02953	1.0
89.02415	2.1
95.01376	0.8
101.02437	2.0
109.02918	1.6
116.92859	2.2
121.02950	1.6
123.00861	3.6
123.04506	1.3
125.02427	1.2
137.02425	17.1
139.03990	1.2
146.47073	0.9
149.02432	1.2
151.00349	21.5
151.03984	3.9
152.01173	1.2
152.04790	1.3
159.71841	0.8
161.02440	1.1
166.02708	82.3
167.03400	5.0
175.04037	1.1
177.01927	5.1
178.02739	1.2
181.05060	89.4
189.11263	1.1
192.04237	1.1
193.05101	1.2
205.05008	1.5
205.08966	0.9
206.05672	0.9
207.06677	1.0
209.45583	0.9
223.06078	3.5
321.74677	0.9
329.10165	1.4
359.11484	1.2
364.55652	0.9
387.10953	22.7
402.13232	11.5
417.15619	100.0
418.16013	1.1
519.31561	1.2
534.20642	1.2
539.54944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88102	0.4
56.47834	0.3
57.03440	0.5
59.01370	0.9
61.98826	1.0
63.96221	1.0
69.03474	0.4
71.01390	9.5
71.88663	0.4
73.02934	0.9
74.88680	0.4
78.95895	2.7
78.98601	6.5
79.95737	11.7
80.96519	76.5
81.03468	0.5
82.40848	0.4
85.02953	4.0
87.00851	2.8
92.12357	0.6
94.98079	16.9
96.95985	0.9
97.02940	2.2
101.02424	2.4
106.98083	2.9
116.92822	1.7
122.97562	3.7
125.02452	2.9
127.03886	0.4
134.97583	5.0
136.99100	2.0
148.99152	8.0
152.98608	5.7
164.98613	13.5
206.99683	2.2
225.00780	14.5
279.23303	3.3
292.50729	0.5
299.04529	3.7
579.28491	100.0
580.29016	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.8
60.01712	0.7
61.01805	1.3
61.98833	100.0
62.17489	0.3
73.77685	0.3
75.64989	0.3
78.95901	12.5
80.96342	1.7
121.02953	0.4
122.68456	0.3
152.99576	2.0
154.00047	0.4
168.04353	1.5
168.41989	0.3
169.04677	0.3
224.07085	1.8
225.07393	1.5
226.07536	0.7
244.08510	0.4
277.21735	11.9
278.22067	17.8
279.22357	12.9
280.22583	5.8
314.54541	0.3
377.11487	0.3
435.53232	0.3
502.29419	2.2
503.29694	4.5
504.30017	11.9
505.30270	15.6
603.71118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06840	0.5
59.01382	0.7
63.32845	0.5
78.95899	100.0
96.96948	2.6
97.06599	0.6
108.98848	0.5
110.34558	0.5
116.92841	0.6
125.09711	11.9
134.98518	0.7
152.99596	24.0
187.09756	8.2
255.23303	36.2
279.23148	0.9
323.08951	0.9
355.38678	0.6
355.61987	0.5
391.22610	2.3
409.23468	0.7
579.33051	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	579.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98984	0.9
53.05438	0.7
55.01871	4.7
57.03432	4.7
58.00604	1.0
59.01388	50.2
71.01384	33.7
71.05021	1.2
72.99287	1.6
73.02946	13.0
83.01366	5.5
83.05033	2.3
85.02944	17.8
87.00862	2.0
87.04501	1.7
89.02434	6.8
95.01381	3.9
99.00854	4.7
99.04520	1.0
101.02439	20.6
111.00910	1.4
113.02444	13.7
119.03483	2.3
141.07420	0.9
159.02957	1.7
161.04518	4.4
172.07001	1.0
182.02425	0.9
197.15451	1.5
213.18581	2.2
279.23212	1.3
320.81262	1.1
329.04086	1.1
357.26422	4.7
459.29791	1.2
519.31781	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	579.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.1
67.59213	0.6
68.03492	0.5
71.01366	2.3
78.95902	2.6
85.02906	0.6
89.02431	2.4
90.32844	0.6
101.02408	1.4
111.17984	0.6
111.63538	0.7
113.02434	0.9
116.92822	0.7
251.26138	0.6
253.09290	9.5
255.23457	0.7
283.26443	100.0
284.26694	3.1
341.35205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51924	0.3
51.81833	0.2
53.40871	0.3
55.75676	0.3
57.03423	0.3
59.01396	1.5
61.98833	100.0
71.01381	1.2
85.02952	0.4
89.02440	0.7
94.52077	0.3
101.02399	0.4
104.36039	0.3
113.02466	0.4
128.03578	0.4
131.97552	0.4
132.02158	1.2
149.01381	0.3
160.01668	5.7
164.07239	0.4
175.04010	5.8
176.04451	0.4
193.05249	0.4
225.73193	0.3
517.15942	3.0
579.23218	0.5
580.23840	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	580.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71355	0.2
59.01388	1.2
61.98837	100.0
64.34644	0.2
66.07005	0.2
78.95895	0.3
80.26040	0.2
87.00881	0.9
88.00408	1.3
89.02446	0.3
101.02444	0.3
113.02447	0.2
173.32533	0.2
180.73463	0.2
237.08708	0.2
281.24857	2.4
282.25134	3.5
283.25537	2.4
284.25854	0.5
383.55380	0.2
438.50330	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03726	0.1
57.04111	0.1
59.01383	0.8
61.98832	100.0
65.24187	0.1
68.27662	0.1
71.01404	0.2
72.21416	0.1
78.50430	0.1
78.95895	0.3
87.54828	0.1
92.11732	0.4
102.19137	0.1
105.22605	0.1
196.86380	0.1
202.57567	0.1
218.04134	0.1
236.41893	0.1
255.09918	0.2
281.24872	2.8
282.25168	3.1
283.25543	2.0
284.25778	1.1
308.50262	0.1
534.87140	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83066	0.1
59.01382	14.6
60.75295	0.1
61.98830	3.3
63.99246	0.1
67.97489	0.1
78.95897	5.9
82.78449	0.1
84.95097	0.2
85.00431	0.2
92.11710	0.2
104.72022	0.1
107.97063	0.1
135.77655	0.1
152.99557	1.3
166.68413	0.1
168.04286	1.5
175.97144	0.1
216.52670	0.1
222.79877	0.1
224.06952	0.8
242.07994	2.5
250.62759	0.1
281.24854	100.0
282.25214	2.1
358.80121	0.2
506.32523	27.8
507.32764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18786	0.1
59.01383	18.4
60.64093	0.1
61.98821	0.2
62.93325	0.1
63.19707	0.1
64.34441	0.1
78.95896	19.0
79.58113	0.1
96.96947	0.4
99.92573	0.1
121.02980	0.2
122.98552	0.5
134.98567	0.1
152.99570	3.2
168.04314	3.5
171.00697	0.1
179.89207	0.1
180.90051	0.2
186.27170	0.1
194.05882	0.1
196.89490	1.0
224.06955	7.3
242.07956	1.6
255.23360	0.2
281.24857	100.0
282.25165	1.3
283.92664	0.1
339.66302	0.1
448.21170	0.1
463.64938	0.1
506.32516	52.1
507.32840	1.0
521.29291	0.1
580.22980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15610	0.2
57.52980	0.3
58.86325	0.3
59.01384	16.8
61.98816	0.7
64.63640	0.3
77.80109	0.3
78.95895	19.8
81.56852	0.3
84.92622	0.3
90.51369	0.3
125.71406	0.3
152.99619	2.9
168.03093	0.3
168.04315	3.3
224.06895	7.2
242.08055	1.5
281.24854	100.0
282.25070	0.8
506.32538	61.9
507.32443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23668	3.7
53.07045	3.1
53.97505	4.1
59.01155	2.9
59.01396	44.9
59.60861	3.5
61.98828	5.1
68.56203	3.7
71.01383	21.9
73.02923	4.6
85.02948	7.9
87.00879	4.7
89.02415	5.2
101.02435	4.5
108.88957	3.9
113.06052	4.0
116.92850	39.1
117.84187	4.3
117.92884	9.7
118.92688	9.7
119.01380	6.3
121.02924	17.9
128.03519	4.5
129.57132	3.6
132.02171	17.0
133.02966	8.6
134.03716	37.3
135.04532	15.0
145.02969	43.6
146.03711	7.6
147.04498	17.2
149.02419	57.4
149.09753	3.9
150.03218	7.7
160.01700	41.4
160.05330	8.9
161.02451	36.9
162.03256	58.6
163.04002	25.7
164.04770	49.8
165.01913	4.3
165.05511	4.0
167.03415	6.7
175.00357	37.1
175.03993	62.1
175.07683	7.4
176.04771	5.7
177.01918	45.5
177.05586	16.1
178.06482	5.8
178.81255	4.5
179.07239	4.2
180.04250	6.8
190.02716	100.0
190.06291	7.4
191.03513	15.5
191.07185	15.5
192.04262	19.2
193.05070	42.2
195.06622	5.6
205.05086	67.0
206.05811	19.3
207.06627	17.2
218.25624	4.2
221.08177	15.7
222.05923	4.6
223.06134	59.0
224.28616	4.1
235.06107	27.3
265.07135	57.3
295.08273	30.2
325.09457	25.9
329.14011	47.0
389.16107	40.5
392.08353	5.5
422.75043	4.3
435.00040	4.8
521.08777	5.6
563.17828	55.6
581.18835	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	581.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
57.03454	4.2
58.00602	3.9
58.45938	0.4
59.01384	100.0
68.80006	0.4
71.01377	51.0
72.99301	4.7
73.02926	1.0
83.01396	2.2
85.02941	12.2
87.00880	3.1
87.94545	0.5
89.02434	62.5
95.01363	3.8
99.00839	0.6
99.92603	0.8
101.02438	28.0
109.02965	0.7
113.02443	19.7
113.94305	0.4
116.92850	4.8
119.03486	25.2
120.99712	0.8
121.02976	1.1
123.00930	1.0
123.08128	0.5
131.03531	3.0
131.05035	1.9
137.02444	3.3
138.03267	3.1
143.03558	3.0
145.02969	0.8
147.04561	0.7
149.02509	2.6
149.04602	2.5
149.09720	1.1
150.03255	0.6
151.03943	4.0
152.04840	0.8
153.05597	2.0
158.03716	0.5
159.04578	3.2
160.01729	0.5
161.02480	0.6
161.04535	3.5
162.03249	0.8
163.04068	0.6
164.04829	0.8
174.03284	1.0
174.68314	0.5
175.00424	0.9
175.03983	9.8
176.04872	0.8
177.02054	0.8
177.05536	3.7
179.05626	10.9
184.03976	0.5
187.03999	8.9
188.04790	2.7
189.05586	3.5
190.02788	3.1
190.06335	5.0
191.07236	1.0
193.05182	1.0
195.13986	2.1
202.06424	3.4
203.07162	3.7
204.04411	1.1
204.07932	0.5
205.03261	0.6
205.05074	10.0
205.08832	3.0
207.06761	0.8
208.07428	0.7
217.08780	2.1
218.05988	0.8
219.06664	2.5
219.10382	0.9
220.07428	7.9
221.08269	0.5
223.06155	2.0
232.07521	0.7
233.08266	0.9
235.09758	4.7
239.12895	4.9
265.07242	0.9
309.07816	0.6
310.08362	0.6
313.10809	1.1
323.09665	0.5
325.10956	0.7
326.08246	0.7
341.10287	10.7
341.13748	0.6
353.10648	0.8
355.11966	1.0
356.12820	4.1
371.11621	1.3
371.15430	3.7
386.13953	1.0
389.16278	2.1
401.16025	39.5
402.17053	0.7
521.33612	2.1
563.17944	0.8
581.22626	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	581.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13626	0.2
52.88690	0.2
59.01382	11.3
60.01717	0.7
61.01805	1.5
61.98831	100.0
78.95898	5.4
79.95775	0.4
80.96473	1.4
82.96107	1.8
86.36485	0.2
87.77016	0.2
96.96972	0.3
96.97610	0.4
97.39199	0.3
114.82583	0.3
145.01242	0.3
152.99586	2.3
168.04358	0.3
173.35365	0.3
242.07983	0.5
279.23300	22.3
280.23633	30.3
281.23929	21.4
282.24243	10.0
337.52545	0.3
368.57495	0.3
485.81650	0.3
504.31387	1.2
505.31506	3.2
506.31577	7.7
507.31854	10.4
581.28284	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52657	0.2
54.82253	0.3
59.01384	8.5
60.01718	1.5
61.01811	1.3
61.98832	100.0
67.05682	0.2
67.65884	0.3
67.89914	0.3
72.41072	0.2
75.30398	0.2
78.95900	11.7
80.96313	2.0
92.11647	0.5
92.66228	0.2
100.58482	0.2
106.57266	0.2
115.85231	0.2
124.86959	0.2
152.99564	1.7
155.00032	0.4
168.04350	1.1
169.04640	0.4
193.07657	0.3
220.76369	0.3
224.06969	2.3
225.07370	1.0
226.07471	1.2
244.08391	0.3
279.23291	12.0
280.23618	17.4
281.23901	13.2
282.24188	4.7
423.76050	0.3
503.38132	0.2
504.30936	2.4
505.31497	3.0
506.31561	9.8
507.31851	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	581.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97304	1.0
51.99622	0.8
55.01892	1.4
55.68211	0.9
57.03458	4.7
59.01109	1.8
59.01395	49.4
61.54480	0.9
61.98838	2.0
62.65329	0.9
65.90391	1.0
68.58212	1.1
70.88243	0.9
71.01385	27.9
72.99297	1.1
73.02966	9.0
83.01392	4.9
85.02956	12.1
85.51492	0.9
88.33257	1.0
89.02451	10.7
95.01357	1.5
95.38176	1.1
99.00886	2.3
101.02434	17.4
111.00861	3.8
113.02435	12.5
119.03501	5.4
137.09714	0.9
161.04544	1.9
201.14928	1.1
210.03416	0.9
236.45255	1.0
293.04568	3.7
359.28122	4.9
521.33350	100.0
522.33868	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	581.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78824	1.3
54.82667	1.5
57.03434	1.9
58.00585	1.6
59.01101	3.0
59.01382	54.8
59.01680	1.9
71.01384	22.0
73.02928	3.4
77.77676	1.5
79.07108	1.5
83.01366	3.2
85.02940	10.0
89.02419	18.2
101.02415	21.3
104.44245	1.7
111.00874	2.8
112.08939	1.4
113.02439	11.9
116.92821	2.1
119.03519	6.3
125.09696	2.1
161.04468	2.5
172.55263	1.5
188.78442	1.7
200.05162	1.7
296.13287	1.8
359.27921	3.9
362.19952	1.8
503.32095	3.0
521.33331	100.0
522.33844	2.8
524.24731	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	581.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	5.5
57.03456	2.0
58.00582	1.2
59.01390	33.7
71.01373	20.6
73.02942	9.9
73.59004	0.9
74.79124	0.9
75.00896	1.2
80.55453	1.0
82.49628	1.0
83.01402	3.9
85.02965	12.0
89.02448	1.7
94.35747	1.1
95.01392	1.5
99.00869	4.1
101.02438	20.1
110.29694	1.0
110.52360	1.1
111.00870	2.4
113.02412	8.2
137.09718	1.5
140.53375	1.1
188.79608	1.1
213.18686	1.6
226.20840	1.2
239.94003	1.3
359.28192	4.2
463.54941	1.5
521.33368	100.0
522.33868	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	581.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	0.2
64.34478	0.3
75.06977	0.3
76.57566	0.3
78.95876	0.3
81.59078	0.3
100.82696	0.3
169.42534	0.3
215.96829	0.3
279.23291	100.0
280.23694	1.4
342.01199	0.3
368.94504	0.3
581.45569	45.8
582.45996	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	581.479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15876	0.2
55.68095	0.2
59.01391	0.3
64.34174	0.2
68.90862	0.2
68.91736	0.2
116.92859	0.3
227.20166	100.0
228.20558	0.9
604.72308	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61132	0.1
54.37012	0.2
59.01367	0.2
61.98822	0.4
62.18859	0.2
72.36118	0.2
92.12456	0.4
96.38531	0.2
127.65435	0.2
144.77690	0.2
169.02742	0.2
195.09163	0.2
207.16325	0.2
227.20171	100.0
228.20496	1.4
285.67456	0.3
338.63730	0.2
555.95325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	6.6
59.01378	2.9
64.95239	7.9
68.01194	1.4
70.02965	7.2
71.01368	5.9
71.05018	10.6
74.00687	9.7
74.02474	19.0
81.04566	1.4
82.02971	11.3
83.64520	1.5
85.04053	3.5
86.02463	8.0
87.05648	3.7
89.02435	1.8
90.29680	1.5
96.80594	1.6
97.04069	16.0
99.04540	2.2
99.05621	13.9
100.00376	20.6
102.00174	9.0
102.05573	2.2
105.99680	16.8
107.06149	2.0
116.01768	1.8
125.07186	2.3
126.01936	1.4
127.05154	2.3
128.01749	8.7
128.03531	100.0
128.04489	3.6
131.02831	1.5
135.05618	7.9
141.03052	2.9
141.06702	1.9
143.03494	2.1
143.04620	55.5
146.04620	3.0
146.08243	47.6
147.05826	1.5
151.05153	3.6
153.06683	7.6
160.00729	3.4
164.08345	1.7
166.09805	2.6
169.06192	19.9
175.01837	21.2
179.04639	20.4
181.06273	1.7
185.03932	2.9
192.07730	2.3
197.05688	7.8
197.08295	2.4
203.04970	3.1
210.08893	14.0
217.11963	5.9
254.07869	17.0
272.08887	60.3
275.10843	10.8
277.12335	6.4
286.05072	9.1
304.06097	73.6
304.09464	3.3
309.09448	11.8
453.14883	2.1
521.19049	6.5
522.19098	8.8
564.18103	10.1
582.19153	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77066	0.6
51.06749	0.6
53.26461	0.6
54.43552	0.6
57.44002	0.5
58.25077	0.6
59.01340	0.9
59.01881	0.6
61.98816	1.0
66.84857	0.5
78.95904	28.4
87.14985	0.7
93.20181	0.7
109.81288	0.8
152.99574	4.4
168.04337	4.2
171.08948	0.8
224.06941	9.6
242.08092	1.0
276.25864	0.7
307.26468	100.0
387.19446	0.8
420.14307	0.8
454.26987	0.8
522.22003	1.0
532.34167	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	15.1
61.97184	0.1
71.39486	0.1
78.95898	5.2
80.96512	0.1
84.24103	0.1
129.45370	0.1
134.15829	0.1
148.67566	0.1
152.99594	1.3
168.04292	1.6
224.06860	1.0
242.07912	1.8
265.25342	0.2
283.26431	100.0
284.26752	1.7
508.34103	28.9
509.34271	0.6
523.30615	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	20.1
78.95900	17.6
78.96364	0.5
102.32993	0.3
122.98588	0.4
151.69435	0.4
151.70560	0.3
152.81427	0.3
152.99530	2.5
168.04272	2.9
189.16142	0.4
224.06953	8.2
242.07970	1.7
283.26440	100.0
284.26706	1.7
414.60513	0.5
508.34122	67.3
509.34436	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	583.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16272	0.1
59.01380	0.6
65.35797	0.1
68.45670	0.1
69.73552	0.1
76.12947	0.1
81.03445	0.1
83.05026	0.8
105.85066	0.1
137.71393	0.1
175.64391	0.1
193.74278	0.1
235.20650	1.0
253.21729	100.0
254.22032	1.1
260.55435	0.1
328.00381	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89622	0.1
51.69664	0.1
52.74233	0.1
53.21813	0.1
55.81643	0.1
61.41401	0.1
61.98824	0.3
62.85183	0.1
73.02934	0.5
81.63715	0.1
97.52087	0.2
99.92570	6.0
110.88735	0.1
114.93414	0.2
116.92849	100.0
116.97227	3.0
117.01928	0.7
117.92854	2.7
119.71650	0.1
222.56036	0.1
227.20151	0.2
388.05057	0.2
452.27783	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48982	0.3
57.47288	0.3
59.01364	0.4
61.98805	0.7
78.95896	21.2
88.54802	0.4
96.09236	0.4
101.00423	0.4
143.04565	0.4
152.99576	3.8
168.04262	4.8
183.92525	0.4
204.52184	0.4
224.06955	6.8
242.07860	1.4
296.31723	0.4
298.91553	0.5
309.28006	100.0
310.28482	0.8
382.17535	0.4
461.87469	0.4
534.35699	58.5
535.36176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2328
Annotation	Lancifodilactone J
Peak:m/z	Relative Intensity
51.46362	1.0
57.03444	1.3
59.01385	11.5
61.98824	2.7
71.01395	9.4
85.02910	1.8
89.02429	8.2
92.12403	1.7
92.66243	1.2
101.02444	5.7
103.08710	1.3
110.61388	1.4
113.02430	6.3
116.92828	6.1
119.03476	1.7
131.03555	1.6
161.04503	1.9
179.05594	2.6
226.22499	1.5
267.42191	1.4
280.95578	1.4
301.62170	1.4
368.64447	1.6
549.25531	26.5
585.23193	100.0
586.22375	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	585.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.1
60.01721	0.4
61.01794	0.5
61.98832	100.0
63.78301	0.3
76.57557	0.3
78.68108	0.4
78.73049	0.3
78.95892	6.6
78.96258	0.4
129.50690	0.4
139.31476	0.4
152.99658	0.4
163.49385	0.4
219.08600	0.4
224.07088	1.6
283.26413	9.4
284.26740	14.7
284.29636	0.6
285.23987	0.5
285.27039	10.3
286.27264	4.3
308.69684	0.4
508.34219	2.3
509.34357	3.1
510.34702	7.3
511.35120	10.3
538.31323	0.4
590.21136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.4
57.03431	2.1
58.00589	1.2
59.01384	69.8
62.84945	0.8
71.01377	27.4
73.02951	10.7
79.95328	0.8
83.01357	4.7
85.02949	13.1
86.00067	1.0
87.00832	1.4
89.02408	1.9
92.84161	1.2
95.01350	1.3
99.00874	1.2
101.02428	17.0
102.10561	1.0
108.65033	0.9
113.02462	12.2
161.04561	0.9
186.94928	1.1
199.03548	1.0
352.45651	1.3
457.31921	2.5
501.30841	2.1
543.31775	100.0
544.31927	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91000	0.8
54.82778	1.0
55.01879	1.0
57.03455	8.6
59.01373	10.8
61.98841	1.5
67.91337	1.1
71.01376	27.4
73.02940	22.9
75.00851	1.3
83.01373	1.8
85.02943	49.9
89.02441	6.5
99.00867	1.4
101.02427	20.1
113.02431	26.1
115.92072	1.3
116.92844	15.8
117.03469	1.6
122.02430	4.2
122.46306	1.1
125.02398	1.2
130.08743	1.1
130.49057	1.0
131.03467	18.2
131.98335	1.1
132.02139	8.4
133.02962	6.9
134.03726	51.9
137.02490	2.5
149.06053	12.1
160.01646	73.3
161.02248	1.6
175.03987	100.0
176.04684	1.4
177.01901	1.4
178.02666	9.4
179.03519	1.2
182.96704	1.0
189.74399	1.1
191.07152	4.9
193.05055	70.8
194.05440	1.7
207.06630	2.5
217.05132	1.5
235.06194	9.6
249.80298	1.1
265.07187	32.1
307.08313	2.2
308.50195	1.1
325.09296	53.4
433.99084	1.3
439.12512	31.8
440.12607	1.3
457.13474	10.1
499.14175	1.3
511.14584	11.9
553.32074	7.3
578.83405	1.3
589.14581	1.6
589.30389	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	589.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55430	0.9
54.83586	1.1
56.82503	0.9
57.03441	4.2
59.01378	15.6
65.64256	1.0
66.56229	0.8
71.01375	22.0
71.86210	1.0
73.02936	19.1
83.01350	1.9
85.02943	42.6
89.02441	4.0
101.02437	16.2
113.02434	21.5
116.92820	8.3
117.03445	2.4
119.03516	1.5
128.99161	1.0
131.03470	14.4
132.02173	6.9
133.02916	2.1
134.03720	58.3
137.02432	1.9
149.06039	10.9
160.01640	69.7
161.02493	1.4
175.03983	100.0
176.04460	1.3
178.02676	8.8
191.07155	2.0
193.05055	70.8
217.05055	1.3
232.39018	1.3
235.06078	6.7
265.07129	30.5
307.08408	2.3
325.09286	52.9
367.21194	6.2
369.79962	1.1
427.70932	1.2
439.12457	30.6
457.13617	20.5
479.46451	1.3
511.14548	13.9
553.32458	1.5
589.29779	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	589.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58648	0.4
57.70269	0.4
59.01381	0.7
60.26036	0.3
62.29025	0.5
73.74053	0.4
75.00865	3.3
78.95907	23.4
82.57259	0.4
92.99035	0.4
96.76802	0.5
96.96959	1.1
102.82946	0.4
116.92844	0.9
119.19766	0.4
127.41785	0.5
152.99585	37.0
171.00626	2.2
223.72208	0.4
227.03297	2.8
245.04340	1.7
245.15956	0.5
279.23300	100.0
280.23560	0.9
311.15979	0.5
507.27313	67.3
508.27411	0.6
596.74841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64869	0.3
59.01373	0.8
61.98800	0.4
69.06993	0.3
73.10228	0.3
78.95475	0.6
78.95898	13.6
79.82192	0.3
85.90004	0.4
96.96958	0.8
99.92596	0.3
116.92854	0.7
134.22061	0.3
152.99582	19.0
171.00655	1.7
204.78891	0.3
227.03294	1.8
243.20770	0.3
245.04378	0.7
247.32735	0.3
279.23294	100.0
280.23672	1.8
287.71918	0.3
295.22998	0.4
473.39529	0.4
498.96713	0.3
507.27295	54.5
508.28119	0.7
564.77557	0.4
572.63666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94443	0.6
54.82842	0.5
57.80156	0.6
59.01374	1.1
61.98832	1.2
66.42662	0.7
78.95908	24.1
96.96956	1.4
116.92852	1.7
152.27147	0.7
152.99574	32.8
171.00664	1.4
227.03317	3.2
276.59210	1.1
279.23288	100.0
280.23801	1.4
507.27301	73.7
508.27707	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	589.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95045	1.3
57.03438	1.9
58.00600	1.1
59.01381	71.1
64.34663	1.5
71.01372	36.0
73.02944	2.2
74.06828	1.3
83.01380	1.7
85.02948	6.9
88.95882	1.2
89.02435	50.1
95.01366	2.1
96.96004	1.6
99.92564	6.6
101.02425	20.6
113.02429	15.1
115.92070	2.1
116.92844	36.6
117.92852	1.7
119.03474	20.8
119.24581	1.5
128.03571	1.3
134.03720	3.4
136.89114	1.7
137.02457	1.9
143.03514	1.9
158.55894	1.3
160.01662	8.7
161.04565	2.9
175.04008	11.5
179.05603	31.9
193.05069	3.1
257.18912	1.5
285.18600	2.8
287.20331	1.9
331.19000	3.1
349.20142	7.0
367.16605	3.5
367.21237	100.0
387.47803	1.5
589.21442	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	589.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10993	0.3
54.82758	0.4
55.01871	2.1
57.03443	2.0
58.47641	0.3
59.01385	100.0
61.80527	0.4
62.55562	0.4
64.93063	0.4
71.00987	0.6
71.01377	16.7
73.02939	5.6
83.01381	3.5
85.02944	10.6
86.00116	0.5
87.00846	0.6
89.02428	2.5
95.01362	1.8
96.95984	0.8
99.00866	1.9
101.02438	10.0
113.02436	10.1
119.03545	0.6
123.79382	0.5
137.09715	5.0
137.65854	0.4
159.03000	0.9
161.04541	3.3
197.15450	0.5
213.18597	1.9
232.80235	0.5
241.78720	0.5
246.59787	0.5
258.27023	0.5
357.22803	2.9
375.24164	0.9
376.14291	0.5
467.30237	3.6
485.31238	33.0
486.31546	0.6
503.32309	13.9
545.33191	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	4.0
57.03466	3.5
57.86887	0.4
58.00607	0.6
59.01392	67.5
69.03452	0.7
69.18121	0.4
71.01387	26.7
72.99308	1.1
73.02947	9.4
83.01392	4.6
85.02462	0.8
85.02954	17.3
86.00076	1.6
87.00855	0.8
89.02452	4.0
95.01411	3.1
99.00879	3.3
101.02442	16.5
111.00890	0.6
112.78806	0.4
113.02438	10.8
119.03475	0.6
125.02448	0.6
128.32756	0.4
129.22481	0.5
137.78304	0.5
159.02959	0.5
161.04562	2.2
174.48837	0.4
181.89449	0.4
185.15443	2.0
239.10936	0.5
247.69615	0.4
377.77029	0.5
459.33423	2.4
485.31302	2.5
503.32446	2.7
545.33350	100.0
546.33563	3.5
606.08673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82544	0.3
55.27468	0.3
57.03450	0.5
59.01105	0.6
59.01389	14.9
59.38628	0.3
60.94707	0.3
61.98843	2.4
69.03431	0.4
71.01385	13.9
73.02960	3.0
77.76255	0.3
83.01383	2.4
85.02955	4.9
86.00060	0.4
86.03326	0.3
87.00885	3.2
89.02433	7.6
92.12341	0.4
95.01368	1.6
97.02946	3.8
99.00881	0.8
100.57385	0.3
101.02437	11.3
113.02435	6.6
115.04000	0.8
116.92836	0.5
119.03490	3.0
122.02469	100.0
123.02795	0.8
123.04475	0.4
125.02421	1.4
128.03603	0.5
131.03514	3.8
136.04042	0.8
143.03513	2.9
161.04539	4.9
161.08286	0.4
167.03505	0.6
177.01952	0.7
179.05617	3.0
181.05098	0.4
184.88565	0.3
209.04608	0.7
221.06676	4.0
272.47339	0.4
317.70847	0.4
324.96640	0.3
368.10034	0.4
371.09927	0.5
386.10623	0.6
424.75259	0.4
433.13150	0.5
588.34937	0.4
590.20972	44.2
591.21527	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	590.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38150	1.5
59.01373	1.7
61.00625	1.5
61.98824	7.1
71.01424	1.5
74.79050	1.5
75.00869	22.1
78.95897	100.0
84.76626	1.4
96.95989	3.1
96.96943	6.4
99.92567	8.1
115.50693	1.4
115.92073	20.7
116.92824	8.6
152.99586	57.2
179.89223	13.7
180.90005	8.2
181.90826	7.5
196.89487	39.3
212.34567	1.8
235.91724	1.9
279.23230	11.5
285.46561	1.5
291.96790	1.9
409.17709	2.0
433.23590	6.7
516.15747	6.9
572.20892	12.4
590.22241	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	591.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67397	0.1
60.38126	0.1
72.99306	1.7
75.00865	100.0
87.64336	0.1
92.12357	0.3
132.98177	0.1
141.49542	0.2
151.58243	0.2
167.95647	0.2
279.23431	0.3
456.08984	0.2
509.29004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15666	0.1
59.01382	0.2
65.99543	0.1
69.58698	0.2
72.99304	1.4
75.00867	100.0
76.01195	0.2
81.84122	0.1
83.36608	0.1
96.96001	1.5
147.22247	0.1
157.21017	0.1
232.62469	0.2
279.23264	0.3
281.24893	0.7
297.24530	0.3
316.89264	0.2
344.08963	0.2
379.47980	0.2
509.28632	0.2
611.89276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38892	0.6
55.01869	1.2
57.03451	3.1
58.85570	0.6
59.01384	100.0
61.70554	0.6
69.03465	1.1
71.01027	1.1
71.01381	16.8
72.99300	1.0
73.02937	5.0
77.24123	0.7
81.34604	0.6
83.01384	5.2
85.02948	13.4
86.00053	1.0
87.00877	1.0
89.02438	3.9
93.05959	0.8
95.01353	1.2
97.02925	1.1
99.00871	1.4
101.02428	8.6
111.00900	0.8
112.01646	0.7
113.02432	10.1
119.03516	1.1
124.01609	0.8
125.02435	0.7
131.63554	0.7
136.64172	0.7
143.08884	0.7
159.02924	0.9
161.04570	1.3
239.45946	0.7
248.47029	0.7
295.26361	0.9
343.28207	0.9
399.27603	0.8
408.05511	0.8
419.66653	0.8
443.30258	0.8
461.31290	0.8
487.32867	28.3
488.33026	1.0
505.33865	32.7
543.61090	0.8
547.34711	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	591.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33584	0.3
59.01112	0.6
59.01385	12.1
63.03223	0.3
71.01380	3.2
75.82235	0.3
78.95869	0.4
83.05028	0.5
85.02956	0.5
87.00903	0.3
89.02431	3.9
92.12390	0.7
96.96076	0.4
101.02448	4.3
103.23134	0.3
113.02430	2.3
113.09696	1.3
119.03461	0.7
161.04546	2.0
171.10310	3.6
195.13922	15.9
247.78906	0.3
253.06592	0.6
253.09297	18.6
277.21753	20.1
277.24796	0.7
295.22803	100.0
296.23206	1.7
344.71796	0.4
387.95377	0.4
477.07156	0.4
531.31506	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.2
56.73123	0.8
57.03454	2.0
59.01393	100.0
71.01390	17.3
73.02946	5.8
83.01389	3.7
85.02957	12.1
87.00877	1.3
87.55600	0.9
89.02448	1.8
92.11706	1.0
95.01413	1.6
99.00854	2.1
101.02452	11.3
111.00922	0.9
113.02473	10.2
123.74694	0.8
141.38931	0.8
156.87386	0.8
159.03024	1.1
161.04639	1.4
197.15405	1.2
213.18640	1.3
242.27975	1.0
245.30775	0.8
269.03604	0.9
323.70004	0.9
343.28647	1.2
469.31766	4.2
487.32828	53.6
505.33795	16.6
547.35022	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	591.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05766	0.4
55.01886	2.2
56.45957	0.5
57.03451	2.3
59.01385	100.0
65.15603	0.4
71.01378	16.9
72.99299	0.6
73.02947	5.4
73.12617	0.5
76.74742	0.5
79.25417	0.4
79.89449	0.4
83.01407	3.0
85.02947	11.3
87.00887	0.9
89.02457	2.3
95.01400	2.2
99.00879	2.1
101.02434	9.4
104.69293	0.5
107.61406	0.5
113.02444	11.4
119.03496	0.9
121.96719	0.5
150.56395	0.5
161.04616	2.9
163.93282	0.5
190.98656	0.5
191.15976	0.5
197.15488	0.8
213.18712	2.3
284.56125	0.8
313.27457	0.6
325.27771	0.6
343.28961	1.0
469.31552	6.4
487.32809	60.6
488.33319	0.9
505.33981	18.0
505.40906	1.0
547.35199	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	591.339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51915	0.8
55.01866	0.9
57.03428	0.8
59.01384	100.0
71.01376	20.8
73.02946	11.2
83.01400	2.0
85.02949	9.7
89.02450	12.9
95.01341	1.4
100.56339	0.8
101.02413	11.6
113.02454	15.8
119.03477	5.2
124.29749	0.9
134.22118	1.1
146.03847	0.8
161.04558	4.6
177.98961	0.9
179.05626	5.4
186.39632	0.9
243.58852	0.9
432.80472	1.1
466.46484	1.1
487.32852	25.8
505.33813	10.6
526.61603	1.2
547.35223	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	591.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41607	62.4
61.98824	87.9
84.86571	73.6
87.82648	73.1
92.65833	91.4
94.32288	76.4
99.92523	82.7
130.57539	86.5
154.47607	82.1
160.87041	88.2
162.03752	96.0
279.97440	87.3
363.18933	100.0
440.32150	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43111	0.1
55.41801	0.1
57.51980	0.1
59.01373	0.2
61.98822	0.1
76.03140	0.1
77.03930	0.2
78.95881	0.2
84.16785	0.1
88.45353	0.1
91.01870	0.2
92.20561	0.2
93.03500	0.2
97.04373	0.1
120.02158	1.0
121.02944	100.0
122.03252	0.2
126.33215	0.1
136.01659	0.5
165.01924	2.8
167.25803	0.1
180.05811	0.6
181.05057	0.3
181.06557	2.9
197.06068	2.2
199.07814	0.2
207.04520	0.8
207.08177	0.3
209.04565	31.7
222.92134	0.1
223.03979	0.6
225.05586	2.1
251.07089	0.2
257.09851	1.0
285.09192	0.2
296.23138	0.5
313.07224	2.3
348.89960	0.1
357.06207	0.6
373.10757	0.3
383.07715	0.9
417.09778	1.2
505.11475	2.3
549.10504	4.6
593.13086	10.2
600.94495	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19735	0.6
53.79273	0.6
53.79559	0.6
59.01382	5.5
61.98800	0.9
63.02381	0.9
64.34315	0.6
73.02943	0.7
75.00888	0.8
81.63483	0.7
83.01389	1.1
85.02937	0.8
87.00875	0.9
89.02406	1.7
93.03423	1.2
99.92566	1.3
101.02409	1.6
107.01384	4.0
109.02902	1.2
113.02431	1.4
116.92875	5.9
132.02141	0.8
135.00867	1.8
142.83859	0.6
143.04964	1.1
149.09695	1.1
150.03235	0.8
151.00366	3.9
154.79022	0.7
157.06552	0.8
159.04486	2.5
163.00366	3.8
183.04532	1.2
185.06087	4.2
187.04013	4.9
189.05580	1.3
199.04065	1.6
211.03993	3.7
213.05521	1.3
227.03500	57.7
229.05046	17.5
239.03462	3.9
241.05057	1.7
255.02975	86.5
256.03827	6.9
257.04517	9.3
262.70148	0.8
284.03262	89.9
285.04050	100.0
286.04684	1.2
533.22412	3.8
593.15155	90.9
594.15393	3.8
620.65332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07764	0.7
57.03441	0.8
59.01381	4.7
61.98813	1.7
65.69444	0.9
71.01367	1.1
72.58775	1.0
78.95910	84.5
95.27329	0.9
96.96957	21.7
106.81931	0.9
108.73217	0.9
109.25352	0.9
111.73133	0.8
112.54338	1.1
116.92818	2.2
121.02937	1.5
125.09722	1.0
140.10786	1.0
150.98103	1.4
152.99586	72.5
197.89766	0.9
223.00183	4.1
241.01212	41.7
244.03899	1.0
259.02359	1.2
277.21722	79.5
297.24292	4.3
315.04922	8.7
413.20950	5.5
455.53860	1.3
593.27405	100.0
594.27539	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	593.479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	0.1
59.01384	3.5
59.97556	0.1
61.93612	0.1
71.01377	0.5
78.95884	0.4
123.80319	0.1
125.09682	0.2
140.34161	0.1
144.77298	0.1
159.52954	0.1
221.19135	1.0
239.20172	100.0
240.20535	1.1
366.00500	0.1
370.48624	0.1
445.77634	0.1
543.59296	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28073	0.6
53.34834	0.6
83.95861	0.8
92.29127	0.7
152.05345	0.9
185.38632	0.9
220.18523	0.9
283.26434	56.6
309.28018	100.0
310.28418	1.5
430.28613	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13353	0.6
53.37424	0.6
67.88956	0.8
72.99303	1.4
75.00868	100.0
78.95886	4.6
137.72089	0.9
152.99597	1.0
214.57808	0.8
279.23300	15.7
280.99783	0.8
312.15222	0.8
357.23114	0.9
504.30942	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	594.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36922	1.0
59.01384	28.2
61.98833	35.4
70.88280	1.1
71.32626	1.1
78.95896	35.1
102.39659	1.2
104.26732	1.2
113.09706	1.7
121.02963	2.7
131.99092	1.5
152.99559	3.0
168.04300	7.1
183.14020	1.5
190.45380	1.3
195.13927	24.3
224.06876	12.4
242.08028	2.2
260.31784	1.3
277.21701	22.6
295.22800	69.6
456.17258	1.5
520.30524	100.0
521.31061	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	594.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01384	24.4
61.98813	2.0
65.19840	0.4
76.54229	0.4
78.95898	30.4
80.96546	0.4
96.96082	0.5
112.29572	0.5
113.09692	2.3
122.98505	0.7
152.99591	5.9
157.08707	0.9
168.04324	5.9
178.12471	0.4
179.14415	1.0
181.12445	0.6
181.80803	0.5
195.13910	24.8
224.06949	11.9
242.07941	3.0
277.21735	23.6
277.24802	0.8
295.22803	73.4
391.80310	0.4
449.23114	2.2
520.30493	100.0
521.30762	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	594.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01113	1.1
59.01390	27.5
61.98821	1.6
62.68578	0.6
65.13682	0.5
65.22280	0.5
69.05540	0.6
72.60484	0.6
78.95903	35.1
80.96507	1.2
83.41358	0.6
99.83479	0.6
101.57899	0.6
106.15016	0.6
125.09689	0.8
127.11272	0.9
141.12862	0.7
141.69113	0.6
152.99634	5.1
153.46385	0.8
168.04305	7.5
171.10263	41.1
183.22729	0.6
198.19701	0.7
224.06923	11.7
242.08026	2.9
276.42786	0.6
277.21722	49.7
278.22067	1.0
285.89951	0.7
293.21176	0.8
294.21469	0.8
295.22784	54.8
352.13089	0.7
389.31604	0.6
397.28778	0.6
449.23016	1.1
454.61850	0.6
520.30475	100.0
521.30737	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	594.378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20292	0.4
59.01387	18.0
61.98827	1.4
78.95902	16.5
101.74345	0.5
104.93150	0.6
107.12524	0.6
112.52651	0.6
152.99602	2.9
168.04323	4.0
205.89407	0.6
219.86368	0.5
224.06927	8.5
242.07964	1.1
284.68622	0.7
295.26425	100.0
295.54410	0.5
296.26788	2.2
297.45309	0.6
320.90506	0.6
381.80652	0.5
520.34125	53.8
521.34448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53783	1.5
55.01881	3.9
56.82600	1.7
56.82854	1.7
57.03455	1.7
58.00591	3.0
59.01384	100.0
60.19202	1.8
69.03461	3.4
71.01376	93.2
71.56692	1.8
72.99284	8.6
73.02941	28.4
83.01363	4.5
85.02953	26.3
87.00848	15.0
89.02440	88.8
95.01366	3.9
97.02931	9.2
99.00887	7.7
101.02429	83.9
108.02164	11.4
109.02961	4.0
111.00882	2.0
113.02431	33.9
118.50136	1.9
119.03482	32.7
125.02438	41.8
131.03473	14.2
143.03473	12.5
161.04544	28.8
176.35175	2.0
179.05617	64.0
221.06667	27.9
226.53125	2.1
245.06642	2.9
322.72897	2.2
323.10187	2.1
341.10898	2.4
383.11838	7.6
384.64606	2.5
407.11975	2.8
425.12912	3.5
433.13824	2.7
485.15021	11.0
595.18805	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87478	1.4
54.82724	1.4
55.64801	1.5
57.03459	14.9
59.01116	3.9
59.01386	83.4
61.98832	2.5
63.65332	1.4
64.34573	1.7
71.01377	31.7
72.99307	2.4
73.02936	3.2
82.68303	1.4
83.01347	2.0
83.40314	1.8
85.02934	9.3
89.02427	21.8
95.01346	3.8
95.14088	1.9
99.04509	3.4
99.38380	2.0
101.02434	19.4
111.00840	2.7
113.02422	16.4
116.92854	14.4
119.01367	6.6
119.03486	3.4
121.02926	3.7
123.00886	2.2
125.02405	2.1
135.04485	2.4
135.38235	1.7
138.03215	3.9
139.00401	2.3
140.07854	1.6
147.04472	3.8
147.53941	1.7
149.02460	29.1
151.00392	8.0
152.01195	2.1
153.01910	8.0
158.03699	3.1
159.04509	4.0
160.05309	4.4
163.03986	10.4
164.04785	24.4
165.01938	1.9
165.05571	2.4
166.02641	18.7
173.06055	4.3
174.03174	2.8
175.00423	19.2
175.03979	11.4
175.07616	4.3
177.05592	1.7
179.07161	3.6
181.05083	23.2
188.04758	4.0
190.02710	50.3
190.06316	7.2
191.03468	10.7
201.02003	2.0
202.02878	2.7
203.03500	11.2
205.05084	34.5
205.08693	10.9
206.05800	17.7
207.03024	6.7
208.03783	3.8
217.05016	8.1
218.05978	13.5
221.08226	22.3
222.05438	2.0
223.06152	34.8
233.08101	13.3
235.02658	2.1
237.07715	3.1
239.12943	2.1
250.04633	5.8
265.04483	2.3
265.07162	59.2
295.08237	13.7
325.09521	13.6
327.09033	2.4
354.11246	2.0
355.08292	10.3
370.10583	6.8
385.12906	33.3
391.27075	2.2
395.41147	1.9
415.13974	14.0
535.31360	28.1
595.20398	100.0
596.20721	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	595.2896
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
54.05937	0.3
55.32036	0.3
58.53974	0.3
78.95897	63.4
83.51917	0.3
96.96951	16.1
139.09650	0.4
150.97964	0.6
152.99582	57.8
158.13733	0.4
183.27223	0.4
223.00130	2.0
241.01196	32.4
259.35764	0.4
261.22110	0.7
279.23294	81.7
280.23590	1.5
302.05832	0.4
315.04892	8.2
415.22540	4.3
595.28961	100.0
596.29181	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	596.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21985	0.3
57.32310	0.3
59.01385	24.2
60.38239	0.3
61.98830	0.5
65.73472	0.3
70.24462	0.3
78.95897	32.6
80.96500	1.3
94.98067	0.4
96.96954	0.3
111.08090	0.3
113.09681	0.8
116.92804	0.3
122.98496	0.5
132.07545	0.3
146.84659	0.3
152.99597	5.3
155.68823	0.3
168.04289	6.8
183.13895	71.0
184.14194	0.4
224.06949	13.4
242.08029	2.9
279.23285	10.3
297.24362	91.4
298.21619	0.4
298.24805	2.1
372.43039	0.3
402.07709	0.3
451.24915	0.4
522.32050	100.0
523.32404	3.3
537.28406	0.4
596.27954	0.7
597.28937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09705	0.4
59.01383	19.5
61.98829	1.0
75.69146	0.4
78.95899	21.1
80.96517	1.8
86.81435	0.4
152.99596	2.6
159.67418	0.4
168.04298	4.4
183.13910	9.0
217.70213	0.5
224.06912	7.9
242.08023	2.1
251.23805	1.0
257.36182	0.5
263.57410	0.4
279.23355	2.4
295.22876	0.8
297.24362	100.0
298.24747	0.9
522.32031	70.2
523.32385	0.8
596.28204	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	596.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.2
61.98843	8.9
71.01386	1.9
77.71589	0.8
81.03461	11.5
83.05032	42.9
85.02969	1.4
91.03279	0.9
92.12347	1.9
100.07679	6.5
101.02438	1.3
116.92831	6.5
128.03490	1.2
193.05205	0.9
199.18193	10.9
224.17833	1.7
225.16113	8.6
243.17162	28.8
353.20871	6.2
380.16138	1.8
450.34659	1.1
469.33807	9.6
536.39191	1.1
537.32709	1.9
579.37537	1.6
596.25287	3.5
596.40338	100.0
597.40466	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	596.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.3
55.99003	0.1
59.01393	0.2
67.93401	0.1
69.35340	0.1
78.66090	0.2
83.22321	0.2
84.02157	0.2
116.92822	0.3
155.19397	0.2
197.19124	0.7
208.44415	0.2
221.19188	0.8
223.20688	4.0
225.22253	56.9
226.22562	1.4
250.40965	0.2
252.51582	0.2
253.21695	1.4
269.21161	0.3
271.22800	100.0
272.23190	2.7
400.60587	0.2
426.61237	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.1
55.87226	0.3
57.03238	0.4
57.03455	6.3
58.00590	0.4
59.01387	25.0
61.98823	2.0
68.99798	0.5
69.03439	1.8
71.01382	32.7
72.99305	6.0
73.02938	5.4
73.61423	0.4
75.00463	0.9
75.00872	25.1
80.87355	0.4
81.03429	2.0
83.01386	3.8
83.05039	3.4
85.02949	30.5
86.03273	0.5
87.00871	9.5
89.01969	0.5
89.02449	10.7
95.01370	2.9
95.77165	0.4
97.02930	2.7
99.00877	8.7
101.02436	10.0
105.60227	0.4
111.00866	2.3
113.02447	25.4
115.00341	1.9
116.92834	0.9
117.01914	1.1
125.02441	3.9
131.03481	4.9
137.09729	0.5
149.04558	0.7
149.09743	4.2
153.02019	0.4
153.44907	0.6
157.01344	0.5
161.04619	0.8
172.58199	0.5
173.04588	0.6
173.88495	0.5
175.02438	1.9
243.17113	2.0
359.21448	0.5
537.32690	4.6
596.40900	3.9
597.24121	100.0
597.40424	4.3
598.24481	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	597.3049
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
51.54379	1.0
51.75145	1.0
52.29368	1.0
55.16993	1.0
61.98828	1.4
63.39025	1.0
78.95896	81.5
90.30669	1.2
96.96951	18.4
129.48747	1.3
152.99580	73.9
182.56587	1.2
208.65750	1.5
223.00235	4.8
227.37137	1.2
240.98970	2.0
241.01219	36.9
244.50079	1.3
281.24869	100.0
305.15378	1.2
315.04861	10.4
417.24347	1.3
457.51831	1.2
550.27209	1.4
597.30554	98.6
598.30823	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3052
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
51.76493	0.6
54.34230	0.6
55.19305	0.6
59.36642	0.6
61.72502	0.6
69.06288	0.6
71.00645	0.7
78.95900	75.7
82.95414	29.8
96.96959	18.7
104.36279	0.9
112.50685	0.7
152.99590	68.0
166.76198	0.8
223.00136	1.1
224.46484	0.8
241.01227	36.8
245.08652	0.8
255.23416	0.9
279.23361	1.1
281.24875	88.2
282.25308	3.5
315.04938	7.6
330.15948	0.8
417.24075	3.0
597.30573	100.0
598.31128	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	597.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.4
57.03455	3.6
58.00597	0.7
59.01387	41.0
60.45104	0.4
61.98584	0.3
61.98841	4.7
65.60302	0.3
69.47071	0.3
71.01382	29.7
72.01664	0.4
72.99300	0.8
73.02946	12.5
75.00863	0.5
76.57888	0.4
81.06396	0.4
83.01382	5.4
85.02466	0.7
85.02948	16.4
86.00089	0.4
87.00856	2.1
87.49626	0.3
89.02445	10.2
95.01373	4.0
99.00878	3.7
101.02438	17.3
111.00900	2.4
113.01712	0.5
113.02449	11.0
116.92924	0.3
119.03484	3.7
125.09704	0.6
129.01933	0.5
137.09732	2.9
143.03528	0.6
153.09236	0.5
155.10799	0.5
157.12379	0.4
159.03004	0.9
161.04539	2.9
169.12395	0.4
171.13913	0.8
174.70636	0.4
178.52948	0.4
179.05638	0.4
183.13792	0.5
190.02715	0.5
195.49551	0.4
201.14963	5.4
215.63087	0.4
251.72269	0.4
319.17712	0.7
328.97659	0.4
337.67151	0.4
375.27493	6.0
413.62207	0.4
433.28284	0.5
519.31854	0.7
537.32855	100.0
538.33423	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	597.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18530	0.2
52.80671	0.1
55.45839	0.2
58.02971	0.4
59.01377	0.9
61.98829	0.8
69.82136	0.2
71.01384	0.3
72.04546	0.2
80.14222	0.2
81.03453	18.1
83.05026	57.6
92.12302	0.2
100.07683	9.6
101.02425	0.2
108.04575	0.3
112.27110	0.2
114.81418	0.2
119.72598	0.2
125.07209	0.3
126.05629	1.5
127.03986	0.8
145.05067	0.3
157.13501	0.3
182.15529	0.3
199.18172	12.1
199.19969	0.4
207.15018	0.4
224.17728	1.0
225.16098	11.3
226.14453	0.8
243.17131	26.6
262.29233	0.2
265.23053	0.3
269.15134	1.7
287.98923	0.2
308.23511	0.2
309.21899	1.8
335.19791	0.3
353.20807	9.1
433.32132	0.5
451.32983	2.9
469.33972	20.3
470.34677	0.3
495.32001	0.5
506.11218	0.2
537.32574	0.5
553.39978	0.8
579.37677	4.7
597.38763	100.0
598.38647	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	598.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73475	1.0
51.48209	0.9
52.19962	1.0
54.82764	1.2
54.83007	1.2
56.67208	0.9
57.03446	2.4
59.01386	8.5
63.95551	1.2
64.47511	1.0
71.01376	13.0
75.00862	4.4
84.08203	1.2
85.02939	6.4
89.02445	2.4
95.01383	1.2
96.00925	6.0
99.00870	4.6
101.06084	33.4
109.01693	37.7
113.02447	5.9
114.01997	1.5
114.09230	5.2
115.00380	2.0
122.02467	4.5
124.01659	1.4
125.02431	10.8
125.95228	1.0
130.08728	100.0
138.09270	2.1
140.10826	16.4
142.08722	15.0
149.99599	1.2
166.08742	13.4
168.00621	2.0
175.94272	1.1
184.09790	7.2
186.07736	2.3
210.07735	46.5
228.08792	26.6
246.09846	37.6
246.12430	1.7
249.06120	2.3
267.27005	1.2
351.12991	25.4
428.12543	1.2
510.49985	1.4
560.93707	1.1
598.14276	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	599.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29714	0.2
52.32250	0.2
59.01363	0.3
61.54254	0.2
66.24004	0.3
66.95908	1.8
80.05432	0.3
81.10830	0.3
82.02973	1.2
82.95408	100.0
83.02519	3.0
84.00885	0.3
110.30363	0.3
128.68665	0.3
145.25467	0.3
169.46068	0.3
331.29099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87577	0.2
59.01386	1.6
61.98831	100.0
62.37118	0.2
71.01382	0.4
89.02478	0.3
101.02479	0.4
104.46272	0.3
121.02983	0.3
151.79254	0.2
153.41861	0.3
160.87534	0.3
160.89149	0.4
168.71870	0.3
169.41670	0.3
209.04593	0.4
241.86150	0.3
244.47609	0.4
396.48734	0.3
406.22089	0.3
477.97995	0.4
498.14090	0.3
504.39413	0.3
533.30145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08457	0.1
54.59624	0.1
56.07471	0.2
59.01384	0.5
60.57209	0.2
61.55753	0.2
78.69147	0.2
78.69801	0.2
78.95899	73.0
79.95731	0.3
87.00867	0.2
89.02444	0.4
95.01373	0.2
96.67763	0.2
96.96030	14.0
96.96951	100.0
98.63197	0.2
118.19476	0.2
140.14177	0.2
146.61253	0.2
225.92946	0.2
254.19972	0.2
259.02243	11.8
439.08472	0.3
503.16147	1.3
601.13861	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	603.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58402	0.2
54.28442	0.2
55.01880	2.2
57.02695	0.2
57.03450	6.1
58.00603	0.3
59.01380	10.2
61.43039	0.2
64.99725	0.2
65.98062	0.2
68.99796	1.2
69.03446	1.7
71.01376	58.5
72.99303	1.2
73.02940	10.7
74.74149	0.2
75.00854	0.4
78.95911	0.5
81.03438	0.3
81.28929	0.2
83.01379	6.5
83.05000	0.2
84.02129	0.5
85.02941	48.2
86.00113	0.5
87.00865	9.3
89.02435	4.4
95.01376	6.6
96.96001	1.1
97.02928	4.0
99.00864	3.2
100.01637	0.3
101.02433	11.6
103.04029	0.8
109.02942	1.1
111.00850	4.3
112.01673	0.4
113.02437	50.6
115.04003	0.4
125.02441	1.1
127.04023	0.5
129.01915	2.0
131.03485	8.2
137.02443	0.9
139.00351	1.1
139.03978	0.3
143.03517	1.8
149.04573	0.5
149.22922	0.2
152.99506	0.2
155.03523	1.3
157.01443	1.1
163.06174	0.3
173.04535	17.5
189.04059	1.3
191.05643	2.2
201.04033	3.7
203.05649	0.9
205.07176	2.6
215.05603	4.8
233.06660	3.0
245.06653	3.6
263.07718	4.5
283.35382	0.2
303.61835	0.3
305.08676	0.4
317.08810	2.1
329.08887	1.8
347.09979	0.4
359.09830	0.3
361.07874	0.3
363.16177	0.3
377.10779	2.1
393.10370	0.3
411.11505	0.5
421.10031	0.2
471.13455	1.8
493.11963	0.4
511.13382	0.4
525.14569	1.3
543.15686	8.0
571.15271	1.1
603.17841	100.0
604.18097	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	603.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63122	0.6
55.01885	0.9
57.03448	6.3
59.01160	0.6
59.01388	10.3
65.26145	0.8
68.99830	1.1
71.01385	61.9
72.97960	0.7
73.02951	9.6
78.95901	13.2
80.96351	0.7
83.01369	5.1
85.02956	44.4
85.03469	1.6
87.00872	9.1
89.02431	3.8
89.03349	0.9
95.01394	6.6
96.34464	0.9
96.96022	16.9
96.96954	19.4
97.02954	2.0
98.95599	10.9
98.96228	1.0
98.97414	1.3
99.00844	1.4
101.02443	12.9
109.02890	1.0
111.00882	5.9
113.02454	42.8
115.00336	1.4
125.02414	1.1
127.04008	0.8
128.03529	1.2
129.01942	1.0
131.03514	5.7
143.03542	1.4
173.04546	17.6
189.04030	0.9
201.04057	4.4
205.07176	1.7
215.05620	1.7
233.06683	1.9
245.06635	1.8
257.36548	0.9
263.07730	1.9
317.08701	1.5
377.11078	1.4
471.13269	1.2
543.15979	8.8
571.15320	1.2
598.72388	1.2
603.17883	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	603.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97243	1.2
57.03452	1.7
57.17420	1.2
59.01382	100.0
64.34818	1.1
65.69434	1.0
71.01370	8.6
72.77651	1.4
73.02924	2.8
80.58687	1.2
83.01385	2.9
85.02946	8.3
97.06602	1.8
101.02425	5.6
101.21424	1.2
113.02451	2.2
113.06143	1.2
125.88126	1.2
164.88283	1.3
344.27457	1.3
440.61575	1.4
463.59286	1.2
499.29169	6.1
511.84113	1.3
517.30444	7.2
559.31171	16.8
605.31622	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	603.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51910	0.2
54.82785	0.2
56.53149	0.2
59.01379	1.2
63.01202	0.2
69.97482	0.2
78.01387	0.2
82.95421	0.4
84.95127	1.9
85.00434	0.4
87.00865	100.0
88.01208	0.4
97.29173	0.2
116.43784	0.2
126.09859	0.2
148.10033	0.2
165.60184	0.2
171.55981	0.2
236.82492	0.3
253.09297	0.3
279.23273	5.3
305.81830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06684	0.4
56.85822	0.3
59.01388	2.2
61.98823	0.8
84.95116	3.3
85.00447	0.5
87.00867	100.0
87.31499	0.4
88.00382	0.4
88.23232	0.4
94.17512	0.4
120.94352	0.4
201.51578	0.4
243.15018	0.4
279.23282	11.4
359.75934	0.4
369.43100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05038	0.8
53.65666	0.8
57.25060	0.8
61.98816	3.5
78.95899	100.0
82.43893	0.8
92.12310	1.3
93.90249	1.0
96.95995	7.3
98.95614	1.1
99.92593	15.0
100.93327	1.5
115.56223	0.8
115.92070	24.4
116.92852	13.2
150.97986	1.5
152.99638	5.3
155.95145	1.8
168.04283	2.2
178.88416	1.6
179.89223	24.8
180.90005	20.5
181.90797	6.2
194.88052	1.1
196.89487	96.3
235.91777	1.1
236.92654	1.8
250.96591	5.9
251.97272	4.2
262.57834	1.0
279.23193	6.9
305.98486	1.3
435.18411	1.6
499.15549	1.7
505.70480	1.1
516.16174	3.1
533.16553	1.2
556.22076	1.0
586.22614	6.7
600.20093	1.6
604.23553	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73460	1.0
55.01845	1.1
57.03458	9.5
59.01387	14.8
71.01379	14.7
73.02949	2.8
75.00861	35.5
83.01363	2.3
85.02941	33.8
89.02438	6.0
97.02921	2.2
99.00853	2.5
101.02432	5.2
110.31136	1.3
113.02437	17.4
116.92888	1.4
117.03448	2.1
129.01924	2.9
131.03505	1.5
132.02193	1.7
133.02879	1.6
134.03729	37.0
135.04645	1.7
149.06071	6.7
160.01665	26.0
161.02374	5.9
165.04050	8.2
175.03995	41.4
176.04680	2.1
178.02742	6.1
191.07071	1.6
193.03383	2.5
193.05052	48.3
207.06593	2.5
213.97217	1.3
265.07254	8.3
336.63925	1.3
429.12662	10.9
439.12387	8.7
605.17297	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	605.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75238	0.4
55.01894	1.1
57.03453	3.1
58.00593	1.2
59.01383	100.0
63.19069	0.4
69.03448	0.6
71.00986	1.3
71.01381	39.0
72.99326	0.9
73.02948	20.6
83.01384	6.3
85.02950	17.7
87.00885	0.7
89.02445	14.1
95.01402	4.3
97.02941	0.8
99.00857	0.8
101.02441	19.1
109.06628	0.6
111.00857	0.6
113.02439	23.5
119.03477	5.4
125.02452	1.2
131.03465	1.1
135.08113	0.5
137.09712	6.3
143.03531	1.3
149.04617	1.0
161.04529	6.1
166.27052	0.5
169.12434	0.5
179.05653	3.1
229.18193	1.1
238.60550	0.5
273.19632	0.5
339.25406	4.0
341.00195	0.5
345.19357	0.8
348.24603	0.6
357.26862	0.9
370.17188	0.6
373.22089	0.6
483.29968	3.3
501.30704	47.2
502.31079	2.2
519.31683	14.1
543.32190	2.0
561.32806	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	605.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82589	1.2
55.01869	2.6
55.22184	1.0
55.48893	0.9
57.03453	1.8
59.01385	100.0
67.92815	1.1
69.03452	2.3
71.01380	21.5
73.02954	8.3
83.01384	4.5
83.05017	2.4
85.02950	14.7
89.02431	1.4
92.65289	1.3
95.01382	2.4
99.00877	2.2
101.02439	12.6
107.48373	1.0
109.34084	1.0
110.53358	1.1
113.02412	14.1
125.02415	1.7
129.71332	1.2
161.04552	4.2
213.18550	1.8
253.21831	1.2
279.23227	1.7
357.26563	2.0
456.01141	1.4
463.03564	1.3
483.29898	1.5
501.30765	40.7
519.31744	32.7
533.91486	1.3
561.32916	6.0
578.23688	1.2
596.99951	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	605.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99233	2.0
54.14592	1.7
57.03455	2.3
59.01383	100.0
62.49699	1.7
71.01378	32.8
73.02925	2.9
75.60778	1.9
83.01417	2.9
85.02952	15.4
89.02425	4.2
90.85703	2.0
92.12371	3.7
95.01356	3.0
101.02423	14.0
113.02454	12.6
117.76105	2.1
119.03499	2.0
119.78104	1.9
132.33810	2.1
137.09718	8.4
145.24135	2.0
191.20973	2.0
200.56688	1.9
233.23715	2.1
304.62000	2.2
467.96970	2.6
483.29797	8.1
501.30829	53.5
502.31067	2.3
519.31750	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	605.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82766	0.4
55.01886	1.9
57.03455	2.6
58.00604	0.5
58.02034	0.4
59.01388	100.0
59.27488	0.3
69.03467	0.7
71.01385	23.7
72.99313	0.7
73.02947	11.1
78.95894	0.7
83.01385	6.2
83.05037	0.6
83.83604	0.5
85.02950	12.7
86.00111	0.5
86.55270	0.5
87.00874	1.0
87.04539	0.6
89.02431	7.2
92.11836	0.7
95.01389	2.5
96.96018	1.2
97.02966	0.9
99.00895	2.2
101.02437	14.1
111.00866	1.0
113.02426	12.0
119.03526	1.1
125.02472	1.1
143.03528	1.9
157.22464	0.5
158.92612	0.7
159.02953	0.8
161.04573	2.7
179.05641	0.9
211.17216	0.8
213.18700	3.1
274.21902	0.5
279.23404	0.9
300.64545	0.5
346.97342	0.5
351.48447	0.5
357.26852	0.7
375.23981	0.5
423.27881	0.7
441.28589	0.6
443.26486	7.3
459.30310	0.5
461.27481	6.0
483.29669	0.8
485.31848	6.2
501.30716	14.5
503.29224	3.3
519.31708	12.0
543.32123	0.9
555.17529	0.5
561.32819	27.7
561.41364	0.9
568.94672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47954	0.2
59.01384	19.6
61.98821	0.4
63.39199	0.2
75.46594	0.2
78.95900	21.4
92.12410	0.3
94.14830	0.2
94.27562	0.2
116.92836	0.3
122.98547	0.4
152.99577	3.7
164.79240	0.3
168.04330	4.2
171.10283	0.3
224.06950	8.6
242.07974	1.8
255.23331	0.4
307.26447	100.0
308.26773	5.1
377.45004	0.2
532.34106	61.7
533.34534	4.4
544.45538	0.2
606.37396	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1669
Annotation	Neodiosmin
Peak:m/z	Relative Intensity
58.00584	2.4
59.01115	2.4
59.01386	56.9
59.13495	1.6
64.65813	1.6
65.03106	1.8
71.01364	13.3
75.15430	2.0
84.30307	2.3
85.02947	9.1
89.02462	3.5
92.12418	2.2
101.02419	8.0
109.02906	2.9
119.18813	1.9
121.87452	2.0
129.72134	2.0
131.11436	2.2
133.30476	1.9
150.29382	2.4
153.01892	8.6
154.71469	2.0
175.00374	4.1
280.03732	14.0
284.03253	8.3
297.03961	12.0
298.04758	13.6
299.05106	6.2
307.02579	3.6
308.03308	47.6
309.03751	5.1
310.04858	3.8
311.05542	4.2
323.05649	65.5
341.06580	12.1
353.06595	4.2
365.06976	3.4
371.07672	10.3
383.07571	3.5
397.97861	2.3
443.09802	37.3
607.16705	100.0
607.26538	3.7
608.17090	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	607.1677
Annotation	Diosmin 
Peak:m/z	Relative Intensity
56.27884	0.1
59.01377	0.3
63.02391	0.2
65.00320	0.1
65.69391	0.1
79.65232	0.1
79.94988	0.1
83.01379	0.2
83.16230	0.1
99.43234	0.2
100.60144	0.2
107.01363	0.8
113.02475	0.2
116.92760	0.2
134.03716	0.4
151.00345	1.3
169.01450	0.2
183.04514	0.2
199.03903	0.2
200.04596	0.2
211.04085	0.3
227.03531	0.7
255.02985	12.9
256.03735	3.1
257.04080	0.2
269.04602	0.6
283.02481	3.7
284.03268	71.2
285.03720	3.8
297.04141	1.6
298.04797	0.8
299.05615	100.0
300.05942	3.8
313.03485	0.3
321.69122	0.2
447.09509	0.2
555.67328	0.2
565.95734	0.2
607.16724	2.6
619.02063	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59511	1.4
53.02567	1.8
54.22157	1.7
55.01885	2.5
55.68210	1.6
57.03191	2.9
57.03454	64.5
58.00586	1.8
59.01384	89.3
61.98837	2.4
68.99822	2.8
69.03437	3.7
71.01384	72.7
73.02943	13.8
81.03443	4.0
83.01363	11.9
85.02943	45.2
87.00867	13.6
87.37832	1.7
89.02443	40.0
95.01386	11.2
97.02937	14.3
99.00854	16.2
99.04516	20.6
101.02431	75.0
109.02953	4.3
109.15195	1.7
111.00861	7.1
112.34859	1.8
113.02444	41.1
119.03477	14.2
121.02926	3.0
122.02560	2.4
123.00862	43.9
124.01642	64.7
125.02434	56.1
131.03491	3.1
137.02425	3.0
137.04839	1.7
138.03218	34.5
139.04004	82.6
140.39334	1.7
143.03494	21.6
151.00308	1.8
159.02925	2.6
161.04538	29.9
179.05623	10.9
181.05048	1.8
182.29501	1.8
202.31113	1.8
221.06691	10.5
231.94618	1.7
245.06714	13.2
263.07727	10.8
265.07184	2.6
283.08194	15.7
301.09189	12.5
305.08923	12.9
323.09854	22.8
365.11118	2.5
445.13507	28.7
463.14590	100.0
464.14868	3.5
505.15686	19.5
607.18915	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	607.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89725	1.0
54.23696	0.9
55.01870	4.4
57.03457	67.0
59.01386	100.0
69.03452	7.4
71.01381	72.3
72.99308	1.7
73.02943	42.1
81.03455	4.5
83.01379	14.4
85.02949	20.7
87.00861	2.6
89.02442	46.4
95.01378	7.4
97.02950	11.2
99.00877	2.5
99.04509	19.0
101.02435	69.4
111.00858	2.6
113.02437	28.9
113.06078	1.5
116.92875	2.5
118.91285	1.2
119.03511	16.4
121.02957	1.5
123.00884	12.6
123.04526	11.5
124.01651	20.8
125.02424	41.3
125.34872	1.1
125.74594	1.1
131.03482	6.8
138.03238	4.3
139.03993	10.5
141.05597	2.4
143.03471	8.8
149.04549	4.4
161.04584	11.2
166.38055	1.4
168.65001	1.0
179.05638	7.0
184.91364	1.1
188.35454	1.2
197.04184	1.1
213.45583	1.2
221.06612	8.9
245.06764	2.5
263.07776	6.9
286.70892	1.4
305.08792	4.8
323.09863	26.9
345.06424	1.2
353.29138	1.1
365.10754	13.3
405.14468	1.5
428.30219	1.3
445.13541	1.5
463.14639	71.4
505.15704	24.8
545.18842	5.3
607.18817	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58012	0.3
60.21156	0.4
61.98837	0.6
64.35303	0.4
65.16031	0.4
71.01357	0.6
75.96157	0.4
78.28910	0.4
78.95898	100.0
84.41724	0.4
87.00869	0.9
88.00363	0.5
95.11375	0.4
96.96000	3.0
96.96947	4.6
98.95578	1.9
99.92574	14.8
100.93370	2.4
115.92068	43.7
116.92847	26.7
120.96955	0.7
134.98476	0.5
138.97993	0.7
142.94385	0.7
150.98035	4.7
152.98341	1.1
152.99590	32.4
155.95197	1.0
163.89728	1.9
164.90483	2.6
171.00655	2.6
172.95508	2.9
178.88434	2.8
178.91972	0.7
179.89218	26.5
180.89999	24.5
181.90793	12.7
189.91331	0.6
193.90700	0.6
196.89488	53.9
197.89543	0.8
205.90775	4.8
206.91563	3.6
208.89523	2.5
212.88968	0.6
218.91582	1.8
219.92415	2.7
221.90242	1.1
234.91119	0.8
235.91849	7.1
236.92642	11.9
237.93332	1.0
252.92094	1.9
253.92827	2.8
277.21732	1.7
278.93881	0.6
279.23328	8.2
280.23648	0.5
317.33551	0.5
388.34552	0.6
433.23251	0.6
435.18420	3.0
457.11078	0.7
459.12503	0.8
498.14929	2.0
499.15973	6.0
507.27121	0.7
516.15735	5.0
529.13104	0.6
541.16479	0.7
559.17688	3.4
571.17810	7.3
585.15601	0.5
589.18549	4.0
603.17047	0.7
607.19897	58.6
608.19995	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	607.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37226	0.5
59.01353	0.5
61.98816	0.5
62.96409	0.8
71.01366	0.9
76.57418	0.6
78.95895	100.0
79.40576	0.6
83.89700	0.5
92.12408	0.5
95.51089	0.5
96.96001	0.9
96.96964	4.7
99.92572	14.2
100.93373	5.8
114.94881	0.7
115.92062	36.7
116.92845	31.2
120.96928	0.9
123.54762	0.6
142.94392	0.7
150.97987	4.9
152.98337	1.0
152.99579	28.1
155.95222	2.6
163.89719	1.2
164.90489	3.0
166.67087	0.6
171.00656	5.2
172.95477	4.0
178.88419	2.7
178.92148	0.8
179.89206	32.1
180.89998	29.7
181.90773	10.6
182.90292	0.6
194.87883	0.8
196.89487	53.2
205.90820	5.3
206.91534	3.1
208.89424	1.0
215.05008	0.5
219.92331	1.4
221.90170	1.2
235.91817	6.5
236.92567	12.5
237.93292	1.0
252.92085	1.0
253.35127	0.6
253.92888	1.3
277.21640	1.0
278.93591	0.8
279.23291	9.1
400.22729	0.7
435.18643	2.4
452.49127	0.6
498.14896	1.1
499.15735	5.0
516.15967	3.9
559.17438	4.2
571.17493	7.2
589.18762	2.9
603.16455	0.8
607.19891	66.7
608.19940	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76844	0.7
55.01883	1.8
57.03436	1.2
58.61316	0.8
59.01382	45.3
66.35844	0.9
71.01379	38.0
72.99294	1.6
73.02946	8.3
78.81633	0.9
83.01392	5.9
85.02520	1.1
85.02956	15.0
87.00871	1.9
89.02433	30.8
89.02959	1.5
95.01392	1.6
96.95977	1.8
97.02939	5.0
101.02431	26.9
107.11817	0.9
113.02451	16.8
119.03479	8.3
128.03564	1.0
131.03490	1.6
133.06648	1.4
138.06860	3.9
143.03465	2.1
151.07631	2.3
152.08434	9.3
153.09219	20.8
161.04533	10.3
163.11249	1.5
179.05673	3.5
205.05063	1.6
205.12360	17.6
221.06619	1.7
223.13335	4.0
253.10837	1.6
263.07462	1.3
305.64459	1.2
323.09705	1.3
348.92734	1.1
358.12320	1.1
385.18903	9.0
418.15540	1.1
547.24017	100.0
548.24286	1.8
594.32245	1.3
607.23407	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	607.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30156	0.5
55.01894	2.2
57.03461	4.4
58.00611	0.5
59.01395	100.0
63.06078	0.4
69.03477	0.6
71.01389	22.7
72.99338	0.5
73.02950	9.8
75.00887	0.5
82.83569	0.5
83.00986	0.4
83.01388	4.2
85.02956	17.1
87.00865	1.8
89.02454	4.4
95.01411	3.1
97.02973	1.0
97.06626	0.6
99.00886	2.0
101.02444	11.5
111.00935	0.9
112.01654	0.6
113.02451	12.8
113.03158	0.8
125.02452	1.8
137.09789	2.9
143.03529	1.1
161.04556	1.7
185.15546	0.7
185.48480	0.5
197.15479	0.6
213.18903	0.5
219.02037	0.6
228.00711	0.6
243.70137	0.5
299.26141	0.6
329.96854	0.5
347.21066	0.7
359.28101	5.0
370.05472	0.5
370.35690	0.5
372.88708	0.5
405.96674	0.5
415.27115	0.6
440.62851	0.6
459.30106	0.7
476.70721	0.6
503.32318	54.8
504.32645	1.7
521.33368	30.3
563.34473	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	607.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02989	40.5
59.01390	0.6
65.30327	0.4
66.63863	0.4
80.94599	0.4
109.09262	0.5
163.27547	0.4
168.13936	36.2
184.05327	0.5
186.06865	0.8
199.04001	1.6
227.03552	4.2
227.07181	1.9
239.03448	0.9
240.04182	0.6
241.05070	0.9
242.05847	13.9
243.06500	0.5
255.06670	11.1
256.07547	0.9
257.08212	14.0
258.08087	0.4
270.07700	3.6
302.07709	0.8
308.13300	0.4
332.95361	0.5
337.14389	1.7
365.36130	0.4
380.14859	0.9
408.18533	2.9
423.20511	5.5
426.23010	1.9
438.22888	32.8
439.22394	3.1
509.26740	0.5
607.37598	100.0
608.37830	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	608.394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82858	0.2
56.43334	0.2
59.01384	18.3
65.97745	0.2
78.95899	21.1
94.85859	0.2
95.85902	0.2
96.96933	0.3
97.86750	0.2
122.98547	0.2
123.88453	0.2
133.92625	0.2
148.77565	0.2
152.99580	3.9
154.36996	0.2
168.04303	4.0
213.30647	0.2
224.06938	7.5
231.37468	0.2
242.08009	1.5
266.99252	0.2
269.81146	0.2
271.43082	0.2
309.28012	100.0
310.28375	4.6
447.40576	0.2
534.35681	52.7
535.35828	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	608.394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	13.0
59.07571	0.4
59.84683	0.3
71.44959	0.4
78.95902	5.3
84.23898	0.4
98.52627	0.4
136.17186	0.4
138.27699	0.4
152.99568	2.2
168.04352	0.7
174.49429	0.4
211.29565	0.4
214.75095	0.5
224.06958	0.5
242.08144	1.4
253.04475	0.4
309.27997	100.0
310.28311	2.5
534.35724	29.3
535.35889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
57.03454	2.7
58.02983	0.4
59.01382	16.3
60.11341	0.3
66.52564	0.3
69.03461	0.4
71.01378	20.2
72.99299	2.8
73.01463	0.3
73.02951	0.6
75.00866	8.4
78.26459	0.3
83.01376	0.7
84.52590	0.3
85.02945	22.9
87.00870	8.2
89.01912	0.3
89.02436	8.2
91.03992	0.5
95.01379	3.6
99.00870	6.6
101.02418	1.1
102.64016	0.3
103.00373	2.4
105.01910	2.3
111.00913	0.3
112.01663	0.3
113.02441	32.3
115.00343	0.6
117.01917	2.0
119.04998	0.5
129.01932	1.9
131.03493	1.6
153.95094	0.3
175.02460	2.0
205.07190	0.4
207.05125	1.4
215.72536	0.3
223.08127	0.5
249.06085	2.4
257.37985	0.4
266.17966	0.3
267.07224	100.0
268.07578	1.5
400.17291	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
57.03451	2.9
58.02968	0.3
59.01385	15.2
67.20976	0.2
71.01381	21.0
72.99309	2.7
73.02940	0.3
75.00867	8.8
83.01368	1.0
85.02949	21.5
85.27540	0.2
87.00869	9.6
89.01883	0.3
89.02440	7.6
91.03980	0.6
94.96301	0.3
95.01377	3.7
99.00862	4.8
101.02449	1.2
103.00391	2.0
105.01953	1.9
112.01627	0.6
113.02444	31.3
115.00356	1.7
117.01921	2.4
119.04991	0.4
123.15650	0.3
129.01933	1.5
131.03473	0.5
149.04564	0.3
150.46198	0.3
151.36859	0.3
157.01392	0.4
175.02464	1.7
205.07167	0.4
207.05151	1.7
249.06198	2.7
267.07236	100.0
268.07513	2.3
376.65720	0.3
598.70056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91321	0.1
54.91590	0.1
55.90454	0.1
59.01374	0.4
60.44572	0.1
61.67632	0.1
73.02937	0.6
88.67947	0.1
99.92573	9.8
114.93392	0.2
116.92850	100.0
116.97233	3.5
117.01929	0.8
117.92856	1.6
152.31386	0.1
159.48698	0.1
164.70724	0.1
201.62468	0.1
253.62167	0.1
255.23448	0.1
281.81250	0.1
297.80753	0.1
334.61472	0.1
406.48926	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	609.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82775	0.5
55.01881	1.4
56.29356	0.5
57.03444	0.9
58.00589	1.2
59.01388	100.0
61.98832	1.0
63.26400	0.5
71.01385	45.3
72.99296	3.6
73.02931	3.8
80.19777	0.6
81.03455	0.6
83.01368	3.6
85.02946	11.5
87.00868	2.6
89.02443	45.4
95.01373	3.2
97.02914	0.7
99.00868	2.2
101.02438	25.6
113.02458	18.0
119.03510	16.5
121.02954	0.7
121.48357	0.6
122.02476	4.1
122.03250	0.6
123.02819	0.8
131.03525	0.8
134.06007	0.6
137.09668	1.1
143.03471	2.5
149.04556	0.9
161.04526	4.3
179.05620	6.9
203.29071	0.6
225.14850	0.8
302.54123	0.6
387.20331	3.3
400.36722	0.8
549.25616	94.4
550.25861	3.1
585.07416	0.6
609.16974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83546	0.2
54.89856	0.2
80.99172	0.2
92.11725	0.2
95.85268	0.2
103.10989	0.2
159.30363	0.2
250.73842	0.2
279.23291	100.0
280.23581	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	611.145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	10.4
60.36864	0.7
66.03472	1.0
69.95150	0.7
71.01379	1.0
72.00883	0.9
74.00688	1.7
74.02471	22.7
76.76791	0.7
79.05970	0.7
81.04537	1.1
82.02984	3.1
84.60660	0.6
86.02476	8.6
86.06087	1.3
86.99072	1.1
87.05643	5.7
88.04058	1.1
90.00201	1.4
97.04054	6.5
99.05630	22.7
100.00381	1.0
101.07177	3.3
102.00189	1.0
102.05594	3.3
105.99677	1.9
107.06092	1.1
109.04034	1.7
109.07661	1.1
111.05633	1.4
112.01005	1.0
112.04028	1.9
113.83268	0.8
116.01722	1.8
123.05610	3.4
124.03979	1.2
125.03539	3.1
127.05106	4.3
128.03525	63.4
135.05663	6.9
137.07224	1.2
141.06657	7.9
143.04623	90.6
145.06155	3.9
146.04602	7.9
153.06671	7.7
155.08241	1.4
160.00737	16.6
166.09872	3.8
167.04607	5.1
167.08211	1.8
169.06157	1.6
172.70319	0.8
175.01787	1.6
177.03340	4.2
179.04614	17.9
181.06204	1.3
185.03972	0.8
185.05693	4.7
197.05684	1.7
198.08757	1.2
210.08859	17.0
242.07893	1.5
254.07846	14.1
272.08914	29.7
288.06580	4.7
304.06152	10.0
306.07681	100.0
307.07999	0.8
325.58740	0.9
338.04996	11.0
339.33017	0.9
353.06503	0.8
486.40698	0.9
488.28491	0.9
593.14417	0.9
611.14563	27.6
612.14447	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	611.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96562	0.6
58.02982	10.5
59.08878	0.6
61.70807	0.6
66.03458	1.4
67.68832	0.7
72.00899	1.5
74.00702	1.4
74.02467	20.6
75.50076	0.7
79.55012	0.6
82.02956	4.6
85.04104	0.9
86.02468	8.6
86.06108	1.1
86.99078	1.1
87.05626	7.1
90.00158	2.6
97.04065	4.4
99.05627	20.7
100.00349	1.5
101.07200	3.1
102.00157	1.0
102.05582	1.8
102.95607	0.6
103.98008	0.7
105.99677	1.6
107.06178	0.9
109.04076	3.8
109.07667	1.1
111.05627	1.1
112.04021	3.4
113.03567	1.3
116.01740	1.3
123.05634	1.7
124.03986	0.8
125.03539	1.2
127.05116	4.3
128.03525	66.2
129.99666	1.0
135.05637	7.3
137.07146	1.0
139.05121	0.8
141.06693	5.3
143.04613	87.1
145.06131	3.3
146.04584	6.2
151.05089	0.8
153.06711	7.6
153.07751	0.8
160.00713	17.4
166.09807	4.3
167.04581	5.9
167.08267	4.4
169.06160	3.2
175.01802	3.2
177.03410	7.1
179.04572	18.6
181.06212	2.9
185.05687	1.3
189.08676	0.8
192.07803	1.0
197.05695	4.5
199.07303	0.8
210.08855	16.4
242.07906	1.5
254.07794	10.8
272.06665	0.9
272.08868	31.1
288.06589	5.4
304.06073	11.4
306.07666	100.0
307.07971	1.4
338.04883	12.8
482.10147	1.1
611.14502	25.2
612.14679	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	611.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36136	0.5
53.48645	0.5
58.02987	9.0
66.03481	0.7
70.02945	0.7
70.77235	0.6
71.01373	0.8
72.00905	1.1
74.00657	1.0
74.02468	18.7
81.04583	1.1
82.02988	3.1
84.04553	1.0
85.02938	0.8
85.04082	0.9
86.02476	9.3
86.06095	0.9
86.99094	1.4
87.00886	0.7
87.05622	5.8
90.00176	1.1
97.04066	5.0
98.06183	0.7
99.05635	19.9
100.00400	1.5
101.07200	3.3
102.00173	0.6
102.05606	2.6
102.89074	0.5
105.99684	2.6
107.06123	1.1
109.04079	1.4
109.07703	0.9
112.04037	2.5
113.03541	0.7
115.09808	0.8
116.01784	1.1
118.89022	0.7
123.05664	1.0
124.04047	0.9
125.03558	2.4
127.05146	3.0
128.03520	60.9
135.05634	7.2
137.07184	1.4
141.06671	4.8
143.04616	85.4
145.06163	3.3
146.04572	7.6
151.05183	1.2
153.06693	7.0
160.00739	18.5
166.09851	3.4
167.04582	5.8
167.08311	1.3
169.06232	2.4
175.01801	2.7
177.03392	4.9
179.04604	17.8
181.06172	2.4
184.11009	1.1
185.05627	1.3
192.07845	1.0
197.05659	2.8
198.08865	0.8
203.05104	0.8
210.08855	17.6
228.10083	0.8
242.07787	1.4
254.07831	13.3
272.08884	34.2
288.06586	4.6
304.06058	12.0
306.07657	100.0
307.07962	1.2
338.04831	9.8
482.10034	1.0
593.13794	0.8
611.14551	24.9
612.14166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.4
57.03450	2.8
58.00595	1.8
59.01384	95.4
61.98847	2.7
71.01383	46.0
72.99316	3.5
73.02950	2.5
75.55417	1.4
76.57627	1.6
83.01369	3.4
85.02951	17.2
86.02473	3.3
87.00876	1.4
89.02432	48.9
91.14420	1.4
93.03468	1.5
93.67630	1.4
95.01375	1.4
99.04513	23.2
101.02431	25.0
102.58247	1.4
110.14385	1.8
113.02435	19.9
116.92873	7.6
119.03487	10.5
121.06564	2.2
121.31015	1.6
122.07868	1.6
125.02496	2.0
128.03549	13.7
148.75702	1.5
153.01933	2.6
161.02457	5.9
168.04279	2.7
170.30951	1.5
171.07726	2.8
183.06723	2.1
189.12881	7.6
207.13904	48.0
209.11919	2.3
215.06744	1.8
251.12900	59.4
269.13940	2.1
327.01340	1.6
355.04349	1.4
361.16431	11.2
395.15372	18.2
418.39972	1.6
431.19235	63.8
432.19147	2.1
449.20416	7.4
477.13208	1.6
482.18918	6.6
551.27124	2.3
575.20264	2.1
611.25610	100.0
612.25348	2.2
638.44659	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	611.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25618	0.1
52.63609	0.2
64.74046	0.2
66.68501	0.2
69.08466	0.2
69.70744	0.1
70.17480	0.2
72.00911	7.4
74.02473	11.6
82.72023	0.2
96.96049	0.2
116.05064	35.5
117.05373	0.7
130.06615	1.4
132.08200	0.2
138.49147	0.2
142.06627	9.0
151.74858	0.2
157.07738	0.3
159.09285	8.1
159.10529	0.4
161.04881	0.3
186.05606	1.7
203.08293	100.0
204.08615	1.6
237.51936	0.2
258.11029	0.3
306.07581	0.3
320.58832	0.2
331.64853	0.2
407.16125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50700	0.2
56.34544	0.2
57.03452	1.7
59.01373	1.0
61.98822	0.5
71.05014	0.5
81.03442	1.2
83.05010	0.3
85.47971	0.2
85.92545	0.2
95.05003	0.2
97.02921	0.4
105.07094	0.3
107.04981	0.2
109.02947	2.9
109.06594	1.6
110.03793	0.2
111.04520	0.8
119.05060	0.4
119.08646	0.5
121.02988	0.3
121.06589	0.4
122.03708	1.2
123.00904	0.2
123.08151	0.5
124.05285	3.6
125.06078	5.1
135.04552	1.1
136.05252	0.4
138.03181	0.3
139.07651	6.4
147.08154	32.7
148.08546	0.4
149.06082	1.7
149.09705	3.2
151.07639	3.4
157.06573	0.3
158.07381	3.8
161.06035	1.7
163.11320	0.2
164.08432	9.4
165.09198	37.1
166.09575	0.8
170.05856	0.2
173.09703	11.1
175.07629	3.0
176.08434	1.9
182.05809	1.4
189.09196	0.4
191.10782	45.4
192.11067	0.4
194.09558	0.3
207.10251	0.4
208.07408	0.9
209.11838	39.1
210.12221	0.9
233.04420	0.3
240.66003	0.2
247.06201	0.2
253.10817	100.0
254.11133	1.7
371.07486	0.3
401.12299	1.4
413.12546	0.4
431.13351	0.9
483.92770	0.2
557.09546	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62678	0.2
52.89566	0.2
54.28969	0.2
57.54344	0.2
59.01385	2.0
61.98833	100.0
71.01405	1.0
85.02950	0.3
89.02438	0.4
100.11113	0.3
101.02430	0.4
113.02463	0.6
126.76054	0.3
130.08762	0.2
132.74763	0.2
133.64026	0.2
137.99928	0.2
148.83775	0.2
176.10844	0.3
206.05089	0.2
267.07330	0.5
429.10489	0.5
552.26538	0.6
579.59210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68578	0.1
53.49947	0.1
53.70756	0.1
54.41726	0.1
55.37299	0.1
59.01392	0.1
62.54640	0.1
68.93626	0.1
73.02938	0.6
73.42096	0.1
92.11741	0.3
99.92572	6.0
108.59778	0.1
114.93402	0.3
116.92850	100.0
116.97218	0.9
117.01942	0.9
117.92842	0.9
151.33694	0.1
279.23300	0.2
280.23792	0.2
390.00748	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	612.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32942	0.2
54.44047	0.2
55.85567	0.2
73.02929	0.4
77.72913	0.2
85.02584	0.2
92.11665	0.2
96.99273	0.2
99.92576	5.9
100.27052	0.2
101.46062	0.2
114.93423	0.3
116.92851	100.0
117.01952	1.6
117.92860	1.1
126.71765	0.2
129.96698	0.2
196.54530	0.2
255.23238	0.9
401.02609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00119	0.4
54.82803	0.5
56.28040	0.4
61.40086	0.4
61.98830	0.8
71.55426	0.4
73.02952	5.7
85.02953	1.0
86.69861	0.5
92.12450	1.1
102.23051	0.5
103.17532	0.6
107.05022	1.0
109.06594	10.7
116.92865	0.9
127.07648	66.5
141.81119	0.5
171.06636	100.0
172.06970	0.7
251.92444	0.5
316.98166	0.6
354.97964	5.1
402.98090	1.1
648.10352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14913	0.3
53.39196	0.3
55.01886	0.6
55.09737	0.3
57.03441	0.6
58.00591	2.0
59.01386	55.5
60.37851	0.3
64.52463	0.3
67.72748	0.3
69.96539	0.3
71.01382	27.3
72.99303	2.1
73.02938	0.7
74.74501	0.3
83.01368	1.6
85.02937	5.2
85.06561	0.5
87.00845	1.4
89.02438	39.4
89.37424	0.3
95.01363	1.7
96.95979	0.4
99.08163	0.3
100.00377	1.9
101.02429	21.4
104.97150	0.3
111.65544	0.3
113.02435	13.9
119.03484	16.4
131.03490	0.7
131.07149	2.7
131.67957	0.3
143.03458	0.6
143.07054	0.3
144.02975	0.5
148.06325	1.8
149.04578	0.6
161.04584	0.6
161.08174	0.5
179.05603	1.8
195.69310	0.3
253.40956	0.4
293.09845	1.1
293.12601	3.4
323.13492	100.0
324.13821	1.5
340.96671	0.3
391.03809	0.3
457.27280	0.3
495.05737	0.3
561.09216	0.4
617.23169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76731	0.2
55.01887	0.4
57.03461	0.7
58.00603	1.6
59.01387	61.3
71.01389	25.5
72.99310	2.0
73.02952	0.5
77.33059	0.3
83.01389	0.7
85.02956	6.3
85.06623	0.3
87.00881	1.3
89.02446	40.0
92.11706	0.6
95.01385	2.5
100.00417	1.4
101.02438	20.9
113.02448	13.4
115.07613	0.4
119.03486	16.9
131.03474	0.3
131.07111	3.2
142.12373	1.2
143.03535	0.7
144.03030	0.3
148.06322	1.8
149.04530	1.1
161.04616	0.4
161.08255	0.7
173.04602	0.3
179.05586	1.3
214.10866	0.5
272.49902	0.3
293.10013	0.3
293.12558	3.8
310.77695	0.3
323.13492	100.0
324.13885	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	619.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29134	0.3
57.03455	0.5
59.01387	7.0
71.01381	67.7
72.99281	0.4
73.02942	1.1
75.00864	8.5
77.62162	0.3
82.79778	0.3
83.01388	1.2
85.02956	7.1
87.00892	2.6
89.02441	11.1
95.01398	0.5
97.02934	0.4
99.00878	0.6
101.02423	5.2
111.00866	0.5
113.02444	8.0
114.93430	2.0
115.00370	100.0
118.90196	0.3
119.03521	1.5
129.01949	1.3
131.03497	0.7
143.03514	0.5
154.93559	0.4
158.40578	0.3
161.04553	0.7
165.04076	1.5
173.04527	1.3
179.05602	5.5
179.07050	0.4
201.04079	1.4
203.05733	0.3
221.06644	2.1
245.06784	0.4
323.09821	1.9
341.11118	0.4
429.12662	0.7
503.16266	27.2
510.42496	0.3
619.17297	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	619.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13537	0.3
55.01881	1.5
57.03458	5.6
59.01117	0.3
59.01385	6.8
67.01897	0.8
68.99828	0.4
69.03445	0.7
71.01381	48.0
72.99297	2.2
73.02940	4.4
75.00868	48.1
78.95895	0.7
81.03440	0.5
83.01371	3.8
85.02946	24.2
86.00083	0.4
87.00871	7.7
89.02435	3.4
92.12370	0.8
95.01393	3.2
96.95425	0.5
96.96004	9.1
97.02926	0.7
98.95679	0.4
99.00852	2.0
101.02445	3.7
107.97910	0.3
111.00853	1.4
113.02448	24.6
115.00377	0.8
117.01923	0.4
129.01941	7.0
131.03529	4.2
139.00330	0.5
143.03429	0.5
147.03050	1.1
157.01418	0.6
165.04036	9.2
173.04529	6.2
191.05579	0.6
201.04070	6.0
203.05563	0.7
205.07196	0.6
215.05698	0.8
225.67542	0.4
233.06599	1.6
235.27533	0.4
245.06648	2.9
261.06247	0.4
279.06995	0.4
294.38562	0.4
305.08896	1.5
317.08868	2.0
329.08841	0.5
411.11523	0.5
424.39713	0.4
429.12543	6.3
471.13489	1.9
543.15802	3.1
587.14783	2.1
601.16455	1.3
619.17346	100.0
620.18146	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.0
57.03458	4.8
57.22399	0.5
59.01390	8.8
65.53580	0.5
67.01895	0.8
68.99819	0.6
69.85075	0.5
71.01387	77.7
72.99297	1.1
73.02941	4.9
75.00877	46.9
76.58040	0.5
83.01410	3.6
83.85175	0.5
85.02956	25.6
86.00109	0.5
87.00881	8.4
89.02446	6.8
92.04774	0.5
92.12320	0.6
92.19606	0.6
95.01373	2.7
97.02946	1.3
99.00887	2.1
101.02454	4.9
111.00858	2.2
113.02446	28.7
114.93401	3.1
115.00368	45.8
115.04001	0.6
119.03450	0.6
125.02553	0.5
129.01921	6.2
131.03511	4.6
137.02542	0.5
139.00438	0.6
143.03528	0.8
146.94344	0.5
147.02940	0.7
148.73770	0.5
161.04552	0.7
165.04030	9.2
173.04514	4.9
177.38284	0.5
179.05637	2.9
201.04082	6.2
203.05701	1.0
215.05513	0.6
221.06680	0.8
233.06795	0.7
245.06607	3.1
251.56911	0.6
279.07230	0.7
301.70535	0.6
305.08823	1.0
317.08813	3.2
359.71841	0.7
386.94324	0.6
402.78238	0.5
429.12473	4.9
471.13504	0.9
503.16238	10.3
543.15741	1.0
587.14899	2.1
600.63495	0.6
619.17322	100.0
620.17468	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	621.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.2
59.01384	2.9
61.95748	0.2
64.07228	0.2
64.34840	0.2
68.48063	0.2
71.01383	1.6
73.02944	56.1
74.02412	0.2
74.03265	0.2
85.02959	0.2
89.02433	2.9
93.66505	0.2
95.26347	0.2
99.00876	6.4
99.04507	0.8
99.92569	1.3
101.02432	1.2
103.93365	0.2
113.02425	0.7
115.00374	0.2
115.35528	0.2
116.07195	1.4
116.92855	20.2
117.01932	100.0
117.05597	0.8
117.92844	0.8
118.02303	0.6
119.03501	0.8
133.01450	0.2
161.04456	0.2
179.05647	0.7
217.34415	0.2
279.10846	4.7
377.08630	0.9
503.16095	1.3
504.16306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36799	0.2
56.54122	0.2
59.01378	1.0
71.01374	1.5
72.22368	0.2
73.02943	54.8
75.00868	0.3
85.02940	0.5
89.02438	1.0
96.96957	0.3
99.00877	7.3
99.92578	1.3
101.02425	0.4
111.00861	0.4
115.00385	0.4
116.92850	19.5
117.01929	100.0
117.92847	0.4
118.02242	0.3
128.03563	0.3
182.07364	0.3
191.01924	0.3
201.25601	0.2
279.10803	1.0
503.15796	0.5
621.17438	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	621.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.2
59.01384	2.9
61.95748	0.2
64.07228	0.2
64.34840	0.2
68.48063	0.2
71.01383	1.6
73.02944	56.1
74.02412	0.2
74.03265	0.2
85.02959	0.2
89.02433	2.9
93.66505	0.2
95.26347	0.2
99.00876	6.4
99.04507	0.8
99.92569	1.3
101.02432	1.2
103.93365	0.2
113.02425	0.7
115.00374	0.2
115.35528	0.2
116.07195	1.4
116.92855	20.2
117.01932	100.0
117.05597	0.8
117.92844	0.8
118.02303	0.6
119.03501	0.8
133.01450	0.2
161.04456	0.2
179.05647	0.7
217.34415	0.2
279.10846	4.7
377.08630	0.9
503.16095	1.3
504.16306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.6
59.01108	1.2
59.01383	23.2
71.01384	16.9
73.02955	1.6
75.00845	1.8
85.02942	6.3
89.02438	14.1
89.03909	1.8
95.01395	2.0
97.10154	1.4
101.02453	12.4
113.02422	7.7
116.92862	1.7
117.03447	9.9
119.03467	2.6
121.05060	15.9
124.01473	1.3
125.02438	2.0
130.08797	2.0
132.02173	18.0
134.03734	100.0
135.04085	2.0
143.03462	1.6
147.04582	1.4
149.06035	10.2
160.01659	90.2
161.02170	1.8
161.04550	2.6
175.03996	94.4
178.02715	3.2
179.05650	2.8
182.02242	2.2
193.05066	76.0
205.01726	1.4
283.10272	1.5
441.14169	2.0
445.15646	1.9
459.15146	7.5
621.20441	55.1
622.20544	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	621.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	33.4
59.27527	2.1
71.01381	13.6
73.02927	2.5
85.02938	5.5
87.85462	2.1
89.02439	3.9
101.02457	4.1
113.02449	2.8
116.92856	3.6
121.02946	8.3
138.06886	3.7
139.07660	9.7
147.04503	3.4
149.02441	55.8
156.95601	2.1
162.03232	2.3
163.04005	10.1
164.04799	45.1
175.00397	18.8
179.07152	2.9
190.02692	43.5
191.03529	4.6
191.10834	23.7
205.05034	45.0
206.05745	9.4
221.08243	3.6
223.06136	30.8
238.71365	2.6
265.07166	8.9
341.55795	2.4
406.48563	2.3
415.16263	26.9
421.97546	2.6
426.28650	2.4
535.31091	3.3
577.23151	24.3
577.31592	4.7
621.21997	100.0
631.11047	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	621.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69800	0.8
59.01387	100.0
65.42565	0.8
77.89953	1.0
82.92966	0.9
85.93530	0.9
89.02435	2.0
95.04670	1.1
117.25033	1.1
119.89558	0.8
188.40994	1.0
196.66809	0.9
269.42917	1.0
434.96170	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55029	0.4
51.57154	0.4
55.01885	0.4
57.03450	0.9
59.01381	12.2
65.00308	0.5
71.01382	4.0
73.02929	1.9
73.36353	0.4
73.88315	0.4
83.01379	2.1
85.02953	2.2
89.02441	0.6
101.02444	3.0
103.58716	0.4
107.01435	0.9
108.02153	0.5
113.02454	2.2
116.92857	2.1
121.02926	0.4
125.02444	0.7
135.00865	0.5
143.10718	0.7
145.02971	0.8
147.07776	0.5
149.09689	2.1
151.00365	6.3
159.04633	0.5
163.00317	0.6
169.37946	0.4
171.04434	0.9
172.05197	0.5
183.04543	2.3
187.04054	0.9
194.01906	0.4
199.03996	8.2
200.04762	0.5
201.01967	0.6
204.95728	0.5
211.03989	1.6
215.03551	3.1
226.02696	0.6
227.03488	7.3
228.04276	0.5
242.02257	4.8
243.02962	37.6
244.03748	2.3
254.02084	1.0
255.02997	27.6
256.03583	1.0
257.04578	4.8
259.06125	0.6
270.01627	4.9
271.02475	65.9
272.03131	5.2
285.04095	7.1
286.04660	3.3
287.05649	2.6
298.58936	0.5
299.01978	59.0
300.02747	54.1
300.07773	0.7
301.03079	0.7
314.04346	47.9
315.05118	100.0
316.05414	2.6
329.14224	0.6
330.14352	0.9
357.06143	1.1
375.27521	0.5
399.12631	0.5
430.20862	0.5
519.31714	10.4
537.32654	4.1
579.34033	0.7
623.16180	80.9
624.16425	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17500	0.3
54.29483	0.4
57.03412	0.5
59.01325	8.9
69.24340	0.4
73.02894	0.8
73.67868	0.4
80.74345	0.3
83.01319	0.8
85.02881	1.6
89.02361	1.9
92.12333	0.5
94.78493	0.3
98.96170	0.4
99.92500	2.1
101.02370	2.2
107.01360	0.8
110.39380	0.4
113.02397	1.6
115.92031	0.5
116.92854	4.4
119.03417	0.5
134.03662	2.2
134.47128	0.3
149.67459	0.4
151.00354	0.7
165.09366	0.4
173.77301	0.4
193.04994	0.5
227.03485	0.6
255.02982	8.2
256.03751	2.8
256.18411	0.5
283.02454	1.9
284.03250	78.2
285.03656	2.6
297.03897	0.8
299.05606	100.0
300.02716	0.4
300.05920	3.3
325.00946	0.4
519.31531	6.1
519.88342	0.5
537.32971	1.8
579.34534	0.8
623.16510	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	623.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
57.03443	6.6
58.29191	0.7
59.01387	100.0
68.49150	0.8
69.03445	1.4
69.86297	0.9
70.08934	0.7
71.01382	22.2
71.05016	1.1
73.02952	14.3
75.00829	0.9
81.03457	1.2
83.01379	6.5
85.02950	17.8
87.00880	1.7
89.02456	1.6
91.84721	0.8
95.01365	3.7
97.02926	2.0
97.06590	1.3
97.66759	0.9
99.00897	1.4
99.04524	1.5
101.02444	18.4
109.02911	1.2
111.00887	1.4
112.01672	1.2
113.02456	10.5
116.92851	7.9
125.02408	2.2
137.09665	3.8
138.66539	1.0
143.10745	5.8
149.09743	7.2
151.11310	0.9
154.42520	0.9
159.04424	1.1
161.04584	1.5
161.05940	1.0
169.12405	1.0
175.07675	1.7
201.14960	5.7
213.14819	1.0
213.90378	0.9
237.11195	1.1
274.79245	0.9
313.23691	1.3
329.13864	1.3
330.14398	1.6
331.14474	3.4
357.26636	1.5
366.98984	1.0
375.27582	10.2
519.31744	75.2
520.32196	1.2
537.32794	28.7
579.34058	9.3
588.66089	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27362	0.4
53.42877	0.4
55.01894	4.0
57.03463	5.3
58.00589	0.6
58.21901	0.3
59.01386	100.0
59.21329	0.4
60.01702	0.4
69.03458	1.8
71.01382	37.6
71.05031	0.8
72.99313	1.0
73.02946	17.1
75.00885	0.5
81.94713	0.4
83.01393	5.4
85.02944	20.8
86.00105	0.7
86.73934	0.5
87.00874	1.8
89.02445	8.4
95.01361	3.9
95.37219	0.4
97.02981	0.9
97.06577	0.6
99.00886	4.8
101.02438	17.7
101.03062	0.8
103.04006	0.8
111.00898	1.7
112.01665	1.7
113.02444	20.9
119.03522	2.4
122.67852	0.4
124.01629	0.7
125.02473	2.6
125.09723	0.6
127.07618	0.5
127.11337	1.1
129.01947	0.7
135.08212	0.7
137.09721	5.3
141.09268	0.7
143.03552	1.1
143.10814	0.6
153.09277	0.6
159.03004	0.7
161.04585	3.1
171.13934	1.8
173.11726	0.6
173.50912	0.4
173.86469	0.4
183.03023	0.4
183.13885	0.6
201.15005	8.2
226.42203	0.5
250.62497	0.5
345.19299	0.8
363.20129	0.5
363.81119	0.5
375.27530	5.0
417.29462	0.5
445.28851	0.5
501.31238	0.7
519.31787	82.6
520.32104	3.3
537.32849	22.4
538.33453	0.9
579.33875	6.6
610.24860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69845	0.4
59.01371	0.6
78.95903	0.6
80.38674	0.4
83.88748	0.4
91.76133	0.4
95.04089	0.4
96.03028	0.4
99.06471	0.4
99.92577	0.8
101.14656	0.4
111.58568	0.4
116.92809	1.5
119.34507	0.4
143.27979	0.4
165.05589	0.5
195.79233	0.4
267.23294	100.0
268.23688	2.7
363.38324	0.6
622.62299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60486	0.8
52.99605	0.8
55.01887	5.2
57.03463	1.7
58.00598	2.3
59.01391	100.0
69.03456	5.7
71.01382	86.4
72.99305	4.9
73.02947	26.5
79.98799	1.1
81.03447	1.3
83.01385	5.2
85.02950	24.1
87.00864	13.2
89.02437	92.5
95.01397	6.0
97.02931	7.8
99.00872	5.4
101.01761	2.4
101.02432	67.8
111.00873	1.4
113.02442	38.3
119.03484	33.7
120.58332	1.2
123.00856	2.9
124.01637	13.1
125.02432	47.6
131.03514	14.9
138.03198	1.1
139.04047	2.2
141.01978	1.3
143.03503	9.8
144.57826	1.1
149.04561	2.1
159.03038	2.1
161.04530	20.8
179.05609	67.9
183.81865	1.1
221.06679	29.8
263.07959	1.3
263.22263	1.1
281.08859	1.1
323.09857	5.5
341.10782	1.5
383.12097	8.3
407.11884	2.5
425.13004	6.5
485.15286	7.7
625.19794	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.6
57.03453	4.5
58.00589	0.6
59.01383	38.5
60.01716	0.5
69.03437	0.7
71.01379	22.2
73.02945	11.5
83.01379	4.4
85.02468	1.0
85.02944	21.8
86.00072	0.9
87.00839	1.0
87.04507	2.4
87.11936	0.5
89.02413	5.8
89.02783	0.4
95.01363	3.0
97.02957	1.0
99.00863	2.7
101.02430	16.0
111.00882	1.0
111.08138	0.6
112.01661	0.8
113.02438	14.1
116.92852	4.4
119.03487	2.6
125.02481	0.7
137.09689	1.8
159.02957	0.7
161.04564	2.1
185.15443	0.7
213.18518	2.3
257.09421	0.6
271.22812	1.9
299.25793	0.9
313.23956	0.7
315.25482	4.5
359.28046	4.3
377.28970	2.1
411.65530	0.5
415.26898	0.6
433.27972	0.8
459.29245	0.9
477.31000	1.9
521.33331	100.0
522.33545	5.8
539.34277	9.2
581.35394	4.3
625.25885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.2
59.01383	60.1
60.01748	1.7
71.01382	25.7
73.02942	7.0
73.04227	1.4
75.00868	1.3
83.01376	2.6
85.02945	15.1
85.23358	1.3
87.00864	2.3
89.02442	15.4
91.09732	1.4
95.01381	3.1
99.00877	1.8
101.02422	15.2
113.02451	18.7
116.92883	2.6
119.03499	2.9
120.21841	1.6
121.13915	1.3
153.09341	1.7
157.12341	2.6
161.04546	1.7
233.18484	1.5
359.28195	3.2
377.29099	5.9
477.19266	1.6
495.31973	1.6
521.33282	100.0
522.33722	5.8
539.34546	10.0
581.35614	3.6
625.26959	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	625.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94078	69.3
55.40988	61.4
61.37249	56.2
62.16990	65.7
77.01595	61.0
89.86717	62.1
116.92863	100.0
165.44832	71.9
179.69615	76.6
558.08557	88.3
609.81647	70.3
624.02429	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96355	0.1
54.10095	0.2
55.01868	0.3
72.99298	0.3
87.71858	0.2
92.12275	0.2
98.21455	0.2
111.23188	0.2
181.95714	0.2
197.19135	0.8
199.07834	0.2
221.19170	0.2
223.20671	3.5
225.22247	55.3
226.22591	0.4
253.21725	1.4
271.22787	100.0
272.23209	1.8
284.94531	0.2
301.21756	0.7
418.14951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07366	0.4
59.01379	0.9
61.58323	0.4
61.98821	2.8
63.34434	0.4
63.42130	0.4
71.01379	1.0
73.02917	0.7
90.49435	0.5
90.72951	0.5
92.11696	0.9
93.03434	0.9
117.03439	3.9
119.04963	0.5
135.04533	2.2
143.06715	0.5
149.02457	1.0
150.49188	0.5
159.04488	0.7
161.02458	2.8
161.06097	0.5
162.03201	0.8
163.03873	0.6
175.03990	1.0
177.05573	0.5
179.03563	0.8
189.05499	0.5
191.03438	1.9
192.41954	0.4
203.03502	0.9
205.05150	0.8
217.04982	0.8
221.04649	0.8
233.04533	0.7
253.08792	0.7
267.06693	1.0
268.07471	1.9
279.06702	0.5
281.04660	0.6
282.05301	3.2
283.06177	4.5
295.06146	6.4
296.06833	2.2
297.07678	21.9
298.08203	0.7
307.06171	2.9
309.07617	4.3
311.05716	4.2
313.46860	0.5
314.04233	0.5
323.05615	5.5
324.06427	0.6
325.07169	8.3
328.05856	5.6
335.05603	2.4
337.07120	4.6
341.07516	0.5
353.06683	47.4
354.06985	2.0
355.08206	1.9
356.05441	0.7
365.06680	6.4
379.08133	0.7
383.07739	37.3
384.08142	2.2
395.07642	4.8
407.07635	1.1
413.08932	4.7
414.09103	0.5
425.08755	3.5
443.09769	6.0
455.09833	1.0
473.10828	5.1
503.12128	2.4
545.13489	1.1
563.14099	100.0
564.14453	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	626.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33850	0.6
55.93404	0.6
56.31763	0.6
59.01381	0.9
61.98833	1.9
69.90717	0.6
71.01352	0.8
74.93413	0.6
75.00383	0.6
75.15220	0.7
75.19332	0.7
76.76000	0.7
93.03436	1.5
94.53429	0.7
101.02405	0.8
113.98001	0.8
117.03459	4.6
119.04916	0.8
126.04364	0.7
130.40062	0.7
135.04483	1.6
137.02579	0.8
149.02434	1.2
161.02438	3.2
163.03989	1.1
175.03925	1.6
177.01768	0.8
177.05553	3.2
179.03659	0.8
189.05632	1.0
189.10884	0.9
191.03491	1.6
191.10829	0.8
203.03516	1.1
264.90298	0.7
281.04578	1.4
282.05240	1.7
283.06113	5.1
295.06125	5.9
296.06863	3.3
297.07712	25.0
307.06134	3.1
307.49261	0.7
309.07727	4.4
311.05511	5.0
323.05576	4.8
325.07242	11.2
328.06024	6.9
335.05502	2.8
337.07474	5.2
351.05170	1.0
353.06702	46.8
354.06818	0.9
356.05316	1.1
365.06696	8.9
377.06491	0.9
383.07761	35.5
384.08389	0.9
395.07858	6.0
397.09439	0.9
413.09009	6.1
425.08786	3.9
443.09814	6.8
455.09589	1.2
473.10715	6.3
563.14117	100.0
564.14490	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	626.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14600	0.4
55.48069	0.5
59.01372	3.0
61.79181	0.4
61.98838	0.6
64.34308	0.5
71.01386	2.2
72.99284	0.6
77.50652	0.5
89.02420	1.0
95.01375	5.7
97.07166	0.5
101.02431	1.2
106.89114	0.6
115.55910	0.6
118.58098	0.6
121.02957	3.9
122.02470	23.0
123.00870	34.2
138.03214	15.5
149.01199	0.7
153.05582	7.6
166.99847	38.7
181.01491	0.6
182.02211	100.0
183.02556	0.6
197.04561	97.6
198.04919	1.0
256.09802	0.6
309.44284	0.6
309.86838	0.6
428.11862	0.7
589.21692	0.6
603.64063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53320	0.3
57.78482	0.3
59.01368	0.4
60.69915	0.3
61.07861	0.3
61.98836	0.5
62.76696	0.3
65.79898	0.3
67.51756	0.3
73.02945	0.6
92.66032	0.4
99.92574	7.0
104.93151	0.3
104.94081	0.3
116.92846	100.0
116.97239	4.7
117.01862	0.4
117.92895	1.7
124.50263	0.3
168.16862	0.4
221.76494	0.4
269.24832	0.4
515.58380	0.4
526.01801	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40721	0.4
51.47191	0.5
54.82687	0.5
59.17820	0.4
59.90822	0.4
66.97875	0.4
78.95898	5.7
90.24567	0.4
110.98519	5.4
152.99553	0.7
157.63150	0.4
167.01135	2.4
185.02205	3.3
243.46996	0.5
255.23434	0.7
279.23303	100.0
280.23688	2.1
447.25214	31.5
448.25284	0.8
518.40265	0.5
605.14380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21602	39.0
61.98840	62.9
75.66370	41.0
79.44389	38.2
82.56190	37.6
89.02381	47.0
104.83460	45.8
116.92852	68.6
119.83871	45.2
257.10995	43.5
313.27332	100.0
318.65253	52.0
627.40179	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59412	0.1
55.93920	0.1
58.00598	3.4
59.01376	0.2
64.44956	0.1
89.44088	0.1
96.96001	0.1
97.06559	0.8
99.08149	17.2
101.09710	0.6
111.08140	0.5
113.09727	0.2
127.07640	2.7
129.01369	0.1
129.09213	22.4
143.87469	0.1
183.13907	41.5
184.14197	0.9
195.13927	3.6
213.15134	0.4
214.93970	0.1
224.06554	0.1
277.04611	0.1
277.21729	3.2
282.03125	0.1
295.22800	9.7
296.23050	0.2
311.22394	0.6
313.23886	100.0
314.24200	2.6
580.89832	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	629.356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44595	0.1
53.87059	0.1
70.72693	0.1
77.03961	3.1
89.03964	1.3
92.11771	0.2
93.03428	0.3
95.05024	7.3
105.03454	25.5
106.03827	0.2
116.44282	0.1
121.02882	0.2
123.04527	2.9
124.55431	0.2
132.02156	1.2
133.02948	100.0
134.03281	0.9
151.03981	0.6
154.91364	0.1
165.85612	0.1
177.01929	34.2
178.02219	0.2
179.78902	0.1
196.14532	0.1
206.46606	0.2
253.42201	0.2
304.47290	0.1
395.17737	0.2
434.88519	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44521	0.1
52.90142	0.1
54.82082	0.1
55.01887	0.1
59.01384	0.1
59.02986	0.1
60.25158	0.1
65.75352	0.1
73.02942	0.8
99.00889	0.6
99.92572	9.5
105.49473	0.1
110.52273	0.1
114.93398	0.5
116.92850	100.0
116.97243	0.5
117.01925	1.6
117.92850	1.2
264.00885	0.1
291.93997	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	631.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
62.54210	0.1
64.34308	0.1
70.68764	0.1
70.76909	0.1
71.01360	0.2
77.51353	0.1
99.07552	0.1
99.17051	0.1
127.07696	0.2
130.31964	0.1
190.97041	0.1
233.22849	0.1
239.45987	0.1
259.20554	0.6
275.20169	0.4
277.21738	100.0
278.22052	1.1
278.95670	0.1
319.90753	0.1
451.42490	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	632.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72376	0.1
51.89301	0.1
54.34314	0.1
54.82915	0.1
57.19235	0.1
59.01382	2.5
65.98833	0.1
71.01385	2.2
75.39951	0.2
82.02979	0.9
84.04526	0.3
85.02935	1.1
87.00875	0.2
89.02431	2.7
96.28430	0.2
101.02416	1.4
113.02417	1.3
115.30382	0.1
119.03456	0.8
123.94944	0.2
128.03526	100.0
129.01923	0.7
129.03856	0.7
161.04570	0.3
179.05598	1.6
200.05667	0.7
221.06645	1.3
246.05492	0.2
249.88385	0.2
290.08911	0.9
323.10007	0.8
341.10931	0.2
503.16245	9.6
596.19019	0.3
632.20892	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	633.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10287	0.1
53.87681	0.1
55.01878	0.2
56.58030	0.1
57.03453	7.7
57.15539	0.1
59.01107	0.2
59.01382	3.7
61.98827	0.3
66.25841	0.2
71.01377	3.6
73.02946	0.7
83.01379	0.3
85.02940	1.8
87.00876	0.7
89.02435	2.0
95.01362	0.2
96.95992	0.4
97.02942	0.2
99.00885	0.4
99.04502	2.0
101.02427	5.6
113.02440	1.9
116.92844	0.2
119.03493	0.4
122.03732	3.1
123.04519	0.2
125.02424	3.2
134.03769	0.6
143.03488	1.0
150.03217	100.0
150.38132	0.2
150.58945	0.2
151.03587	0.7
153.09306	0.2
161.04570	1.4
165.05557	90.3
166.05930	1.2
179.05609	1.1
191.07011	0.2
193.05058	0.8
205.12367	0.2
221.06680	1.1
235.06297	0.2
245.06647	1.0
263.07675	1.1
287.07715	0.3
305.08676	0.7
323.09839	5.6
365.11057	1.5
406.65961	0.2
453.17746	0.2
467.14139	0.3
489.16330	1.4
529.23767	0.2
531.17047	0.3
547.24402	1.3
573.46637	0.2
589.25403	0.4
633.20319	6.1
634.21478	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49506	0.1
53.23913	0.1
53.93215	0.1
57.36901	0.1
59.01379	0.4
73.02944	2.6
75.00876	0.2
75.20055	0.1
87.23619	0.1
92.49271	0.1
92.65685	0.1
92.92904	0.1
96.18636	0.1
99.00861	1.3
99.92573	9.2
114.93415	0.5
115.99887	0.1
116.03533	0.3
116.07166	0.3
116.92850	100.0
116.97202	0.9
117.01927	4.2
117.02583	0.1
117.05586	0.1
117.92843	0.7
136.77045	0.1
168.98830	0.1
253.80652	0.1
255.23149	0.1
270.24884	0.1
279.23404	0.1
573.24103	0.1
659.71149	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	633.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22142	0.1
59.01378	0.1
73.02946	1.9
75.00852	0.1
92.92898	0.1
99.00871	0.8
99.20207	0.1
99.92577	9.3
100.80644	0.1
100.93368	0.1
114.93403	0.4
115.99910	0.1
116.03544	0.1
116.07171	0.1
116.92854	100.0
116.97229	0.6
117.01089	0.1
117.01928	2.8
117.05584	0.1
117.92867	1.0
124.70840	0.1
151.37485	0.1
192.24968	0.1
196.04367	0.1
279.23358	0.1
357.59579	0.1
368.37009	0.1
421.16751	0.1
546.85419	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	633.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
60.01737	0.3
68.08595	0.2
69.63287	0.2
74.40862	0.2
78.95912	0.3
97.25625	0.2
100.69915	0.3
116.92866	0.5
141.01692	39.6
159.28143	0.3
171.10381	0.4
255.23317	2.6
275.06516	0.4
337.23688	0.4
346.41034	0.3
369.21658	1.0
513.29517	0.4
573.31134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91463	0.1
59.01374	0.2
61.98824	0.3
64.07524	0.1
73.02930	0.5
78.95898	2.3
99.92574	6.0
103.75747	0.1
114.93417	0.5
116.92849	100.0
116.97231	2.9
117.01900	0.9
117.34298	0.1
117.92831	1.0
134.18051	0.1
136.93193	1.1
145.93268	0.2
171.70029	0.1
172.77176	0.1
177.95908	0.4
178.94261	1.3
190.26607	0.1
190.94290	0.1
193.95392	0.3
194.93741	0.4
196.95363	0.2
196.97137	0.1
203.40613	0.1
239.98965	0.1
245.86462	0.1
277.21783	0.7
403.65512	0.1
438.17346	0.5
440.18735	1.0
458.20074	0.6
464.74564	0.1
500.21051	0.2
502.18921	0.1
514.22461	2.2
574.24994	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	634.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82294	0.1
59.01382	0.2
61.98829	0.1
68.83385	0.1
73.02938	0.7
78.95899	0.2
89.33153	0.1
99.92578	5.8
114.93423	0.5
116.07168	0.1
116.92851	100.0
116.97215	2.0
117.01920	1.1
117.92831	0.8
136.93245	0.1
141.92441	0.1
153.80212	0.1
277.21783	0.2
502.29675	0.1
515.87024	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	634.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99185	0.4
55.01869	1.3
55.95383	0.5
57.03440	0.6
57.94033	0.4
58.00589	2.8
59.01382	58.4
62.38248	0.5
64.34594	0.5
69.03452	0.8
71.01377	53.7
72.99298	2.2
73.02940	4.4
75.00869	1.2
83.01382	2.1
85.02945	10.7
87.00868	9.4
88.04010	0.8
89.02435	74.5
90.85187	0.5
95.01383	3.1
97.02941	2.8
99.00874	1.1
101.02428	23.8
111.00914	0.9
113.02438	23.4
119.03485	8.0
125.02434	3.9
128.03508	4.2
129.01932	4.2
129.03856	0.6
129.63156	0.5
130.05072	0.9
130.08730	16.4
131.03523	4.5
131.04457	0.6
143.03487	5.7
149.04553	2.3
161.04530	6.7
179.05609	21.9
221.06688	14.8
251.07860	0.7
281.08688	1.1
323.09741	5.2
341.10983	2.6
377.58817	0.6
503.16226	100.0
504.16446	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	634.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99185	0.4
55.01869	1.3
55.95383	0.5
57.03440	0.6
57.94033	0.4
58.00589	2.8
59.01382	58.4
62.38248	0.5
64.34594	0.5
69.03452	0.8
71.01377	53.7
72.99298	2.2
73.02940	4.4
75.00869	1.2
83.01382	2.1
85.02945	10.7
87.00868	9.4
88.04010	0.8
89.02435	74.5
90.85187	0.5
95.01383	3.1
97.02941	2.8
99.00874	1.1
101.02428	23.8
111.00914	0.9
113.02438	23.4
119.03485	8.0
125.02434	3.9
128.03508	4.2
129.01932	4.2
129.03856	0.6
129.63156	0.5
130.05072	0.9
130.08730	16.4
131.03523	4.5
131.04457	0.6
143.03487	5.7
149.04553	2.3
161.04530	6.7
179.05609	21.9
221.06688	14.8
251.07860	0.7
281.08688	1.1
323.09741	5.2
341.10983	2.6
377.58817	0.6
503.16226	100.0
504.16446	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	635.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44186	0.5
55.01880	3.1
57.03448	3.4
58.00592	0.9
58.02960	0.9
59.01383	100.0
63.34081	0.6
67.16695	0.5
69.03445	0.6
71.01377	56.6
72.99285	3.3
73.02939	23.5
83.01398	7.0
85.02950	19.8
87.00875	2.4
89.01878	1.3
89.02431	29.5
95.01377	5.5
97.02953	1.4
99.00874	3.6
101.02433	30.5
102.78838	0.7
113.02441	32.1
119.03478	9.7
124.01603	1.1
125.02427	1.3
131.03545	0.7
132.02161	0.7
134.03751	3.3
137.09718	2.4
138.38315	0.7
143.03508	3.3
149.04558	0.7
149.06050	0.6
159.02939	1.0
160.01665	3.2
161.04561	6.5
164.07146	1.1
167.03366	0.6
175.03996	1.3
179.05600	3.7
189.12752	0.9
193.05144	2.2
195.48862	0.6
197.04619	0.8
206.08173	1.0
207.13895	1.0
323.09644	0.7
369.19263	3.7
371.51962	0.7
387.20355	0.7
531.24542	53.1
532.24847	2.3
549.25580	27.1
550.26373	0.8
591.26715	13.4
635.21625	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82103	0.2
56.00111	0.2
59.01154	0.2
59.01394	4.1
68.45406	0.2
73.02953	0.4
76.56936	0.3
78.95907	3.3
79.57092	0.2
86.08501	0.2
99.92577	9.9
114.93404	0.3
116.92850	100.0
116.97248	2.9
117.01952	0.9
117.92883	1.3
125.38312	0.2
141.01689	1.5
147.00220	0.2
148.72060	0.2
152.99597	0.5
255.23260	1.1
304.16125	0.2
478.32925	0.3
589.20056	0.3
635.36090	1.2
652.95776	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08094	0.1
54.82182	0.1
57.45618	0.1
59.01381	0.4
61.98848	0.2
71.14378	0.1
71.37303	0.1
73.02941	0.5
78.95902	0.5
99.00841	0.1
99.92576	9.2
105.06451	0.1
114.93405	0.5
116.92848	100.0
116.97229	2.8
117.01942	1.1
117.92878	1.1
124.34868	0.1
152.99597	0.4
187.79381	0.1
206.06097	0.1
220.58913	0.1
235.68571	0.1
255.23183	0.3
277.62006	0.1
281.24802	0.1
373.71716	0.1
395.09097	0.1
635.35925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15615	0.8
51.90671	0.8
53.31575	0.9
53.96696	0.8
54.82920	0.8
59.01386	100.0
63.15480	0.8
67.13950	1.0
71.01387	1.6
73.34992	0.9
89.02415	1.1
119.03508	1.3
180.26828	1.1
282.61337	1.0
395.90231	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.526
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22745	0.1
59.01377	0.3
64.34597	0.2
75.58171	0.1
89.69960	0.2
99.46267	0.1
121.66786	0.1
128.89157	0.1
180.43495	0.1
224.62924	0.2
261.21970	0.2
279.23276	100.0
280.23611	1.8
413.61166	0.2
617.06183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26761	0.3
54.82442	0.3
57.70646	0.3
61.98833	0.4
66.80183	0.3
71.27206	0.3
83.05016	0.5
96.33056	0.3
106.91233	0.3
137.57953	0.3
173.55740	0.3
188.06305	0.3
279.23291	100.0
280.23706	0.5
429.33603	0.4
566.72583	0.4
631.75732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
64.58269	0.1
73.02946	0.6
73.50330	0.1
85.14275	0.1
97.27177	0.1
99.00983	0.1
99.92587	5.9
100.92582	0.2
114.93430	0.3
116.07114	0.1
116.92857	100.0
117.01959	0.8
117.92872	2.4
279.23401	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	636.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34211	0.1
73.02930	0.2
76.57046	0.1
77.09660	0.1
78.95863	0.2
99.92576	5.8
112.75311	0.1
114.93389	0.2
116.92848	100.0
116.97187	1.3
117.01935	0.9
117.92860	1.8
122.02480	0.3
136.33063	0.1
279.23434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.35
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62183	0.8
59.01386	100.0
61.98825	1.2
77.74769	0.9
115.96760	0.8
116.92850	6.9
141.01691	45.2
145.45563	0.8
149.76346	0.8
197.57361	0.8
197.80995	0.8
255.23293	5.4
480.30896	1.8
645.21527	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.178
Annotation	Demethoxycentaureidin 7-O-rutinoside
Peak:m/z	Relative Intensity
59.01158	0.1
59.01389	2.2
71.01366	0.7
73.02920	0.4
89.02422	0.2
89.94136	0.2
96.95937	0.2
101.02425	0.4
113.02403	0.4
116.92856	1.4
153.09193	0.4
160.01660	0.8
161.02457	0.2
173.69048	0.2
183.33525	0.2
198.03281	0.4
199.04053	0.3
201.01782	0.2
202.02742	0.4
215.03648	0.2
226.02747	1.4
227.03456	0.4
229.01506	0.3
242.02214	0.9
243.02969	8.0
255.02980	0.2
268.03891	0.7
269.04465	1.0
270.01645	3.1
271.02484	19.8
272.02875	1.2
284.03189	0.9
285.04056	6.6
286.04263	0.2
297.04083	0.2
299.01971	33.9
300.02499	2.6
312.02881	0.4
313.03580	8.0
313.07196	0.3
314.04337	27.6
315.05005	2.6
327.05118	0.3
328.02368	0.4
328.06046	1.2
329.06680	100.0
330.07016	4.9
343.04681	0.3
477.10480	0.4
504.33798	0.2
515.29010	0.3
533.29803	0.9
587.08881	0.2
593.32147	0.3
607.12781	0.3
637.17700	4.2
638.17816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.7
62.14997	0.1
64.17315	0.1
71.01389	19.8
72.99310	4.2
85.59664	0.2
85.87949	0.1
87.00900	1.1
88.04060	1.2
89.02442	2.9
93.75553	0.2
113.03629	0.3
113.79604	0.2
114.01929	0.6
115.00375	59.6
116.00703	0.3
118.85454	0.2
131.04640	1.0
132.03032	2.5
133.01431	100.0
134.01816	0.8
295.10468	0.2
427.15479	0.2
484.39185	0.2
503.16422	0.2
528.15906	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94490	0.2
59.01370	0.4
71.01378	19.7
72.99300	4.1
79.65656	0.2
79.68026	0.2
87.00854	0.3
89.02438	3.1
92.12430	0.4
115.00359	61.2
116.00739	0.3
132.02954	0.2
133.01419	100.0
134.01686	0.3
168.83440	0.2
185.23581	0.2
291.95401	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
72.49151	0.2
73.02945	0.9
74.89555	0.2
78.95926	0.4
81.56759	0.2
96.95135	0.2
99.92572	6.3
114.93392	0.4
116.92850	100.0
116.97252	4.0
117.01944	1.2
117.92862	2.5
179.28229	0.2
255.23283	0.4
281.24918	0.9
410.53275	0.2
443.60339	0.2
446.48355	0.2
506.32965	0.4
575.85834	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.277
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62180	0.1
59.01366	0.2
61.98815	0.3
62.28855	0.1
63.00669	0.1
73.02919	0.3
75.80003	0.2
78.95914	0.2
79.56703	0.1
92.11767	0.4
92.65232	0.2
92.83868	0.1
99.92576	5.8
114.93421	0.2
115.66587	0.2
116.92854	100.0
116.97249	3.4
117.01936	1.0
117.92857	2.3
122.02446	0.2
143.04556	0.3
189.08186	0.1
272.50424	0.2
281.24924	0.3
312.31900	0.2
370.95175	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33852	2.3
59.01381	37.8
62.09570	2.4
62.65334	2.1
69.88750	2.7
71.01379	29.5
73.02934	6.7
83.01410	3.4
85.02962	9.9
87.00880	3.7
89.02415	12.1
89.54032	2.3
89.82196	2.2
101.02402	10.9
113.02415	6.2
116.92822	10.9
123.00900	24.4
124.01622	18.2
125.02421	5.4
132.02180	20.3
134.03745	54.8
139.04041	5.1
149.02423	3.1
149.06042	11.2
153.01981	4.2
160.00429	4.5
160.01656	91.8
164.04866	2.8
168.09351	3.0
175.00464	3.8
175.03992	100.0
176.04808	4.2
190.02638	5.1
191.07132	6.8
193.05045	32.6
235.06067	30.0
286.91641	3.2
295.08160	5.1
397.11176	3.7
457.51953	2.8
497.13391	3.2
499.14694	33.0
535.31689	19.1
553.32086	5.1
569.06238	3.1
574.08179	3.3
639.19397	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76608	0.3
57.03447	1.5
57.48873	0.3
59.01376	0.8
71.01383	0.4
73.08530	0.4
73.20959	0.3
79.05537	0.4
97.02927	0.5
97.94756	0.3
105.07161	0.4
109.02933	3.0
109.06564	1.6
113.02442	0.4
116.92836	0.5
118.64072	0.3
118.74828	0.4
119.08686	0.5
121.02932	0.7
122.03729	0.7
123.08183	0.6
124.05303	3.4
125.06067	4.1
139.07648	5.8
147.08156	27.9
148.08444	0.4
149.06082	1.7
149.09709	2.2
151.07645	3.2
158.07333	3.7
161.06064	1.7
164.08408	9.4
165.09196	36.7
167.50424	0.4
173.09711	9.6
175.07631	2.5
176.08406	2.4
182.05858	0.7
182.54250	0.4
190.10069	0.5
191.10785	37.4
208.07335	0.4
209.11839	36.4
210.12239	0.6
232.41837	0.4
252.32523	0.4
253.10822	100.0
254.11136	1.8
595.20703	0.7
652.60376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45163	0.4
54.15075	0.3
55.52453	0.3
57.03452	1.7
59.01376	1.6
61.79883	0.3
65.97268	0.4
68.95412	0.4
70.01240	0.4
71.01340	0.5
71.05051	0.4
81.03459	0.5
83.04980	0.5
89.02432	0.4
93.03477	0.4
95.05020	0.5
105.07135	0.5
108.02150	0.4
109.02933	3.6
109.06552	0.8
111.04524	0.7
121.02953	0.5
121.06607	0.5
122.03707	0.5
123.04588	0.5
123.08212	0.5
123.28145	0.4
124.05271	3.8
125.06056	4.7
135.04483	0.7
139.07639	6.6
147.08153	32.1
149.06090	1.6
149.09711	2.4
151.07610	4.3
157.06441	0.4
158.07370	4.4
161.06087	1.7
164.08440	9.4
165.09196	41.2
173.09697	11.8
175.07632	2.5
176.08464	1.6
182.05786	0.5
191.10780	45.3
195.92192	0.4
196.07445	0.5
208.07460	0.7
209.11838	40.8
214.15570	0.4
253.10817	100.0
254.11002	0.8
295.67627	0.5
298.09442	0.6
315.81860	0.4
319.17270	0.4
491.54803	0.5
531.70929	0.5
595.19940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	51.6
59.01641	5.8
59.50015	4.1
71.01376	32.3
80.21964	5.0
89.02437	36.5
101.02442	12.1
113.02448	12.2
116.92846	6.2
119.03493	9.5
135.60706	5.2
162.44472	6.0
179.05542	6.6
278.98764	5.2
279.23300	100.0
323.09854	22.8
341.10889	52.6
415.89517	5.5
439.72589	7.0
513.90070	5.4
603.33789	45.6
639.31335	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	639.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73880	1.2
52.03116	1.2
55.01859	1.8
57.03425	2.9
59.01386	82.3
59.01686	2.6
61.98841	1.6
71.01380	38.0
72.99271	1.7
73.02950	23.2
83.01383	7.6
85.02956	19.9
87.00848	5.9
87.04498	2.6
89.02442	25.5
92.63986	1.8
95.01366	3.7
97.02965	1.9
99.00850	2.4
101.02431	34.0
111.00847	1.9
113.02448	22.5
115.49997	1.5
116.92873	12.5
119.03465	9.4
125.02442	2.7
137.09723	8.2
160.01672	3.8
161.04562	3.5
175.03993	2.3
189.96298	1.6
214.69331	1.8
217.14449	8.7
219.54961	1.6
275.93964	1.8
373.25735	3.6
391.26846	11.1
397.11551	1.6
535.31317	100.0
536.31635	2.6
553.32190	26.0
595.33606	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	639.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96435	1.2
57.03445	1.7
58.00592	1.3
59.01106	2.3
59.01385	52.0
61.98819	3.4
66.31767	1.5
69.03471	1.3
71.01037	2.1
71.01386	38.6
73.02950	6.9
73.07185	1.4
78.95897	8.6
83.01373	7.8
85.02954	10.3
87.00878	36.8
89.02440	29.8
95.01369	1.8
97.90702	1.3
99.24063	1.6
99.92567	2.3
101.02447	23.0
113.02443	21.4
116.92859	52.1
116.97280	2.3
117.92860	19.0
119.03474	3.6
119.08597	1.6
123.29568	1.6
125.02461	1.4
141.01726	3.1
143.03517	6.0
158.78943	1.6
161.04521	9.5
179.05591	6.4
184.38815	1.6
190.62474	1.5
239.23819	2.2
255.23309	100.0
267.23312	2.1
269.24857	56.3
273.91019	1.7
279.23196	2.5
297.24316	11.1
313.23819	2.1
323.09851	22.8
341.10907	39.1
358.69510	1.6
579.26697	1.8
579.33990	24.7
629.68451	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	639.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
56.42135	0.8
58.00604	1.0
59.01383	56.6
61.98828	0.8
71.01379	38.1
72.99287	1.1
73.02942	1.4
78.95887	1.8
83.01392	3.4
85.02949	7.3
87.00857	7.1
89.02437	46.0
92.12482	1.0
95.01365	3.1
99.00871	0.8
101.02415	17.0
113.02443	18.3
114.61949	0.7
116.92847	5.6
117.92853	1.7
119.03475	16.8
131.03484	1.2
143.03491	3.3
152.99574	1.2
161.04535	5.8
179.05605	11.3
255.23306	100.0
256.23737	1.2
269.24881	6.3
297.24341	3.4
323.09848	19.4
327.01349	0.8
341.06863	1.7
341.10883	38.8
357.25867	1.0
384.69412	0.8
500.17679	0.9
579.33838	28.7
580.33978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49257	0.4
59.01390	4.8
61.98836	100.0
63.02394	0.9
71.01377	1.0
72.99269	0.5
73.02940	2.0
75.00837	0.7
76.41483	0.5
83.83181	0.6
85.02953	0.9
89.02460	0.7
101.02426	0.6
109.33746	0.6
114.79648	0.6
116.92854	6.8
117.03458	2.0
117.92869	2.3
149.02390	0.6
152.58006	0.5
153.81000	0.6
160.01627	0.8
161.02379	0.7
186.48590	0.5
225.05499	0.6
268.03741	2.2
269.04575	80.8
270.04938	4.2
271.05237	1.1
476.50256	0.6
500.90311	0.7
527.02319	0.7
577.15601	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	640.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68512	0.2
59.01397	0.3
59.26415	0.2
60.13943	0.2
68.52267	0.2
70.77965	0.2
73.02941	0.4
76.12495	0.2
76.26927	0.2
84.11600	0.2
86.70468	0.2
88.66126	0.2
99.92571	5.9
116.92846	100.0
116.97215	5.0
117.01928	1.3
117.92857	1.7
212.07256	0.2
212.11942	0.2
283.26575	0.4
619.04419	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73583	0.8
59.01378	2.1
61.98825	1.1
62.27597	0.9
76.25794	0.9
78.95907	100.0
92.12437	1.0
116.92835	2.2
135.65773	1.1
136.93207	14.7
152.92686	8.2
152.99588	4.2
178.94286	29.4
190.94270	1.6
194.93765	44.8
196.95381	5.2
208.95384	2.4
212.94817	8.6
220.95311	2.5
226.96394	6.0
229.51009	1.1
250.96529	10.8
255.23325	8.3
268.97406	9.3
270.67133	1.2
279.23291	1.2
282.99045	15.8
283.29181	1.2
297.76154	1.2
313.21063	1.2
324.99936	8.0
326.98187	1.9
343.01135	63.8
375.16220	11.4
391.15695	8.6
393.17584	1.9
447.18503	2.4
447.25394	1.2
465.19116	1.4
521.22150	10.3
581.24402	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	641.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.9
68.49165	1.0
71.01372	1.2
81.03450	14.8
83.05020	52.3
100.07674	6.8
199.18173	13.0
212.80119	1.0
224.17732	1.4
225.16142	10.3
243.17130	28.5
353.20865	8.4
405.29810	1.2
410.25336	1.2
451.33075	2.0
469.34137	16.5
553.38995	1.4
579.37634	7.7
597.38837	13.4
641.41406	100.0
642.41644	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	642.132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21047	0.7
59.01382	1.8
69.14135	0.7
70.76752	0.7
71.01370	0.7
73.63206	0.7
92.78284	0.8
107.05096	0.7
107.51068	0.8
109.02994	1.8
109.06585	0.9
112.24823	0.8
116.92852	1.1
119.05013	0.7
121.01020	0.7
123.04501	0.8
125.05980	0.9
128.10272	0.8
133.02930	7.3
134.03748	1.0
137.10930	0.8
139.03864	0.7
139.07607	1.5
147.08148	10.4
148.08450	1.5
151.07721	0.8
158.28258	0.7
161.06169	0.8
164.08446	3.9
165.05717	0.7
165.09210	14.7
166.09566	1.5
173.09705	3.8
174.09903	1.0
175.04004	3.5
177.01968	1.5
191.10780	19.1
192.11099	4.7
203.03558	1.4
209.11798	15.7
210.12218	3.6
253.08153	1.2
253.10817	36.3
254.11176	9.1
283.06058	0.9
297.03903	3.4
298.04886	10.8
299.05536	3.3
310.04752	1.1
311.05551	6.9
312.06378	11.7
313.07120	9.2
323.05576	1.2
325.07336	1.6
327.05136	6.2
339.05084	12.4
341.06628	5.3
351.05017	1.2
353.06558	5.7
357.05872	0.9
369.06171	47.0
371.07709	0.8
381.06085	6.0
383.07742	1.1
397.05652	0.9
399.07214	37.9
400.07391	1.6
411.07288	3.5
413.08670	0.9
429.08295	9.1
441.08411	1.6
453.07907	1.0
459.09323	3.2
471.09155	3.5
489.10431	11.2
519.11444	1.7
528.23126	1.2
579.13605	100.0
580.14288	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	644.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
61.93827	0.2
61.98841	100.0
71.01400	0.3
74.75673	0.2
91.57936	0.2
101.02431	0.2
115.56911	0.2
127.02056	0.2
149.09718	1.8
178.53911	0.2
199.81488	0.2
219.87335	0.2
644.27856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01953	2.0
57.03190	4.3
57.03455	100.0
59.01142	2.8
59.01384	46.6
61.36929	2.2
71.01370	10.3
71.36344	2.1
80.07981	2.7
81.03455	2.5
83.01383	4.9
85.02937	13.2
96.95994	6.4
99.04510	43.4
101.02416	19.4
113.02423	5.6
130.08701	2.9
132.36272	2.6
143.03531	3.5
144.96649	2.5
240.45129	3.0
296.98465	2.5
501.30688	23.0
543.31787	3.2
645.35223	44.2
646.35577	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	645.387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82512	0.1
59.62460	0.1
74.76902	0.1
76.57288	0.1
81.03432	0.3
81.48498	0.1
83.05039	1.2
89.03967	2.6
94.10265	0.1
102.99352	0.1
106.04269	0.7
117.03461	11.4
118.03799	0.1
134.03732	100.0
135.04050	1.2
137.02454	0.5
149.06076	5.7
149.09720	1.7
165.05524	0.1
178.02594	1.1
193.05055	61.5
194.05460	1.2
207.14896	0.1
209.64226	0.1
224.17809	0.2
225.16127	0.8
225.57857	0.1
333.22800	0.2
360.04633	0.2
361.96671	0.2
367.27161	0.1
433.31793	0.7
451.32907	11.3
452.33081	0.6
488.60565	0.1
518.75232	0.1
645.38519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53276	0.2
55.01891	0.5
56.07639	0.2
57.03453	0.8
58.00602	1.4
59.01385	53.8
70.28822	0.2
71.01381	26.6
72.99304	2.1
73.02954	0.4
79.24235	0.2
83.01411	1.5
85.02942	5.5
87.00883	0.4
89.02438	37.6
95.01374	2.2
96.95994	0.2
98.30388	0.2
99.00854	0.4
99.08152	0.3
101.02433	20.7
113.02442	11.4
113.03234	0.2
119.03486	16.0
131.03497	1.4
134.02536	0.2
135.04575	0.2
143.03494	1.0
143.07187	0.3
149.04623	0.7
161.04553	0.4
161.08200	1.1
179.05602	1.4
194.67567	0.2
236.22554	0.2
323.13516	100.0
324.13913	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	647.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76595	1.8
57.03453	93.3
59.01114	2.0
59.01382	55.8
63.12077	1.9
71.01371	17.0
73.02928	3.8
73.87997	1.9
83.01380	2.6
85.02934	9.4
89.02416	3.5
99.04511	36.6
101.02425	36.7
113.02438	7.9
154.49933	2.5
161.04675	3.1
251.39046	2.0
394.24319	2.2
417.56570	3.3
485.31274	21.4
503.32266	22.4
534.68451	2.1
545.33051	2.9
647.36523	100.0
648.37036	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	647.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49583	0.9
53.10480	0.8
53.33400	0.8
55.01873	1.7
57.03454	100.0
57.96811	0.9
59.01385	57.3
59.01683	2.0
71.01376	21.2
73.02937	8.4
75.00813	0.9
83.01392	7.2
85.02946	11.6
89.02427	4.8
96.96033	1.5
99.00855	4.2
99.04516	44.2
101.02435	38.5
113.02451	10.0
123.23081	0.9
125.02385	2.4
143.03484	1.3
161.04575	8.9
171.56598	0.9
172.75491	1.1
189.41325	1.4
195.47209	1.1
261.44839	1.0
324.73093	1.2
357.22778	1.9
369.22736	1.0
375.24020	13.2
387.23959	2.4
429.24945	1.2
485.31271	12.3
503.32114	13.4
545.32983	1.8
568.46222	1.2
647.36560	92.8
648.37115	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	649.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15132	0.2
58.40599	0.3
59.01369	0.6
62.39092	0.3
70.10093	0.2
72.00900	2.3
74.02457	2.0
74.02826	0.3
74.75385	0.3
77.28004	0.3
80.06766	0.3
93.03433	1.4
99.97211	1.0
108.97201	7.4
116.05058	8.2
116.45908	0.3
125.92130	0.3
127.96615	0.4
130.06615	40.8
136.77654	0.3
136.96657	0.5
137.02437	1.5
142.06596	2.7
144.04556	1.3
145.97762	0.5
154.97765	8.0
156.99316	1.3
157.07722	1.8
158.06009	0.3
159.09312	4.1
184.70891	0.3
200.98314	1.2
203.08279	7.2
213.03488	27.7
214.03944	0.4
219.07896	0.6
219.43739	0.3
222.03513	3.1
223.01926	1.6
238.03079	0.8
240.04564	0.6
241.03261	2.6
241.05948	0.5
257.02377	0.5
259.04010	24.9
268.04037	15.3
290.45535	0.3
303.03116	0.6
307.49426	0.3
314.04648	22.9
316.06018	1.2
319.82916	0.3
347.04471	2.4
372.10455	0.4
399.11484	0.6
401.13019	1.4
427.10950	1.5
445.12006	100.0
446.12320	3.2
498.15381	0.3
555.63873	0.4
591.79132	0.4
649.21100	8.5
650.21643	0.4
669.65332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42812	2.1
55.01881	2.4
57.03452	80.3
59.01386	41.5
61.98856	1.8
68.81496	2.1
71.01375	17.3
73.02930	4.0
83.01359	3.2
85.02935	11.8
89.02435	2.6
96.95975	11.6
99.04500	27.3
101.02427	27.2
107.48114	2.5
113.02425	9.9
117.01898	2.3
129.52498	2.2
161.04549	2.8
179.15486	2.1
225.50716	2.5
235.52748	2.5
265.06201	2.3
286.75677	2.7
318.28824	2.3
487.32635	13.0
505.33832	14.8
547.35895	2.7
637.65808	2.7
649.38190	100.0
650.38605	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	649.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00612	5.2
61.98847	0.8
71.15902	0.6
73.81290	0.7
85.49203	0.7
95.05006	3.4
97.06587	0.9
99.08152	24.9
102.77912	0.7
116.92825	1.3
126.97446	0.7
127.07691	6.4
129.09216	56.2
169.07095	1.2
175.61348	0.8
181.12311	4.0
183.13904	50.9
184.54208	0.6
195.13942	3.8
196.55237	0.7
203.10542	1.0
219.10193	0.8
221.11661	1.3
223.13174	12.7
235.09583	1.1
237.11115	1.0
251.01340	0.7
264.13486	1.0
265.10623	1.2
267.12115	8.7
277.21710	2.7
278.11429	3.8
295.22812	10.2
299.19885	1.0
313.23889	100.0
314.24271	1.5
315.19534	1.1
317.20987	8.0
331.18854	1.2
333.20074	0.9
335.22098	60.6
353.21829	1.7
367.19955	7.1
379.20972	3.9
417.52756	0.8
481.36322	0.9
568.43695	0.9
649.46088	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	651.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67102	2.1
57.98966	1.6
59.01143	2.1
59.01386	33.9
61.98811	1.7
66.45959	1.8
68.46105	1.8
71.01382	26.3
73.02940	4.4
73.04584	1.8
85.02935	8.4
87.00851	3.7
89.02442	17.2
92.66381	1.9
96.63192	2.2
97.02910	3.1
101.02419	12.7
107.49020	1.8
113.02426	9.7
115.00343	4.7
116.92838	3.4
117.03465	2.5
119.01353	3.4
119.03481	7.9
121.02936	15.2
121.05072	13.9
125.02402	2.3
132.02176	3.3
133.01389	8.9
134.03748	19.5
147.04506	4.7
149.02434	86.2
149.06013	2.7
160.01665	13.4
164.03506	3.9
164.04785	61.5
175.00375	37.8
175.04004	18.5
179.05635	3.3
179.07121	4.7
190.02718	100.0
193.05087	11.0
198.20149	2.0
205.05074	95.1
208.03725	3.9
222.41237	2.3
223.06122	77.0
445.15817	2.8
489.16159	7.6
651.21503	72.5
652.21332	4.2
668.09998	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	651.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52852	0.6
59.01386	100.0
61.98810	1.0
63.92584	0.5
71.01367	4.1
85.02930	1.0
89.02433	6.7
92.11855	0.9
101.02437	3.0
113.02399	1.1
119.03500	1.3
134.89459	1.0
145.14372	0.6
157.80264	0.7
179.05605	1.2
190.33051	0.7
242.52229	0.7
247.11702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82776	11.5
59.01367	10.1
74.75492	10.7
78.95896	15.3
127.07626	52.5
134.61523	11.1
144.16104	11.0
150.52596	10.5
171.06670	100.0
219.96608	9.8
473.28763	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	653.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51664	1.0
56.93567	1.3
58.49084	1.0
59.01367	5.8
71.01369	4.5
71.74240	1.3
78.01985	1.3
82.48243	1.2
83.08758	1.2
99.92603	1.8
113.02424	1.5
116.92845	36.3
119.78124	1.3
133.02959	1.1
134.03758	1.5
143.34155	1.3
148.13907	1.3
151.00345	2.9
193.05194	1.4
203.03517	1.4
207.89687	1.4
214.02724	1.4
215.03493	1.7
229.53627	1.4
230.02132	6.4
231.02911	1.6
241.01472	2.8
242.02182	17.4
243.02950	7.6
245.85439	1.2
255.65327	1.3
258.01779	9.6
259.02481	12.5
263.02774	1.2
269.00888	2.0
270.01700	14.9
271.02393	9.7
272.03183	2.9
273.04007	10.5
274.01257	2.5
285.03906	1.8
286.01089	16.9
287.01993	18.7
298.01291	6.6
299.01968	2.1
300.02939	1.5
301.03516	15.3
314.00589	5.5
315.01498	31.9
315.04895	2.5
316.05844	1.8
317.06757	1.5
329.03052	66.7
329.06940	2.7
330.03839	36.3
343.04681	1.8
344.01251	1.9
344.05328	36.6
345.06146	100.0
354.91553	1.4
400.55206	1.2
634.11566	1.4
653.17310	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84338	0.3
53.42037	0.4
54.82667	0.4
59.01371	1.7
71.01374	0.7
73.02927	0.5
74.42565	0.3
77.28191	0.3
81.33911	0.4
89.02409	0.5
91.75125	0.3
96.65337	0.4
98.40215	0.4
99.92579	3.2
109.51945	0.4
114.93410	0.6
115.92034	0.5
116.92842	36.1
117.92847	1.5
188.50862	0.4
226.02565	0.5
243.02962	4.2
270.01611	1.5
271.02460	19.8
272.02835	0.7
285.04034	4.0
299.01968	40.8
300.02472	1.7
313.03458	5.1
314.04333	31.7
315.04813	0.9
329.06680	100.0
330.06863	4.0
566.30835	0.4
608.62109	0.4
635.10870	0.4
653.17474	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	655.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82443	1.4
55.01877	5.7
57.03461	1.4
58.00606	1.9
58.60716	1.0
59.01390	100.0
61.34845	1.0
64.34233	1.0
65.21134	0.9
69.03448	4.6
71.01389	88.0
72.99316	1.4
73.02954	27.2
81.03485	1.5
82.40382	1.2
83.01384	9.1
85.02527	1.6
85.02962	21.5
87.00873	12.2
87.37011	1.2
89.02444	86.0
93.34086	1.0
93.83572	1.3
95.01384	6.3
97.02959	9.7
99.00850	5.2
101.02436	78.5
111.00858	5.5
113.01711	1.9
113.02448	42.3
119.03491	28.6
125.01531	2.2
125.02436	48.8
131.03485	14.6
139.00432	9.1
139.04114	1.2
143.03484	10.2
153.01933	2.4
154.02722	9.6
159.02902	2.3
161.04526	27.6
169.04956	1.3
179.05612	68.6
185.22717	1.6
186.29205	1.1
198.75336	1.3
221.06670	28.4
263.07684	1.5
323.09814	5.3
383.11935	9.0
407.12119	2.4
425.13098	5.6
485.15210	8.7
609.83368	1.3
655.21075	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	655.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72566	0.3
58.34309	0.3
61.28730	0.3
64.34563	0.3
64.92912	0.3
78.59164	0.4
115.67062	0.4
123.30023	0.4
124.98695	0.3
129.48900	0.3
132.77669	0.4
152.96317	0.3
220.79362	0.4
301.21729	100.0
302.21994	3.2
453.53394	0.4
510.23105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	25.4
71.01382	21.2
73.02930	1.6
85.02949	3.9
86.92780	0.9
87.00854	5.3
89.02435	38.3
90.88161	0.8
95.01413	1.0
101.02430	15.8
113.02428	12.1
119.03480	6.5
131.03534	1.0
135.98198	0.8
143.03503	4.5
144.23782	0.8
149.04620	1.4
152.99591	1.3
161.04584	5.0
176.68086	0.9
179.05592	19.5
199.39813	0.8
221.06725	14.4
276.89301	0.9
341.11050	1.1
377.08578	4.3
408.56982	0.9
456.76782	0.8
461.81024	1.0
503.16248	41.1
504.16995	1.3
539.13904	100.0
540.14075	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	656.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	25.4
71.01382	21.2
73.02930	1.6
85.02949	3.9
86.92780	0.9
87.00854	5.3
89.02435	38.3
90.88161	0.8
95.01413	1.0
101.02430	15.8
113.02428	12.1
119.03480	6.5
131.03534	1.0
135.98198	0.8
143.03503	4.5
144.23782	0.8
149.04620	1.4
152.99591	1.3
161.04584	5.0
176.68086	0.9
179.05592	19.5
199.39813	0.8
221.06725	14.4
276.89301	0.9
341.11050	1.1
377.08578	4.3
408.56982	0.9
456.76782	0.8
461.81024	1.0
503.16248	41.1
504.16995	1.3
539.13904	100.0
540.14075	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	656.342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35336	0.3
59.01353	0.4
60.83858	0.4
61.98823	1.0
78.95892	18.9
79.59034	0.4
85.13666	0.4
92.12395	1.4
122.00091	1.0
124.29044	0.5
140.01172	6.9
151.23439	0.4
152.99583	1.0
158.69334	0.4
196.03793	9.6
214.04941	2.6
261.22171	0.6
270.02502	0.5
279.23291	100.0
280.23611	4.0
341.43234	0.4
476.27856	48.8
477.28131	2.4
562.29303	0.5
614.66724	0.5
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
59.01384	100.0
65.59692	0.2
96.99307	0.6
123.07749	0.3
124.32967	0.3
141.01695	37.2
141.06769	0.5
188.75858	0.4
189.06483	0.2
217.35789	0.3
279.23224	2.1
347.48108	0.3
361.23798	0.5
393.21671	0.5
537.29529	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53769	0.3
53.25975	0.3
59.01386	100.0
59.04203	0.3
59.08235	0.3
60.01749	0.4
62.63621	0.4
69.03442	0.5
74.95092	0.3
78.95899	0.7
79.56218	0.3
96.99309	2.0
97.02939	0.5
115.77106	0.3
141.01692	38.2
141.06664	1.5
170.84563	0.4
279.23486	2.9
309.09625	0.5
349.74084	0.4
361.23724	0.6
594.93866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56056	1.1
55.01892	1.4
58.00606	1.1
59.01384	57.2
67.90612	1.3
69.03455	3.1
71.01380	42.7
72.00903	26.6
72.99300	2.8
73.02940	7.9
75.22271	1.3
75.54557	1.4
76.57558	1.4
81.05487	1.6
83.01391	1.9
85.02946	10.8
87.00852	2.4
89.02438	49.4
95.01360	2.9
97.02943	3.0
99.00906	2.2
101.02435	32.2
107.15176	1.2
111.00856	1.7
113.01774	1.9
113.02457	19.4
119.03488	18.8
125.02417	19.8
125.68185	1.3
131.03456	3.0
139.00377	5.1
143.03510	2.6
146.06158	1.5
147.04518	73.4
153.01926	2.1
154.02673	3.0
161.04581	5.6
162.88069	1.5
164.07173	100.0
169.05067	2.0
179.05644	15.5
221.06654	11.6
263.07721	2.5
273.39331	1.3
323.09866	53.3
346.80850	1.5
493.15714	23.6
550.45013	1.7
627.82648	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	658.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46848	0.4
59.01383	100.0
61.98835	0.6
63.75784	0.4
67.42866	0.4
78.95905	5.2
82.47591	0.4
85.16601	0.4
94.48266	0.5
118.84081	0.5
141.01695	43.2
167.62428	0.6
171.00641	1.1
180.96503	0.5
277.21808	3.4
476.27808	1.1
502.29453	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	658.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.38405	0.3
61.98835	0.8
78.95908	0.7
83.43519	0.4
90.18153	0.3
95.35715	0.4
99.81418	0.3
101.32999	0.4
106.92551	0.4
136.80803	0.4
141.01695	45.3
198.03004	0.4
277.21744	3.4
287.95944	0.4
299.52609	0.5
465.18350	0.5
502.29874	2.2
538.22998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18699	0.2
52.49660	0.3
59.01390	100.0
61.57541	0.2
116.92901	0.4
120.20672	0.4
122.15552	0.3
141.01694	38.3
164.62982	0.4
196.67834	0.3
212.67764	0.4
275.06219	0.4
281.22250	0.3
281.24646	2.3
333.80487	0.4
363.25137	0.7
462.78748	0.3
564.16437	0.3
572.71606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09094	1.1
59.01112	1.9
59.01387	50.3
68.46704	1.1
69.03458	1.5
71.01383	49.6
73.02943	11.1
81.03452	1.6
83.01385	3.2
85.02959	11.2
87.00852	7.7
89.02441	53.7
91.42310	1.2
95.01389	1.9
97.02934	5.4
99.00899	1.6
101.02433	53.9
113.02443	20.2
119.03493	22.6
125.02436	31.9
131.03477	5.9
143.03508	8.7
149.96202	1.5
161.04520	14.5
173.54070	1.5
179.05618	50.1
221.06674	17.4
226.92419	1.6
245.06688	1.4
323.09793	2.1
341.10809	1.6
370.30579	1.7
383.11978	8.2
425.13275	1.9
453.14771	1.5
485.15268	17.8
625.19965	100.0
626.19910	3.0
661.17419	16.9
685.35938	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	661.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14467	1.0
54.50317	0.9
58.00590	1.1
58.64343	1.0
59.01383	57.4
69.03446	2.6
70.47433	1.0
71.01377	53.8
73.02950	11.7
76.57652	1.3
81.03474	1.4
83.01373	2.8
85.02943	9.9
87.00858	5.6
89.02438	67.5
95.01383	2.3
97.00429	11.5
97.02907	4.5
99.00874	2.8
101.02430	54.9
112.40314	1.1
113.02441	25.3
114.03086	9.1
116.07412	1.3
119.03492	26.1
123.00857	1.8
124.01629	2.1
125.02435	34.0
131.03519	9.9
143.03488	6.4
154.68796	1.2
155.03474	1.1
157.02565	1.7
157.03682	11.6
158.04636	1.2
161.04543	15.5
179.05612	50.9
179.07230	1.7
191.96683	1.4
219.74295	1.3
221.06677	18.8
268.78070	1.3
323.09769	5.3
341.10815	6.6
377.08652	4.7
383.11838	9.0
407.12045	1.5
425.13052	2.5
485.15045	19.8
503.16290	13.3
517.68890	1.3
625.19891	100.0
631.89105	1.2
661.17419	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	661.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14467	1.0
54.50317	0.9
58.00590	1.1
58.64343	1.0
59.01383	57.4
69.03446	2.6
70.47433	1.0
71.01377	53.8
73.02950	11.7
76.57652	1.3
81.03474	1.4
83.01373	2.8
85.02943	9.9
87.00858	5.6
89.02438	67.5
95.01383	2.3
97.00429	11.5
97.02907	4.5
99.00874	2.8
101.02430	54.9
112.40314	1.1
113.02441	25.3
114.03086	9.1
116.07412	1.3
119.03492	26.1
123.00857	1.8
124.01629	2.1
125.02435	34.0
131.03519	9.9
143.03488	6.4
154.68796	1.2
155.03474	1.1
157.02565	1.7
157.03682	11.6
158.04636	1.2
161.04543	15.5
179.05612	50.9
179.07230	1.7
191.96683	1.4
219.74295	1.3
221.06677	18.8
268.78070	1.3
323.09769	5.3
341.10815	6.6
377.08652	4.7
383.11838	9.0
407.12045	1.5
425.13052	2.5
485.15045	19.8
503.16290	13.3
517.68890	1.3
625.19891	100.0
631.89105	1.2
661.17419	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	661.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16616	1.0
53.10862	0.9
57.03446	1.4
59.01384	72.5
59.97887	1.1
61.98820	1.2
69.03386	1.2
71.00983	1.8
71.01378	50.7
72.99323	1.4
73.02919	2.2
78.95899	11.0
80.96503	3.1
83.01397	4.4
85.02937	7.8
85.19509	1.4
87.00870	10.0
89.02438	53.5
92.11594	1.3
95.01342	1.7
101.02428	22.3
113.02430	21.3
116.92805	5.5
119.03491	19.8
122.97672	1.2
143.03484	2.8
146.98370	1.1
152.99611	3.1
161.04521	9.0
179.05614	16.6
191.69254	1.4
210.19243	1.5
277.21716	100.0
277.24774	3.4
278.22037	2.8
279.23178	2.2
291.23257	5.7
319.22971	2.1
323.09805	20.1
341.10846	47.4
411.15097	1.4
579.29010	3.9
601.32367	17.4
631.67230	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	661.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31875	1.6
52.89967	1.4
57.03455	1.9
59.01112	3.5
59.01385	73.4
61.98813	1.6
64.60290	1.8
66.70210	1.7
71.01379	57.5
73.02920	2.5
76.48198	1.9
78.95875	13.6
80.96509	3.8
83.01381	8.9
85.02946	10.2
87.00856	9.9
89.02436	62.0
94.98123	2.4
101.02435	25.0
108.81307	2.0
113.02444	22.7
116.92809	4.1
119.03512	16.5
143.03552	3.7
146.85060	2.1
149.04541	2.7
152.99554	3.5
161.04517	4.5
169.66107	1.9
179.05618	14.7
187.05258	2.0
188.85730	2.2
277.21738	58.1
323.09854	16.2
341.10910	100.0
579.28424	4.8
601.32990	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.4
65.46025	0.3
71.01371	0.4
77.03957	1.5
91.05510	1.9
93.03410	0.5
95.04997	3.7
105.03442	13.2
121.02938	40.5
123.00874	0.5
123.04516	2.2
124.00806	0.9
124.01663	1.8
132.02216	0.6
133.02937	100.0
134.03664	2.0
135.04515	4.5
137.02435	1.7
139.04002	0.8
150.03203	7.4
151.03964	0.5
165.05540	1.5
165.09183	0.4
177.01884	5.2
178.02684	0.7
179.03484	0.6
209.04556	53.6
209.08179	4.1
216.41315	0.4
309.64087	0.4
418.75681	0.4
451.32773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82335	1.8
57.03440	2.8
59.01384	7.9
61.98831	2.1
68.09572	1.5
78.95892	3.5
84.43699	1.7
89.02426	2.0
97.06569	12.1
101.02383	2.2
123.08160	2.8
125.09708	75.1
129.16554	1.6
159.14415	1.8
171.00670	1.9
187.09760	25.0
207.52612	1.7
227.20320	1.8
255.23305	58.6
324.05695	1.7
391.03519	2.0
405.17517	2.1
661.41760	100.0
662.41443	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	661.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93731	14.6
54.84723	20.8
73.27185	19.1
84.72975	21.8
85.53316	20.7
92.11719	55.9
92.12360	100.0
120.78966	19.2
145.52766	20.3
156.07564	20.9
426.83356	23.6
455.65402	23.3
474.40421	23.4
523.30743	21.9
576.51434	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	663.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	1.5
55.37193	1.7
57.03458	25.6
58.00581	1.9
59.01382	62.8
61.43144	1.3
61.98809	5.4
67.52066	1.2
71.01379	48.1
71.37189	1.3
73.02934	10.2
75.00858	8.4
83.01384	5.8
84.87473	1.3
85.02932	28.9
87.00854	2.4
87.04480	2.2
89.02436	43.3
97.02950	2.1
99.00874	2.2
99.04502	5.5
101.02432	51.5
113.02443	26.1
116.92827	2.1
119.03493	20.8
124.01659	11.9
125.02468	16.7
131.03525	1.4
133.10272	1.7
141.16428	1.6
143.03505	9.6
160.01665	1.7
161.04546	19.9
169.21005	1.4
175.03912	1.9
177.09224	1.5
179.05615	6.4
193.08745	2.3
195.10263	47.6
206.15703	1.5
224.72766	1.5
303.12509	2.9
308.99146	1.5
339.14502	1.6
357.15607	8.9
447.46881	1.5
501.19830	13.4
504.11179	1.5
519.20868	100.0
520.21405	2.1
561.21936	16.0
663.25281	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
59.01383	67.6
71.01385	16.0
73.02927	6.1
76.39517	1.2
81.03449	1.4
83.01376	1.7
85.02948	10.1
89.02454	2.0
92.12459	1.6
95.01382	1.9
99.00854	1.4
99.04506	46.1
101.02429	31.2
111.00910	1.6
113.02431	7.9
125.02415	7.0
161.04578	4.8
254.42134	1.3
270.26126	1.2
294.22775	1.2
486.45972	1.4
501.30667	19.9
519.31696	39.6
561.32727	8.0
663.24835	2.6
663.35986	69.4
664.36432	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00517	0.6
53.20867	0.7
54.82939	0.8
55.01880	0.8
57.03452	1.4
58.00584	1.6
59.01384	41.0
61.98820	0.8
69.03478	1.0
71.01378	37.1
72.99286	1.5
73.02943	10.4
75.00835	1.2
78.95886	5.3
83.01379	8.6
85.02946	11.1
87.00869	42.5
87.29261	0.7
89.02439	28.5
95.01370	3.1
99.00889	1.3
101.02432	25.7
106.39142	0.8
113.02449	26.1
116.92840	1.7
119.03461	9.2
125.02399	0.9
129.01982	1.3
131.03497	1.2
141.01958	1.7
143.03481	5.2
152.99619	6.6
161.04578	7.2
179.05627	7.5
255.23305	19.7
263.23904	1.4
275.23862	2.0
279.23297	100.0
280.23642	3.8
293.24896	27.7
295.22842	1.0
303.23425	1.5
321.24326	11.6
323.09860	26.0
341.10904	51.3
351.25406	0.9
483.27335	14.9
540.29810	0.9
603.33844	16.9
628.72540	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35949	0.4
51.13944	0.4
55.01874	0.9
57.03437	1.0
58.00580	2.3
59.01381	52.9
69.03439	0.6
71.01375	36.4
72.99296	0.9
73.02928	0.9
76.22791	0.4
77.07429	0.4
78.95874	3.1
83.01380	3.6
85.02940	7.9
87.00865	6.8
87.79032	0.5
89.02431	45.0
92.11787	0.9
95.01360	1.9
100.19522	0.5
101.02429	18.2
113.02436	17.1
116.92853	1.0
119.03481	14.3
129.01941	0.7
131.03482	1.2
143.03493	3.1
149.04568	0.6
152.99524	3.3
161.04541	5.8
161.10971	0.5
179.05602	11.5
190.95470	0.4
200.83995	0.5
235.17139	0.5
255.23317	9.5
275.19983	0.6
279.23288	100.0
280.23477	3.5
293.21252	4.3
293.24878	4.1
303.23318	0.6
321.24286	3.1
323.09848	16.5
341.10867	35.6
368.78482	0.5
472.60541	0.6
483.27423	6.4
568.18951	0.5
603.33893	17.0
604.33984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
57.03453	97.5
59.01383	59.0
60.03122	0.8
61.26007	0.8
66.51542	0.9
67.21856	0.8
69.03444	1.4
71.01374	22.4
73.02950	11.4
81.03448	1.6
83.01372	5.3
83.05006	1.4
85.02949	13.5
87.00843	0.9
87.04493	1.3
89.02431	4.0
95.01391	1.1
97.02946	1.3
98.83228	0.9
99.00871	2.4
99.04501	32.7
99.05138	1.3
101.02433	34.4
102.02601	1.1
113.02450	12.2
119.03497	0.9
120.85265	0.9
125.02429	2.4
129.68486	1.1
135.08253	1.0
141.24292	0.9
161.04559	5.0
213.18709	2.1
279.23318	2.0
297.24533	1.3
357.26578	2.3
459.29587	1.3
501.30701	19.0
519.31787	47.6
520.31873	1.2
561.33020	5.0
607.94867	1.1
663.36096	100.0
664.35858	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	664.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
78.95899	0.8
83.31062	0.4
96.29385	0.4
124.46782	0.4
141.01689	44.5
211.59706	0.5
213.01369	0.4
260.60132	0.5
283.26379	4.4
285.72559	0.4
347.94473	0.5
508.34369	2.4
545.72247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.0
59.01386	100.0
62.40208	0.7
63.93602	0.8
66.15508	0.7
78.95901	16.9
89.10949	0.7
97.06572	12.0
115.15251	1.0
122.98552	5.6
123.08159	7.5
125.09715	89.1
141.01700	41.7
152.99574	4.8
156.49036	0.9
168.04376	4.2
169.08728	3.3
187.09772	4.9
201.11336	40.3
224.06879	3.1
250.76469	0.9
255.23306	75.2
283.26437	5.5
480.30807	3.4
508.34192	1.2
605.34814	7.2
664.42114	22.7
682.57574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28675	0.6
59.01377	4.1
61.98834	22.1
78.95897	100.0
84.59799	1.1
89.02417	1.4
91.10654	0.8
110.84153	0.9
116.92831	5.2
136.93213	10.7
150.26875	0.7
151.91936	1.0
152.92709	6.8
152.99527	1.0
178.94263	24.3
190.94252	1.6
194.93773	39.4
196.95338	4.1
206.93802	0.9
208.95384	3.9
212.94878	5.8
220.95358	1.5
226.96324	5.1
250.96341	10.6
268.97458	10.8
279.23117	4.3
282.99057	15.1
325.00104	6.4
326.97968	1.1
343.01111	52.7
396.26764	0.9
399.16275	12.1
415.15839	5.8
471.18182	3.3
545.22168	11.4
605.23999	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	665.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82618	1.8
58.94534	1.7
59.01383	44.4
61.98814	2.5
71.01375	34.0
72.99296	2.4
73.02930	4.7
76.57410	1.9
78.95893	2.6
83.01379	8.4
85.02946	13.2
85.04166	1.7
87.00865	35.3
87.05723	1.9
87.19496	2.2
89.02441	32.1
101.02442	21.5
113.02441	30.2
116.92842	3.3
119.03490	12.9
120.16026	1.8
136.96786	1.8
141.01865	3.3
143.03403	2.5
143.31223	1.8
161.04535	4.2
164.67000	2.1
179.05620	12.9
260.81732	2.3
265.25476	2.8
276.57886	2.1
278.88959	2.2
281.24841	100.0
282.25281	3.6
295.26407	43.0
323.09839	26.2
323.25977	10.4
341.10858	55.3
485.99985	2.4
589.58618	2.1
605.35474	23.8
672.01465	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	665.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01138	2.9
59.01388	45.5
71.01379	35.4
78.95889	4.8
85.02943	5.8
87.00874	4.1
89.02438	42.0
101.02429	19.2
113.02440	15.5
119.03497	13.5
124.17995	2.9
124.40815	3.2
150.98019	3.0
179.05609	13.4
197.15373	3.5
281.24884	100.0
323.09961	16.3
328.21579	3.5
341.10901	23.0
495.15881	3.7
550.56525	3.5
605.35229	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	666.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.2
59.01112	0.2
59.01384	6.8
71.01378	7.4
72.99307	3.0
73.02944	1.8
75.75479	0.2
78.03481	0.3
83.01389	0.3
85.02952	1.7
85.93289	0.2
86.00062	0.2
86.87341	0.2
87.00866	1.2
89.02441	6.8
95.01374	0.3
97.02938	0.3
99.00867	0.7
101.02435	6.2
108.04542	3.9
113.02428	3.5
118.02972	2.3
119.03481	3.3
124.04004	0.4
125.02441	1.9
131.03477	1.6
134.02475	100.0
135.02817	1.4
143.03487	0.7
161.04546	2.5
162.01965	16.5
176.33282	0.2
179.05632	4.0
180.03027	0.3
221.06635	2.6
323.09940	0.3
341.11026	1.2
383.11960	6.2
396.09274	0.2
426.10419	0.2
528.13330	0.8
599.90887	0.2
666.19067	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	667.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.8
58.45821	1.4
59.01376	12.2
60.22130	1.4
64.48148	1.9
71.01361	20.5
73.02941	9.2
83.01347	2.0
85.02951	4.2
89.02425	7.6
90.57810	1.8
99.00865	18.5
101.02431	9.7
109.02957	3.2
113.02449	3.3
116.92838	40.9
121.02986	7.3
121.52576	1.7
124.01644	1.8
133.01421	2.3
136.05350	2.8
143.05080	1.9
147.04549	10.3
148.05321	12.7
150.03224	12.5
158.03716	3.1
159.04518	15.9
160.05295	56.2
161.04706	3.0
161.06020	19.7
163.04004	14.5
164.04803	9.3
173.06122	8.3
175.07628	51.6
177.05571	10.9
178.06273	13.4
193.08679	3.7
219.83908	1.7
230.96848	2.0
284.10446	2.1
299.12781	16.4
311.12848	8.5
315.12460	3.3
329.13986	100.0
330.14352	1.9
430.75189	1.8
534.93860	2.2
545.08600	2.2
598.52277	2.4
623.23633	58.1
667.22369	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05515	1.7
52.98956	1.4
53.78862	1.5
59.01355	1.7
60.16907	1.5
61.98834	3.4
70.64063	1.5
78.10870	1.7
78.41246	2.1
90.07271	1.9
90.36382	1.8
92.66219	2.0
96.61359	1.5
96.90889	1.7
108.97542	1.9
145.74104	2.6
167.71089	1.9
255.23297	2.6
288.40637	2.1
378.61539	2.1
378.67648	2.0
393.46356	2.1
521.15570	2.4
552.84821	2.3
585.27759	2.4
598.52356	2.3
671.26837	100.0
672.27374	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	673.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	62.8
63.90924	37.5
69.27799	38.2
75.29237	36.7
77.99672	38.9
108.59010	38.3
116.92837	57.0
121.02972	100.0
133.20282	40.2
271.53281	42.3
573.39081	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.1
59.01386	10.2
61.98834	1.4
71.01362	8.6
72.99303	2.7
75.00865	12.9
83.01398	1.5
85.02939	11.7
87.00842	5.4
97.06619	9.6
99.00856	6.8
113.02428	8.1
117.01918	1.5
123.08125	2.6
125.09706	61.1
154.98193	1.3
175.02484	2.2
187.09758	19.3
192.18230	1.4
255.23297	45.6
277.21579	11.7
352.04144	1.3
359.22058	1.7
414.51163	1.4
577.42419	3.1
586.21942	1.4
675.39667	100.0
676.39960	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	677.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46209	0.4
52.71795	0.4
54.29860	0.4
55.01886	1.9
57.03460	1.6
58.00600	1.8
59.01392	48.2
69.03446	2.6
71.01389	31.2
72.99296	2.1
73.02953	5.4
81.03440	1.1
83.01391	4.5
83.59877	0.5
85.02507	0.7
85.02946	7.0
87.00872	6.0
89.02446	27.7
92.12397	1.0
95.01341	2.1
97.02947	5.7
99.00861	2.2
101.02435	20.1
111.00826	0.7
111.04507	0.8
113.02446	10.9
119.03475	6.2
125.02449	9.8
127.03992	0.6
130.41887	0.4
131.03462	0.7
139.03989	0.6
141.01892	0.6
141.81656	0.5
143.03482	2.9
161.04584	4.9
179.05618	3.5
203.05734	0.6
221.06702	2.1
229.69350	0.6
235.08263	7.7
253.09183	0.9
277.09137	0.5
279.23294	100.0
280.23590	3.9
287.07761	0.9
305.08719	2.2
323.09915	0.7
325.29315	0.6
345.48077	0.6
395.10025	0.6
397.13538	54.5
398.13522	1.0
415.14615	20.3
426.75305	0.5
539.85974	0.5
586.05426	0.6
593.46759	0.6
646.68616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
57.03448	1.0
58.00593	1.6
59.01386	43.1
61.44511	0.4
64.34036	0.4
69.03441	2.0
71.01383	27.8
72.99294	2.5
73.02643	0.4
73.02943	5.4
74.93929	0.4
75.00855	0.7
78.48597	0.4
81.03443	0.6
82.20018	0.4
83.01392	3.6
85.02950	7.2
87.00870	5.2
89.02437	27.0
95.01355	1.0
97.02944	5.6
99.00874	2.6
101.02427	21.7
109.02927	0.5
111.04506	0.8
113.02434	10.5
119.03482	6.3
125.02424	7.7
131.03452	0.8
133.05064	0.7
135.07094	0.4
139.04008	0.7
140.73474	0.4
141.01999	0.5
143.03508	3.2
145.86284	0.4
149.04538	0.6
159.99199	0.4
161.04498	3.6
162.41472	0.4
167.03407	0.5
174.09998	0.4
179.05644	3.9
179.07103	0.6
193.92143	0.4
213.52200	0.5
221.06631	1.9
235.08249	6.1
253.09311	1.0
261.22098	0.4
263.07874	0.5
279.23291	100.0
280.23535	4.5
287.07751	1.5
290.32043	0.4
305.08762	2.8
323.09848	0.5
367.95990	0.4
397.13519	52.3
398.13995	2.0
415.14578	19.3
445.72202	0.5
492.60391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75914	0.8
56.56866	0.8
59.01390	52.8
65.43412	1.2
79.13003	0.9
79.55193	0.9
81.03460	9.4
83.05032	27.5
107.14217	1.0
123.84518	1.0
145.32452	1.0
159.41013	1.0
163.68405	1.0
225.16090	3.9
296.69998	1.0
391.29581	9.6
530.82831	1.3
533.40729	1.8
599.45618	1.6
617.46478	100.0
618.47418	1.4
664.26410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84066	1.3
67.83746	1.3
81.03439	9.1
83.05022	32.0
88.75710	1.3
98.17693	1.3
103.49905	1.3
107.37337	1.7
110.44954	1.4
145.85159	1.4
158.07147	1.3
184.90149	1.5
224.17683	2.5
225.16084	18.5
333.23071	2.5
433.31738	2.5
450.34607	2.7
451.32980	8.2
659.48016	2.5
677.49744	100.0
678.49414	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	681.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99692	0.3
59.01381	0.7
71.01379	0.5
98.44802	0.3
99.92570	7.1
114.93456	0.3
116.92848	100.0
117.92857	1.3
220.23557	0.3
297.07739	1.5
325.07153	0.3
353.06876	2.9
383.07950	2.4
443.10117	0.6
503.16791	0.3
563.14154	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	681.077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31469	0.1
53.39166	0.1
59.01380	0.2
66.54347	0.1
69.50758	0.1
85.71045	0.2
85.93886	0.1
89.02443	0.2
98.67625	0.2
99.01527	0.2
99.92578	7.5
108.02185	0.2
114.93403	0.4
116.92849	100.0
117.92836	1.7
125.63799	0.1
153.01935	0.2
161.02434	0.2
172.89029	0.2
189.09993	0.2
201.80115	0.2
253.47781	0.2
297.07620	1.4
323.05817	0.2
325.07355	0.2
353.06680	3.0
365.06879	0.3
383.07806	1.8
413.08969	0.3
425.08432	0.2
443.10104	0.2
563.14075	7.0
563.22394	0.3
564.14447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52501	1.6
51.72884	1.4
57.03461	75.6
59.01117	2.4
59.01390	56.3
61.04004	1.5
62.46025	1.6
71.01381	27.4
72.29878	1.6
73.02924	11.8
77.66507	1.7
83.01389	2.8
85.02929	12.2
89.02418	12.6
92.11729	2.3
99.00883	2.4
99.04524	23.2
101.02417	28.7
105.59212	1.7
108.70865	1.9
113.02461	12.5
116.92849	3.8
125.02482	2.8
144.96979	1.7
145.67937	1.7
159.02969	2.4
161.04570	6.4
161.48048	1.6
201.15085	3.0
212.52159	1.9
349.56345	1.8
403.20337	2.2
519.31750	23.4
537.32831	28.4
579.33746	2.9
681.37006	100.0
682.37915	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	683.386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26071	1.7
57.03193	2.9
57.03453	60.7
59.01107	3.1
59.01383	53.2
63.28685	1.7
71.01380	30.7
73.02943	19.6
73.05522	1.7
73.95481	1.5
81.35732	1.6
83.01375	2.7
84.49693	1.6
85.02938	25.2
89.02428	10.3
95.01361	2.8
99.00861	3.5
99.04506	37.1
101.02439	39.4
113.02401	17.8
119.03496	2.2
125.02395	3.5
130.82668	1.6
137.09679	2.7
161.04530	24.4
271.22797	3.6
315.25531	2.3
327.64252	1.8
359.27982	1.8
377.29169	8.3
521.33350	63.2
522.34033	2.6
539.34424	79.3
540.34723	3.1
630.47528	2.5
636.82770	1.8
683.38617	100.0
684.39056	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	683.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.8
57.03189	4.0
57.03449	79.3
59.01106	3.0
59.01381	56.2
67.74934	2.4
71.01379	26.4
71.50146	2.2
73.02931	12.6
83.01373	10.5
85.02940	17.8
85.20094	2.5
89.02409	15.8
92.12418	5.5
92.65475	2.7
99.00878	3.1
99.04501	43.1
101.02438	40.1
111.00863	3.4
113.02412	14.9
119.03514	4.2
125.02415	5.6
135.41025	2.7
136.82208	2.7
161.04547	31.2
224.90495	2.8
243.68234	2.7
313.23746	3.1
320.39883	3.0
377.28845	11.4
521.33368	60.3
531.31067	3.0
539.34406	73.1
683.38568	100.0
684.39136	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	685.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.5
57.03452	10.5
59.01388	7.8
66.27747	1.5
71.01393	15.2
73.02949	3.7
78.91802	1.7
81.03485	2.0
85.02950	6.8
95.01397	2.8
99.04527	3.2
101.02442	11.4
106.34354	2.2
107.36382	1.8
108.02163	10.3
109.02964	3.8
111.00924	1.7
112.54667	1.9
113.02448	4.3
119.37074	1.8
121.02974	4.4
123.00860	2.6
123.04534	22.5
124.01763	1.7
125.02379	4.0
147.04520	7.1
150.03227	7.9
151.00378	10.9
151.04103	2.1
152.01120	12.9
153.01982	3.9
158.03764	2.5
159.04422	15.5
160.05283	38.6
161.04677	3.5
161.06088	18.6
163.04042	3.4
164.04785	9.1
167.03494	58.9
173.06071	7.9
175.07645	28.7
177.05611	9.4
178.06363	7.4
193.08824	2.5
296.05185	6.5
311.07782	100.0
329.14023	29.1
396.30637	1.9
522.33655	3.7
540.34723	3.2
541.34851	2.1
641.22400	22.9
684.38702	8.1
685.21027	9.5
685.39398	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08405	0.9
51.28830	0.8
59.01388	79.2
69.01391	0.9
74.25024	1.2
78.95898	5.9
81.37659	1.2
83.14125	1.1
88.26044	0.8
99.08174	1.0
114.39587	1.1
119.02276	1.0
129.09270	1.3
157.27356	1.0
167.01128	1.3
183.13916	5.8
221.43091	1.1
221.45197	1.1
255.23315	100.0
256.23660	1.3
258.09375	1.2
279.20389	2.1
279.23285	37.9
295.22891	4.1
313.23889	14.1
535.60242	1.2
551.46533	1.7
685.48035	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	687.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82098	0.4
54.47659	0.4
79.95722	0.6
84.79779	0.6
93.75204	0.4
96.95995	100.0
116.59743	0.5
132.08720	0.4
205.00079	0.5
298.99637	0.5
557.07739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65072	5.1
59.01371	36.8
70.01588	5.5
71.01372	9.7
78.95889	10.1
89.02424	6.9
92.11762	9.8
92.30804	5.9
93.14716	5.8
95.24533	7.0
95.36411	5.9
101.02405	13.2
116.92878	12.0
164.43178	7.5
178.38467	6.9
208.51540	6.4
221.30499	6.6
224.74136	7.6
255.23247	65.7
278.95651	7.4
281.66830	8.6
340.71045	6.9
397.13547	88.2
415.14453	16.0
415.87210	7.2
653.37305	25.9
689.35339	100.0
690.35657	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	689.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33390	2.8
59.01381	26.0
60.72564	2.8
71.01357	7.0
72.82792	3.4
84.95094	5.8
85.02961	2.9
86.16030	2.9
87.00858	2.9
89.02407	17.4
91.37798	3.0
92.12397	16.6
101.02422	7.3
125.02478	3.8
161.04517	4.1
163.51982	3.3
164.43559	3.4
229.08272	3.4
255.23320	72.7
397.08609	6.3
397.13425	86.5
415.14603	17.8
552.09955	3.4
653.37775	24.4
689.35339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03192	4.6
57.03454	87.0
59.01110	4.3
59.01388	100.0
64.23024	3.0
69.95765	2.9
72.70967	2.8
83.53709	3.1
85.02949	4.8
91.31982	3.1
96.96008	4.0
97.91281	3.3
99.04537	25.0
99.05046	3.5
101.02457	23.6
150.59106	3.6
162.78824	3.0
179.61906	3.5
183.89514	3.8
331.24869	7.2
333.73514	3.5
391.00275	3.9
449.04102	3.7
467.30045	5.7
485.31250	15.6
545.33240	6.2
689.37646	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82165	4.9
57.03452	99.9
59.01385	100.0
64.08518	4.6
65.81847	4.6
66.04368	4.0
69.10207	5.2
70.77030	4.4
72.76484	4.8
85.02950	6.6
89.90012	5.2
94.14225	5.1
99.04499	44.5
101.02423	24.2
117.93938	5.0
121.15296	5.0
125.18640	5.1
132.37723	5.0
213.52171	5.3
215.25601	5.7
241.96468	5.8
433.74268	5.6
647.66974	6.8
689.37836	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	691.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25584	1.3
55.01883	2.4
56.96451	1.3
57.41642	1.4
58.18183	1.5
59.01108	2.6
59.01385	57.9
60.72519	1.5
64.84628	1.8
71.01377	61.6
71.35408	1.5
72.99309	2.7
73.02944	15.0
83.01381	2.8
85.02933	14.7
87.00871	6.2
89.02439	78.2
95.01376	2.1
95.89001	1.8
97.02914	3.7
98.68407	1.7
99.00877	2.1
101.02434	61.7
111.00919	1.9
113.02443	33.4
119.03483	26.4
125.02433	43.8
131.03493	10.6
139.00348	3.1
142.44118	1.6
143.03473	7.1
146.23273	1.5
152.27060	1.8
161.04514	19.5
168.68266	1.8
179.05595	75.3
221.06691	25.3
281.08664	2.2
341.11075	3.2
383.11993	14.4
407.11667	2.0
425.12842	4.2
485.15332	28.5
625.80585	1.8
655.20984	100.0
656.22089	6.3
690.04614	1.7
691.18506	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	691.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82146	1.9
55.01866	2.0
57.03459	4.2
58.99939	1.8
59.01384	33.7
71.01380	30.4
73.02957	2.7
82.95425	20.0
83.01391	2.7
85.02972	10.4
89.02433	14.1
92.12474	2.7
99.00855	2.3
101.02443	22.1
108.02192	11.3
109.02932	2.3
113.02443	19.8
116.92844	4.0
119.03488	4.7
123.04530	10.1
125.02425	3.6
131.03564	3.2
143.03487	3.1
158.03795	4.1
159.04533	3.3
161.02432	2.5
173.06088	4.7
200.01115	33.2
203.03516	4.6
203.05582	4.6
205.05037	2.4
217.05045	10.8
228.00623	57.9
229.01419	74.3
236.04855	3.9
237.05663	26.7
238.06363	3.9
243.02998	91.9
245.06424	2.6
252.07896	10.5
263.03464	10.4
264.04346	10.1
265.04971	28.0
266.05798	16.0
267.06677	30.0
268.03915	2.7
269.08005	3.4
276.04453	2.5
279.06677	12.1
280.07431	27.6
281.08148	42.8
282.04785	2.1
282.08951	19.6
283.06113	15.2
289.05069	3.0
291.03064	3.8
292.03781	11.6
293.04553	13.9
295.09848	23.9
296.06769	2.7
297.07608	8.6
297.11404	3.0
306.05444	16.5
306.08737	2.6
307.06107	15.4
308.06851	20.2
317.04755	2.5
318.05347	3.8
323.09296	41.2
324.06470	4.8
325.06995	2.9
326.07956	20.5
334.04749	3.8
336.02664	3.5
339.08740	14.4
341.10388	46.8
349.07248	30.8
351.05167	15.1
352.05878	4.5
367.08215	100.0
411.10565	2.8
413.12274	3.8
467.13260	3.8
473.88806	2.3
567.13562	2.6
618.19690	2.8
647.19965	51.3
691.18683	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03454	5.2
57.26860	0.3
59.01388	27.9
59.01688	1.0
64.09514	0.4
66.91454	0.4
67.01878	0.7
68.99814	1.9
69.03457	1.0
71.01385	27.1
72.99309	5.0
73.02954	2.9
75.00877	19.3
81.03439	0.6
83.01375	0.8
84.99342	0.4
85.02959	32.1
87.00877	10.9
87.34965	0.5
89.01949	0.7
89.02448	12.7
90.27816	0.4
91.04005	0.5
91.05535	23.0
92.97092	0.3
93.03455	0.9
95.01390	6.5
96.96016	2.4
99.00878	12.4
99.08163	4.1
101.02448	2.9
102.48334	0.4
103.00352	2.8
111.00913	0.4
112.01666	0.6
113.02446	37.5
115.00368	2.3
117.01977	4.2
117.03440	6.3
118.81126	0.5
119.03494	1.8
127.07684	0.6
129.01926	2.7
131.03493	0.8
135.04518	11.1
135.05449	0.7
138.07410	0.5
139.00345	0.4
145.08716	12.2
149.04482	0.6
157.01476	0.5
175.02484	2.1
180.51578	0.4
205.07115	1.7
207.05063	2.8
223.08267	0.7
231.05164	2.0
249.06165	29.9
249.08777	1.0
250.06514	0.5
267.07227	73.9
268.07520	0.7
296.12360	0.5
307.14017	20.3
308.14468	0.5
385.11438	100.0
386.11786	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	695.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99795	0.1
56.08956	0.1
57.03188	0.2
57.03458	5.0
59.01395	0.5
60.19283	0.1
63.12831	0.1
67.01902	1.3
68.82040	0.1
70.59830	0.1
72.43922	0.1
72.99310	0.4
73.02959	0.3
81.53363	0.1
85.02962	24.3
86.03290	0.2
87.00883	38.4
88.01248	0.2
98.02464	0.1
101.02451	0.7
103.04019	0.2
111.00885	100.0
112.01246	1.4
112.04058	0.3
117.01920	0.8
129.01941	5.9
130.99846	1.4
135.87523	0.1
147.03049	0.3
154.99866	1.3
169.53148	0.1
172.01271	0.1
173.00906	5.4
173.02390	0.3
188.69556	0.2
191.01993	74.7
192.02271	0.8
221.71234	0.2
326.93866	0.2
432.19684	0.2
457.41391	0.2
630.31427	0.2
669.72125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61475	0.1
51.72666	0.1
57.23044	0.1
58.96432	0.1
59.01383	100.0
59.06204	0.1
60.00908	0.1
60.01717	0.4
62.42728	0.1
78.95895	5.5
79.37543	0.1
80.63827	0.1
92.11626	0.2
110.36635	0.1
116.92860	0.2
124.60099	0.1
149.00055	0.2
152.99605	0.1
198.00626	0.1
205.16002	0.6
279.23279	0.2
285.12662	0.1
288.13666	0.1
355.16507	0.1
379.32111	0.1
393.16757	0.1
427.19080	0.2
447.13550	0.4
651.16077	0.1
653.30237	0.2
695.31226	22.6
696.31726	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.5083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.1
61.40367	0.6
63.36391	0.8
65.30300	0.7
71.01386	1.8
73.02940	0.7
75.39522	0.6
77.92671	0.8
80.05035	0.8
81.03062	0.8
81.03460	13.2
81.24633	0.8
82.39780	0.7
83.05025	44.4
85.02942	1.0
96.95987	1.0
100.07685	8.1
101.02371	1.5
110.55323	0.8
111.00822	0.8
112.90232	0.9
116.92864	1.8
117.87744	0.7
122.02465	0.8
130.38608	0.8
131.22322	0.8
160.55815	0.7
199.18190	10.3
224.17705	2.8
225.16061	9.2
243.17142	27.0
269.14877	1.0
270.03012	0.8
272.85785	0.8
309.21890	1.2
341.29617	0.8
353.20819	5.7
451.32813	1.1
469.34006	11.6
579.37610	1.2
647.12048	0.8
695.50812	100.0
696.51520	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	697.178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89920	0.1
51.31785	0.1
53.24019	0.1
53.78865	0.1
59.01386	100.0
60.01729	0.3
68.00350	0.1
69.32651	0.1
88.48581	0.2
92.11749	0.2
93.23685	0.2
116.92839	0.2
117.54823	0.2
121.02930	2.5
121.03612	0.1
131.49005	0.2
176.54677	0.2
191.03595	0.3
209.04689	1.0
311.22482	0.2
385.14859	0.2
400.69763	0.2
593.13635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17818	0.1
59.01385	6.4
60.01722	0.5
61.01821	0.6
61.98833	100.0
63.12455	0.1
72.43289	0.1
74.86111	0.1
75.06660	0.1
78.77997	0.1
78.95916	0.5
94.62406	0.1
97.24458	0.1
114.23306	0.1
117.06584	0.1
121.79897	0.1
160.01302	0.1
340.40045	0.1
373.74152	0.1
697.31555	0.6
698.32208	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35685	0.1
53.79570	0.1
57.03452	0.3
59.01381	0.3
59.78622	0.1
61.98833	0.9
64.10991	0.1
71.01389	0.3
73.02933	0.2
81.53796	0.1
82.50434	0.1
89.02447	0.1
99.04526	0.2
99.92572	8.9
100.92596	0.2
114.93407	0.3
115.77591	0.1
116.92847	100.0
117.01915	0.3
117.92850	2.9
127.28339	0.1
149.33522	0.1
230.14479	0.1
291.68011	0.1
515.97192	0.1
699.38330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.3
57.03454	57.7
59.01390	55.9
68.10244	2.1
71.01375	35.6
73.02934	19.1
83.01368	3.5
85.02942	19.4
89.02435	17.5
99.04527	30.3
99.56239	2.4
101.02441	41.1
111.08188	2.7
113.02440	20.2
116.92893	2.1
119.03473	4.6
125.02451	3.7
126.90130	1.9
137.09680	3.8
158.54192	2.2
159.02927	2.7
161.04541	34.6
166.00211	2.1
181.48785	2.1
201.14990	14.4
264.29758	2.8
320.34610	2.9
375.27744	3.2
381.56253	2.6
386.79199	2.3
393.28528	9.0
537.32758	56.7
555.25342	3.7
555.33960	89.3
699.38489	100.0
700.38965	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	700.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03556	0.1
57.03397	0.1
59.01385	2.9
60.01719	0.2
61.01796	0.2
61.98832	100.0
69.62640	0.1
70.00988	0.1
74.09600	0.1
74.58491	0.1
87.04520	0.9
92.12402	0.3
100.04040	0.1
102.39674	0.1
125.30584	0.1
174.54680	0.1
223.17044	1.7
224.17322	0.2
293.21371	0.2
311.22308	3.2
312.22784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72689	0.3
53.30582	0.3
53.83340	0.3
57.03452	3.4
59.01389	3.9
61.98838	100.0
64.34622	0.4
68.62102	0.3
71.01389	2.8
73.02952	0.6
84.81017	0.3
85.02950	1.0
89.02444	0.7
91.99120	0.4
99.04541	2.1
101.02444	3.2
113.02457	0.7
119.03561	0.6
131.22258	0.4
161.04572	2.5
167.08609	0.4
168.53815	0.4
172.79610	0.4
243.03023	1.6
271.02545	4.1
285.04193	0.7
299.02042	10.9
299.05307	0.7
300.02588	0.6
301.36133	0.4
313.03665	1.8
314.04367	8.5
315.05020	0.4
329.06720	32.5
330.06891	0.5
371.74976	0.4
537.33234	2.8
538.33002	0.7
555.33844	2.8
556.34375	1.4
609.81281	0.5
637.17822	7.0
696.28748	0.5
699.37897	3.1
700.38721	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	701.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87082	0.8
55.97385	0.8
57.03433	1.0
58.00595	1.0
59.01387	63.1
67.87778	1.0
71.01382	61.1
73.02939	6.5
75.00858	1.1
83.01375	2.1
85.02955	9.8
87.00877	6.9
89.02439	89.0
95.01380	5.0
95.23069	1.3
97.02926	3.8
101.01776	1.8
101.02433	39.4
103.81738	0.9
113.01707	1.6
113.02450	28.6
119.03474	13.3
125.02425	4.9
131.03500	2.5
141.01978	2.0
143.03528	9.8
149.04585	1.7
161.04504	10.4
179.05624	36.5
221.06668	37.2
260.99619	1.0
323.09879	2.5
341.10913	1.4
356.09897	1.1
383.11777	3.9
485.15366	5.2
665.21582	100.0
666.21484	4.5
701.19269	54.4
701.31598	1.9
702.19312	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	701.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47017	2.9
50.53765	2.9
59.01391	64.8
60.99855	3.3
66.37004	3.1
71.01389	66.0
75.00926	3.3
78.95909	6.6
81.21129	3.3
85.02920	5.0
87.00895	7.0
89.02446	96.3
92.12231	3.7
96.96024	3.8
101.02442	32.7
111.00857	7.7
113.02438	35.9
115.59290	3.7
119.03529	6.3
129.01912	3.6
130.08723	6.1
135.03113	6.5
148.21863	3.5
161.04581	8.0
179.05605	34.7
196.89496	8.6
221.06660	23.9
237.20303	3.8
341.10913	22.0
354.50085	4.2
368.49713	3.9
374.21753	4.0
444.91336	3.9
665.21552	100.0
701.19214	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76740	0.9
55.01874	0.7
58.00584	2.0
59.01382	65.0
60.80520	0.7
62.45259	0.8
71.01373	60.1
71.95892	0.8
72.99294	1.4
73.02939	5.3
73.57001	0.9
75.00872	1.1
80.50529	0.8
82.38866	0.8
83.01391	1.9
85.02939	11.7
87.00855	6.3
89.02431	86.0
95.01382	2.3
97.02951	2.1
101.02432	35.2
107.43420	0.8
110.47849	0.9
111.00871	1.4
113.01697	1.7
113.02436	29.7
115.03995	0.9
115.59674	0.9
119.03473	9.4
125.02428	4.8
129.01923	1.1
131.03456	4.6
143.03485	7.6
149.04549	2.2
161.04579	10.0
179.05609	35.9
221.06657	36.3
221.72156	1.0
233.06526	1.1
281.08771	1.2
323.09949	1.4
341.10815	2.0
377.08649	1.9
383.12042	1.7
485.15137	3.9
665.21539	100.0
666.21729	3.7
701.19214	51.3
702.19421	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93977	0.1
76.57703	0.2
78.95903	0.3
110.98510	0.2
147.08165	3.2
163.11290	100.0
164.11617	1.4
180.53131	0.2
210.94064	0.2
212.53943	0.2
255.23331	1.1
295.22864	1.3
323.20227	5.7
339.23315	57.5
340.23743	1.4
345.18396	0.7
361.21533	36.2
362.21790	1.2
385.61136	0.2
701.46051	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95097	14.8
59.85303	17.0
61.98837	80.0
78.95897	73.8
82.92817	15.8
83.95872	15.2
90.27581	14.6
99.92624	27.2
109.17074	18.3
116.92847	35.7
140.90518	21.2
152.99622	35.5
183.90630	19.0
216.53644	17.0
255.23364	100.0
270.08310	20.7
701.44373	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17709	1.1
55.09199	1.3
57.03457	100.0
57.24344	1.3
59.01388	91.9
59.07632	1.2
71.01377	11.3
73.02943	2.6
83.01372	2.2
85.02933	8.4
96.96012	21.9
98.95616	2.1
99.04517	27.6
101.02436	29.1
113.02435	8.8
125.02448	6.1
140.62849	1.6
175.42787	1.5
216.48402	1.7
217.14430	1.5
415.77753	1.7
483.29410	6.5
501.30804	22.7
519.31921	11.2
543.31653	7.9
561.32892	23.7
705.37036	80.9
706.37091	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	707.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80087	1.8
57.03456	99.5
59.01389	93.2
71.01363	9.8
73.02931	3.3
83.01393	2.1
85.02943	4.6
89.02417	1.9
96.95982	2.9
99.00877	2.8
99.04510	25.0
101.02434	24.5
103.80332	1.9
110.89526	2.2
112.17073	1.9
113.02442	9.3
125.02410	3.4
130.36533	2.0
161.04518	2.4
194.73570	2.1
297.89606	1.8
359.27829	2.6
485.31601	3.6
503.32095	24.1
521.33374	10.9
545.33276	7.9
563.34576	13.3
591.46033	2.0
707.38684	100.0
708.38849	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	709.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	1.5
59.01379	8.5
60.02775	1.0
68.90482	1.1
70.51633	1.0
71.01379	1.5
93.03442	1.9
99.04484	1.5
113.02402	1.3
114.93426	2.0
116.92771	1.2
117.03462	22.5
119.05013	1.7
137.02455	1.4
161.02405	1.8
173.02397	7.5
185.02420	6.5
187.03999	2.9
189.01953	6.5
197.02522	1.7
203.03485	2.4
215.03534	5.9
217.01501	3.0
220.30417	1.3
235.07707	2.1
263.07208	1.3
305.04562	13.3
306.05310	6.3
307.06201	16.8
335.05685	35.1
336.06201	1.9
338.04181	1.4
355.52927	1.6
365.06857	13.4
425.08853	100.0
426.08957	3.0
430.32040	1.2
455.09528	4.5
539.86523	1.4
545.13086	70.4
546.13391	5.7
563.14441	1.9
607.59497	1.2
709.33069	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	709.5273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01937	0.6
50.19312	0.6
58.76154	0.8
59.01389	94.1
60.97424	0.6
61.98830	1.4
62.29944	0.6
64.34656	0.7
69.18873	0.6
79.25487	0.6
99.08141	0.8
101.56255	0.7
129.09203	3.1
137.91553	0.8
141.68355	0.8
162.25020	0.8
183.13879	5.7
195.13863	0.9
240.03152	0.8
249.45200	0.9
277.21729	4.8
279.23315	100.0
280.23590	4.1
281.24847	1.8
284.83771	0.9
295.22769	4.3
313.23898	18.8
368.41635	0.9
374.75696	1.0
402.86017	0.9
491.45663	1.1
494.27567	0.8
634.32690	1.1
656.02942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92844	0.4
55.01868	0.7
57.03440	1.2
59.01102	0.8
59.01384	15.4
63.03946	0.4
66.32300	0.4
67.01882	0.8
68.99809	1.2
69.03448	1.0
71.01378	15.1
72.99303	5.8
73.02927	0.9
75.00869	9.8
81.03432	0.6
83.01376	0.9
85.02943	15.4
87.00866	7.3
89.02435	6.5
91.01889	6.2
91.03954	0.6
93.03419	0.7
95.01365	4.4
96.96043	0.5
97.02986	0.6
99.00883	9.3
99.04497	0.5
100.00395	2.6
101.02448	1.2
103.00374	0.9
108.02171	4.5
109.02947	3.4
111.00869	2.0
113.02441	15.0
115.00352	1.9
117.01929	3.1
120.34526	0.5
123.04511	30.6
124.01685	0.8
124.04884	0.8
125.02430	0.6
129.01932	1.9
131.07135	3.1
138.80266	0.5
139.00429	0.6
144.03026	0.8
148.06288	2.7
150.03236	0.7
151.00357	2.5
152.01141	2.0
153.01924	5.7
164.90421	0.5
167.03482	60.7
168.03854	1.0
175.02431	2.3
226.04869	3.3
227.05583	2.6
231.05124	2.4
241.07239	4.9
249.06155	22.3
249.08760	0.9
267.07251	11.4
269.06726	0.8
293.09729	0.8
293.12692	3.7
323.13400	1.9
357.08295	0.8
399.09406	2.0
417.10422	100.0
418.10883	3.2
652.12537	0.5
706.81073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52908	2.4
52.90113	2.3
59.01396	30.5
71.01381	26.3
72.99313	3.3
73.02937	5.6
85.02938	6.9
87.00864	10.9
89.02427	18.5
90.50165	2.8
96.96037	5.4
97.02965	4.5
99.00920	3.0
101.02441	20.5
113.02445	14.2
117.03450	4.5
119.03508	3.2
125.02468	5.2
132.02145	11.9
134.02757	5.7
134.03728	99.2
143.03506	4.5
149.02444	4.4
149.06096	11.3
151.06116	20.7
160.01646	81.9
161.04546	4.9
164.04767	6.7
175.00377	4.9
175.03992	83.6
178.02699	3.9
181.07045	4.9
190.02721	17.1
191.07143	3.9
192.75127	2.9
193.05052	93.7
196.02037	2.8
205.05046	19.1
223.06064	16.3
235.06157	3.5
264.68680	3.1
295.10358	3.6
329.40509	3.1
337.15210	4.7
341.75165	3.7
363.33319	3.7
444.00336	3.5
451.80167	4.0
451.93124	3.8
457.15240	3.6
651.21521	100.0
652.21442	4.3
689.23547	3.4
689.37451	3.1
711.23694	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	711.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	31.5
67.44184	1.9
71.01363	23.3
73.02923	3.7
76.78040	2.0
78.95878	4.2
82.50064	2.1
85.02939	4.7
89.02433	27.4
97.02917	2.9
101.02422	14.8
113.02428	11.8
119.03492	4.4
121.17931	2.8
125.02446	2.5
137.06647	2.2
137.48602	2.3
149.53127	2.4
164.20404	2.2
182.40671	2.3
228.27455	2.4
235.08246	10.5
253.21707	20.9
277.21732	57.8
292.36581	2.4
297.15344	3.6
305.08490	2.9
397.13501	100.0
415.14532	30.1
592.00909	2.6
675.35822	9.8
711.33691	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47258	2.2
59.01385	28.1
60.36242	2.2
61.57471	2.5
63.83514	2.6
71.01367	18.8
73.02937	4.2
77.20287	2.9
78.95872	4.4
89.02448	19.4
99.62436	2.3
101.02406	19.0
119.03476	2.9
125.02421	4.4
125.97609	2.7
133.16043	2.8
143.03499	3.9
161.04564	3.1
235.08321	3.0
277.21729	64.5
279.23340	3.3
319.30661	3.0
350.61194	2.9
397.13501	100.0
415.14581	30.8
491.40112	3.1
675.35828	15.0
711.33698	77.4
712.34155	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	713.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68477	0.2
54.27863	0.2
59.01386	3.3
63.48881	0.2
71.01364	1.4
73.02910	0.3
78.25996	0.2
93.03441	1.7
96.95998	1.1
101.02444	0.5
102.80498	0.3
116.92842	2.0
117.03447	22.6
118.30302	0.3
123.04528	1.0
135.04526	0.4
139.16959	0.3
145.02930	0.5
147.04504	0.6
149.06061	0.3
159.04587	0.3
161.02374	2.3
163.03981	1.4
166.98398	0.3
167.03499	0.6
173.02420	7.2
175.03937	0.4
175.11337	0.4
177.05554	1.1
185.02414	5.3
186.03326	0.3
187.03992	4.0
189.01921	4.4
190.02617	0.3
191.03448	0.4
197.02480	1.3
201.01984	0.3
203.03606	0.5
213.01956	0.3
215.03513	4.3
217.01430	5.4
222.07146	0.4
227.03366	0.4
235.07759	0.4
241.01411	1.1
243.03021	0.3
251.07188	0.3
255.30920	0.3
261.05566	0.5
262.06158	0.3
263.07147	1.1
265.04953	0.3
271.02420	0.4
279.06491	0.5
283.06207	0.4
289.05081	0.5
293.04633	2.8
305.01315	0.5
305.04541	9.4
305.10449	0.4
306.05270	5.1
307.06119	14.9
317.04584	1.3
323.05658	0.6
335.05637	24.2
336.05862	0.6
337.07294	0.5
338.04163	2.4
347.05518	0.4
353.06870	0.5
365.06683	10.3
377.06732	0.5
395.07813	0.5
407.07681	0.5
425.08798	100.0
426.09174	3.3
455.09793	2.7
545.13049	64.6
546.13208	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	713.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26603	0.2
53.97610	0.2
57.03443	0.5
59.01384	2.7
63.82944	0.2
71.01385	1.6
73.02965	0.3
73.60455	0.2
89.02444	0.5
93.03441	2.1
96.95996	0.4
99.04499	0.4
101.02443	0.5
108.02190	0.3
116.92825	1.8
117.03442	23.1
119.05028	0.4
123.04534	1.2
133.14905	0.2
135.04526	0.6
145.02998	0.5
149.42459	0.3
159.04477	0.4
161.02457	2.4
161.04620	0.3
163.04045	1.1
164.79907	0.3
167.03485	0.5
173.02419	7.9
175.00359	0.3
175.04031	0.5
177.05579	0.5
178.03145	0.3
181.72710	0.3
185.02420	4.4
187.00372	0.3
187.04010	4.1
188.96558	0.3
189.01939	4.1
191.03561	0.3
197.02412	2.1
200.99651	0.2
201.01936	0.5
203.03529	2.1
205.05051	0.3
207.08221	0.3
213.01897	0.4
215.03476	4.5
217.01425	4.3
221.06081	0.3
227.03471	0.6
235.07681	1.0
241.01443	1.3
245.04568	0.5
251.06921	0.3
261.05627	0.9
262.06415	0.3
263.07111	1.6
271.02585	0.5
277.05042	1.0
279.06702	1.1
289.05243	0.6
293.04599	1.7
295.06195	1.0
297.07648	0.3
305.04532	10.1
306.05276	7.3
307.06104	13.5
309.07697	0.4
311.06009	0.3
317.04605	1.2
321.04092	0.4
323.05649	1.1
325.07031	0.3
335.05621	28.8
336.06067	0.6
337.07117	0.9
338.04303	2.8
347.05634	1.1
353.06998	0.8
365.06659	11.9
377.06665	0.8
389.06677	0.4
395.07730	1.3
407.07361	0.4
425.08813	100.0
426.09222	3.1
455.09811	2.2
501.92023	0.3
545.13025	72.9
546.13245	2.5
713.35309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89091	0.2
55.01894	1.7
56.37380	0.2
57.03463	1.1
58.00597	1.4
59.01389	42.8
63.45359	0.2
64.34711	0.2
68.99841	0.2
69.03457	2.9
71.01383	29.4
72.99303	1.8
73.02945	6.1
75.00871	0.4
75.13552	0.2
78.95875	0.2
81.03449	1.8
83.01382	3.1
83.01818	0.2
83.05012	0.2
85.02945	7.1
86.00105	0.4
87.00866	5.6
89.02436	28.7
91.04019	0.7
95.01367	1.9
97.02938	5.1
97.03516	0.2
99.00875	1.9
99.04617	0.3
101.02429	23.1
103.04004	0.2
109.02959	0.4
111.00800	0.2
111.04535	0.9
113.02436	10.1
116.92883	0.3
119.03481	8.2
121.02920	0.4
122.84716	0.2
125.02434	8.5
127.04002	0.4
131.03476	0.3
133.05096	1.2
137.02455	0.2
139.04041	0.9
142.24916	0.2
143.03479	3.8
143.04398	0.2
149.04573	0.9
159.04649	0.2
161.04549	3.7
167.03455	0.3
169.05058	0.4
179.05595	3.1
185.04620	0.4
217.07161	0.4
219.94127	0.2
221.06606	1.5
227.87688	0.2
235.08212	8.6
245.06770	0.4
245.47803	0.2
251.33731	0.2
253.09193	1.4
255.23289	100.0
256.23615	2.7
263.07593	0.7
269.24771	0.3
277.09232	0.2
287.07660	2.1
305.08795	2.6
323.09836	1.0
379.12732	0.4
397.13504	75.0
398.13846	1.8
415.14569	19.9
653.37628	5.9
654.37781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26444	0.3
52.88581	0.3
54.50601	0.3
55.01870	1.9
57.03432	1.7
58.00589	1.0
59.01383	49.8
69.03448	2.4
71.01379	31.4
72.15475	0.4
72.99292	1.0
73.02942	5.3
75.00864	0.4
78.95920	0.4
81.03440	1.7
83.01380	4.5
85.02949	8.6
87.00870	5.8
89.02432	31.7
95.01376	2.8
97.02939	6.2
99.00845	1.7
100.04546	0.4
101.02433	26.3
111.04483	0.9
113.02440	11.9
115.04051	0.6
116.92838	0.7
119.03490	8.2
124.01664	0.4
125.02407	9.3
128.08908	0.5
129.01814	0.4
131.03479	0.6
133.05087	0.6
139.04016	0.6
143.03481	3.3
149.04509	0.6
161.04544	5.0
169.05051	0.7
172.53534	0.5
179.05595	3.6
217.07307	0.5
221.06676	2.0
235.08232	9.9
253.09189	1.0
255.23305	100.0
256.23703	2.9
263.07730	0.9
287.07736	3.7
305.08652	3.6
319.35001	0.5
323.09854	0.8
397.13522	84.8
398.13892	2.3
415.14587	25.5
521.15521	0.4
611.41333	0.5
653.37579	6.3
721.96301	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03071	0.1
60.45623	0.2
78.02715	0.2
83.05023	0.5
92.11738	0.5
104.81580	0.1
225.16060	0.8
472.50455	0.2
652.37665	0.2
677.49658	2.9
713.47443	100.0
714.47656	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	715.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64997	2.3
71.01395	6.6
72.34354	2.6
85.02955	4.2
121.02938	22.8
122.03727	3.0
123.00874	11.4
130.58730	2.7
135.12508	2.8
137.02419	18.1
137.54897	2.5
138.03204	4.7
139.00363	3.8
146.51628	2.7
147.04498	4.7
150.03244	5.7
153.05563	14.1
154.38329	2.9
158.14670	2.6
159.04507	17.6
160.05290	52.1
161.06157	20.3
161.07274	2.6
163.03986	6.2
166.99915	5.0
173.06096	3.0
175.07605	36.2
177.05577	5.2
178.06361	12.1
181.01414	6.4
182.02257	15.3
183.03020	15.4
197.04546	50.9
326.06442	13.6
329.13913	36.9
341.08786	100.0
518.04633	2.6
645.63507	3.1
671.23798	28.0
715.22491	13.4
731.40381	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	717.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64851	0.6
56.34651	0.5
59.01376	1.2
60.29844	0.7
70.25359	0.6
71.05401	0.6
73.02936	6.6
78.95899	8.6
84.68343	0.7
85.02946	0.8
89.91542	0.7
90.13360	0.6
100.37865	0.8
107.05000	4.8
109.06583	19.9
127.07639	68.2
128.07977	0.8
152.99561	7.4
171.06616	100.0
172.07005	1.1
255.23329	16.4
256.23615	10.1
257.23929	4.0
283.34497	0.7
350.56082	0.7
406.65619	0.8
442.83594	0.6
454.97379	3.1
502.97388	1.0
534.67413	0.7
637.08752	0.9
716.51715	11.4
717.41644	1.7
717.53046	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	717.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	19.3
60.70413	3.6
71.01374	4.8
75.93205	3.6
78.95914	18.3
90.16708	4.0
98.63472	4.3
99.92538	5.7
116.92851	100.0
116.97256	39.9
129.47940	4.3
151.87958	4.0
152.40802	4.5
152.99632	8.2
156.08878	4.3
159.10255	21.4
178.80943	3.9
190.62180	4.6
255.23189	15.1
265.19312	4.3
279.23285	21.5
283.26352	23.3
397.13464	32.6
415.14499	6.3
457.25729	4.1
681.40625	6.2
716.52362	6.9
717.38434	39.9
717.50745	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	719.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01118	0.5
59.01389	10.3
62.91489	0.4
71.01393	6.9
85.61626	0.4
87.00865	0.6
89.02437	13.8
95.08142	0.4
99.16116	0.4
101.02440	4.7
113.02448	3.9
119.03471	5.4
121.52286	0.4
143.03528	0.8
161.04567	2.0
179.05606	6.0
215.03293	4.8
238.53180	0.4
299.38904	0.5
341.10886	21.8
342.11090	0.8
377.08578	100.0
378.08878	3.4
435.91681	0.5
541.22864	0.5
571.13147	0.5
678.61853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77695	0.6
66.64317	0.7
81.03483	3.4
83.05027	12.0
88.46035	0.7
92.11633	1.5
98.01938	0.7
109.14177	0.6
129.13411	0.8
224.17680	1.7
225.16196	9.2
302.42725	0.9
451.33054	7.3
677.49786	100.0
678.50153	13.1
720.50360	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06332	1.2
52.55175	1.2
54.87502	1.1
55.19151	1.2
58.97585	1.2
59.01381	11.5
59.01611	1.1
69.19205	1.2
71.01387	1.4
89.02410	1.4
92.36369	1.3
94.02940	3.3
108.04537	15.7
110.05998	1.4
116.92847	1.8
120.04532	7.9
122.02488	1.5
122.06078	16.4
132.04526	8.0
134.06093	2.1
136.03984	8.6
136.07655	18.5
138.05597	19.4
150.05600	18.0
152.07202	1.7
164.07095	2.4
165.04300	12.0
176.03564	5.4
182.04543	7.5
186.09186	8.2
190.05099	12.0
194.04431	1.4
197.03282	8.1
201.06680	3.5
202.12318	6.6
212.10849	1.7
214.07547	1.9
215.08218	3.4
228.10260	6.7
229.09804	23.7
230.12024	13.9
245.09311	9.0
251.08275	3.5
255.11334	6.5
257.09436	15.7
258.10019	5.4
269.04535	1.7
273.12469	31.5
281.09262	2.6
311.10217	1.8
317.11432	19.8
335.12521	100.0
336.12808	1.4
341.11310	6.5
371.08820	3.3
385.10483	55.8
386.11157	19.7
394.40067	1.7
661.21594	3.2
721.23511	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	723.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14399	0.4
62.76282	0.5
71.01383	0.7
78.95903	77.6
79.95735	1.0
89.02433	0.6
91.34499	0.5
96.96001	94.2
96.96951	100.0
111.02944	0.5
115.39157	0.5
129.29369	0.5
130.02136	0.4
152.21753	0.5
157.07646	0.6
177.40984	0.5
309.11633	0.9
392.04160	0.6
404.13437	0.5
507.59885	0.5
625.19464	2.5
629.10913	0.5
723.17969	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33789	0.2
55.91459	0.2
61.94835	0.3
66.38344	0.2
72.36605	0.3
80.05038	0.2
81.03452	5.3
83.05019	16.4
85.71994	0.2
92.11692	0.6
101.12157	0.3
108.04562	0.4
111.15655	0.2
119.58512	0.3
125.07195	1.4
140.64278	0.3
143.08253	0.3
168.30963	0.3
207.15031	1.1
224.17686	2.3
225.16093	13.4
225.18283	0.6
226.16490	0.4
234.06177	0.3
242.18690	0.5
309.21912	0.6
333.22906	0.6
341.29221	1.3
367.26965	2.1
433.31750	1.4
450.34503	1.7
451.32910	9.3
452.33054	0.4
550.43402	1.7
593.44574	0.4
648.80707	0.3
659.48822	3.3
660.48718	0.3
677.49719	100.0
678.49951	8.3
680.50879	0.6
723.49884	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	725.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67603	0.4
59.01377	4.0
71.01373	3.2
83.01331	0.6
83.94417	0.4
85.02949	0.8
89.02441	0.8
93.03451	3.7
95.01388	0.5
101.02427	0.6
107.09481	0.5
112.11126	0.5
113.02418	1.1
117.03443	12.1
119.05007	3.3
123.04543	0.7
133.06567	1.0
134.03790	0.6
135.04495	5.8
145.02983	0.7
147.04495	1.9
149.02417	3.1
149.06088	0.6
159.04514	2.6
161.02376	5.4
161.06070	1.0
163.00304	0.5
163.04024	4.0
175.03989	4.3
177.01924	1.2
177.05544	3.2
179.03473	0.6
186.65030	0.5
187.04008	0.9
189.01976	2.1
191.03526	3.5
193.05029	0.7
203.03552	4.4
205.05055	1.2
213.05748	0.5
215.03505	1.1
217.05070	1.1
221.04550	1.0
224.08371	0.7
225.05621	0.9
227.03484	0.9
229.04904	0.5
233.04626	1.9
235.77118	0.5
238.06271	0.7
245.04604	2.4
251.07071	1.0
253.08546	0.7
265.05197	0.6
267.06714	2.3
268.07510	2.9
269.04541	0.9
275.05469	0.7
279.06497	0.9
281.04474	2.4
282.05298	4.9
283.06079	8.7
293.04639	1.9
293.07825	0.6
294.05249	0.7
295.06149	10.7
296.06882	6.5
297.07700	43.2
298.07925	0.7
307.06204	4.8
308.06659	0.5
309.04501	0.7
309.07687	4.5
311.05682	7.4
314.04590	0.6
319.05988	0.8
321.07648	0.9
322.04678	0.6
323.05692	9.8
323.09244	0.9
324.06357	1.9
325.07211	18.3
326.04269	0.7
326.07739	0.9
328.05881	8.9
333.07407	0.7
335.05807	5.1
336.06015	0.7
337.07120	6.3
340.05801	0.8
341.06741	1.1
347.05692	0.6
349.07147	0.9
351.05084	2.2
351.08813	1.0
353.06696	78.8
354.07248	4.6
355.08279	3.3
356.05493	2.8
361.07053	0.8
365.06644	10.1
366.07071	0.8
367.08365	1.9
377.06552	0.8
379.08252	1.8
381.06113	0.7
383.07748	51.6
384.08081	4.0
389.06915	0.8
395.07767	11.0
407.07791	8.6
413.08771	8.9
425.08868	9.0
437.08786	1.1
443.09900	16.5
455.09915	1.9
473.10840	6.5
527.12128	0.7
545.13245	2.7
635.16180	1.2
693.82782	0.6
725.19434	100.0
726.19928	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	725.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60579	0.3
59.01379	2.5
64.34440	0.4
71.01371	2.3
73.02933	0.7
75.00823	0.5
77.50270	0.3
79.01859	0.4
83.01431	0.4
85.02946	1.5
89.02402	0.7
91.05509	0.4
93.03429	2.2
95.01390	1.7
101.02406	0.8
101.06064	1.7
113.02435	0.6
117.03453	10.3
118.45517	0.4
119.05009	1.8
121.02971	0.7
131.05003	0.6
133.02969	0.4
133.06593	0.5
135.04518	5.1
137.02493	0.5
145.02878	0.7
147.04495	0.7
149.02385	1.5
149.06062	0.6
159.04536	0.9
161.02425	5.1
163.03975	2.3
173.02417	0.5
173.06003	0.5
175.03992	4.2
177.01918	1.0
177.05551	2.9
179.03438	1.4
185.02533	0.4
187.03989	0.5
189.01865	0.7
189.05576	1.5
191.03476	1.9
193.04951	0.5
203.03525	3.0
205.01474	0.7
205.05035	2.5
215.03503	0.9
217.05075	0.7
221.04558	2.0
224.08493	0.7
225.09183	0.5
233.04474	2.1
238.06302	0.5
239.07129	0.6
245.04552	0.6
247.02466	0.4
251.07124	0.6
253.08746	1.4
267.06595	2.3
268.07352	2.1
281.04520	2.5
281.07657	0.5
282.05334	3.8
283.06100	8.6
293.04614	0.6
293.08377	0.5
294.05228	0.7
295.06088	10.2
296.06845	5.6
297.07687	37.8
298.08011	0.6
307.06070	4.4
309.07578	4.4
311.05618	6.8
323.05621	8.7
324.06372	1.7
325.07178	15.9
328.05841	7.9
333.07480	0.4
335.05722	2.7
337.07169	6.9
339.08838	0.5
339.87955	0.6
341.06894	0.8
349.07373	0.6
351.04913	1.4
351.12714	0.6
353.06683	64.9
354.07254	1.6
355.08310	2.7
356.05405	2.5
365.06686	8.4
367.08249	0.6
377.06885	0.5
381.06351	0.5
383.07764	42.9
384.07748	0.6
386.06519	0.5
395.07800	6.7
407.07626	0.5
409.09445	0.7
413.08728	6.0
425.08752	2.0
437.08847	1.7
443.09845	15.7
453.08237	0.5
455.09564	0.6
473.10919	9.5
485.10883	0.7
503.12000	0.7
635.16040	0.5
665.22504	0.4
725.19373	100.0
726.19690	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	725.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71653	0.4
59.01386	87.5
63.44867	0.4
78.56181	0.4
91.04012	0.5
94.18459	0.5
136.35095	0.4
139.96680	0.4
152.99721	0.5
171.10320	0.6
183.13850	1.0
211.13431	6.9
229.14462	3.1
279.23309	100.0
280.23615	2.6
281.24869	12.3
293.21268	0.8
293.78091	0.6
295.22876	0.9
311.22430	6.2
329.23389	17.5
344.44516	0.6
591.46497	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	727.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	14.4
58.00591	2.2
59.01384	99.7
64.63251	2.0
69.03461	8.5
71.01385	94.9
72.99266	2.0
73.02935	18.7
83.01385	3.5
85.02966	25.4
87.00872	15.6
89.02445	100.0
95.01381	5.5
97.02958	9.1
99.00855	4.6
101.02438	86.0
111.00854	3.0
113.02449	49.4
119.03478	39.7
124.01662	8.9
125.02428	55.6
131.03506	13.1
139.04048	2.9
143.03494	11.6
161.04567	29.3
179.05598	65.5
221.06677	24.0
322.52072	2.8
323.09906	3.8
341.10959	3.5
347.88477	3.0
383.11929	11.5
425.12762	2.4
485.15140	14.2
606.02411	2.9
625.19843	91.2
626.20825	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	727.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	14.4
58.00591	2.2
59.01384	99.7
64.63251	2.0
69.03461	8.5
71.01385	94.9
72.99266	2.0
73.02935	18.7
83.01385	3.5
85.02966	25.4
87.00872	15.6
89.02445	100.0
95.01381	5.5
97.02958	9.1
99.00855	4.6
101.02438	86.0
111.00854	3.0
113.02449	49.4
119.03478	39.7
124.01662	8.9
125.02428	55.6
131.03506	13.1
139.04048	2.9
143.03494	11.6
161.04567	29.3
179.05598	65.5
221.06677	24.0
322.52072	2.8
323.09906	3.8
341.10959	3.5
347.88477	3.0
383.11929	11.5
425.12762	2.4
485.15140	14.2
606.02411	2.9
625.19843	91.2
626.20825	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	727.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82721	0.6
58.00587	1.1
59.02909	0.5
61.74537	0.6
64.39599	0.6
71.20260	0.6
99.08138	14.2
116.92843	1.5
127.07616	2.7
129.09207	19.5
147.05936	0.6
183.13895	39.2
195.13907	3.0
241.96428	0.7
248.41031	0.7
252.45186	0.7
258.75598	0.7
277.21710	1.6
295.22867	9.7
311.22375	1.2
313.23868	100.0
314.24219	3.4
353.46286	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	2.5
59.01107	3.7
59.01392	93.7
66.32644	2.0
69.03448	3.4
71.01386	89.6
72.99300	9.3
73.02940	16.3
78.07834	2.1
80.34196	2.3
83.01382	8.8
85.02964	24.6
87.00856	10.8
89.02446	100.0
92.11788	3.8
95.01355	3.2
97.02937	14.2
99.00894	3.6
101.02441	79.6
102.38084	2.2
113.02441	43.9
114.05862	2.1
119.03486	42.8
125.02415	46.1
131.03471	10.2
138.84889	2.5
143.03479	9.3
153.01921	12.5
161.04544	29.5
168.04286	4.1
171.32285	2.4
179.05598	74.2
188.78345	2.7
221.06700	22.3
285.31476	2.5
293.12521	2.8
317.47128	2.4
323.10077	6.2
323.13541	15.1
330.59012	3.2
341.10797	4.0
377.58807	2.1
383.12039	14.1
425.12802	3.5
452.05026	2.7
485.15128	27.0
615.68414	2.8
659.76245	2.7
669.22864	4.7
676.55060	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	729.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.0
59.01385	17.2
66.34872	1.1
68.60807	1.0
68.99800	1.3
69.03452	1.3
71.01384	12.6
72.99303	2.0
75.00865	15.6
75.81041	1.0
85.02955	15.4
87.00847	2.8
88.19549	1.1
89.02446	2.8
93.03450	1.1
95.01416	1.9
99.00880	8.3
113.02450	15.9
116.92870	2.5
117.01954	4.3
121.02939	77.6
132.76335	1.2
152.13730	1.2
184.86349	1.2
189.83792	1.2
224.45161	1.3
231.05133	2.5
249.06149	35.3
371.09842	100.0
372.10245	2.1
410.08780	1.2
661.46637	1.2
743.08215	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	730.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57710	0.4
60.23906	0.4
78.95897	40.7
80.19804	0.4
85.95927	0.5
91.83965	0.4
96.96967	3.8
99.08132	1.0
111.76009	0.5
150.97964	0.6
152.99591	45.2
155.14409	1.7
171.00705	0.6
209.87140	0.5
225.22249	3.2
253.21922	0.5
255.23308	100.0
256.23618	5.1
269.21674	0.6
271.22830	27.1
272.23074	0.8
277.21738	0.8
279.23331	10.1
295.22809	2.3
339.77457	0.4
474.26385	3.4
553.44244	0.5
580.34009	0.5
730.50293	74.7
731.50586	5.4
762.72186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	2.9
64.79183	0.3
78.95900	33.1
92.12370	0.6
96.96947	3.1
99.70162	0.3
122.29410	0.3
134.38560	0.3
134.62836	0.4
150.98032	0.5
152.99585	36.5
153.99884	0.4
155.14442	0.4
165.58957	0.4
195.13921	0.5
225.22223	0.7
255.23309	100.0
256.23746	4.0
268.75189	0.4
271.22849	7.6
277.21628	0.5
279.23288	6.2
281.24884	0.7
295.22668	1.5
304.31097	0.4
474.26300	3.9
730.50342	76.1
731.50769	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	733.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82569	1.5
57.01352	1.2
57.03453	100.0
59.01382	97.9
64.94982	1.4
70.84267	1.3
71.01376	9.0
72.23116	1.3
73.02931	1.6
83.01366	2.7
84.89474	1.3
85.02952	6.5
99.04505	31.4
101.02438	28.9
113.02365	2.6
161.04475	3.0
461.36349	1.7
467.30292	10.8
485.31189	16.9
503.32599	6.1
527.32245	5.5
545.33539	9.7
559.21234	1.9
669.48981	1.8
679.77789	1.8
689.37598	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97994	1.1
54.27376	1.4
54.83007	1.1
57.03452	92.7
58.13039	1.4
59.01384	100.0
66.41699	1.3
71.01376	10.5
73.02912	2.2
83.01383	2.5
83.61385	1.3
85.02929	5.6
89.02396	1.8
99.04507	49.2
101.02430	29.7
113.02409	2.3
114.39633	2.1
116.19377	1.3
125.02355	2.1
130.19197	1.5
161.04530	2.8
191.60004	1.3
243.10397	1.5
355.17026	1.4
375.23709	2.6
464.71970	1.3
485.31027	7.7
491.62833	1.5
527.32147	2.6
545.33313	6.7
618.44647	1.6
647.37018	1.7
689.37549	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	2.8
56.38742	0.3
57.03458	1.2
58.00596	1.9
59.01392	56.8
59.13581	0.3
60.76838	0.3
68.39221	0.4
69.03454	2.4
70.21979	0.3
71.01387	37.0
72.99312	2.2
73.02937	7.0
75.00842	0.4
77.22003	0.3
78.95877	0.3
80.00533	0.3
81.03448	1.6
83.01389	4.4
85.02467	0.4
85.02952	8.1
86.00066	0.5
86.03107	0.3
87.00877	6.6
89.02442	31.5
91.03992	0.5
95.01381	3.2
95.59620	0.3
97.02943	5.2
99.00871	2.4
99.04491	0.4
101.02432	26.8
103.03954	0.4
109.02908	0.4
111.04498	0.7
113.02440	14.0
116.92821	1.3
119.03484	8.4
119.80374	0.3
120.99210	0.3
121.02937	0.5
125.02431	10.9
131.03464	0.8
133.05064	0.7
139.04019	0.5
141.01971	0.5
141.05562	0.3
143.03506	4.1
149.04544	0.8
161.04555	4.3
175.91315	0.3
179.05566	3.4
185.04497	0.3
217.07121	0.7
221.06592	2.9
233.22632	0.4
235.08221	10.0
240.05928	0.3
242.48842	0.4
245.06679	0.4
253.09264	2.2
259.20505	0.5
263.07794	0.8
277.21719	100.0
278.22107	4.6
283.61722	0.3
287.07706	2.2
305.08725	2.7
320.69794	0.4
323.09875	0.7
371.16772	0.4
379.12527	0.4
397.13519	84.6
398.13779	3.8
415.14597	30.9
416.14914	1.2
675.35791	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	735.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72805	0.3
55.01876	2.1
57.03462	1.2
57.32620	0.2
58.00588	1.5
59.01386	58.1
64.56048	0.3
69.03458	2.5
71.01381	35.5
72.99311	2.5
73.02946	7.3
81.03445	2.2
83.01385	4.7
83.05023	0.5
85.02946	8.6
87.00875	7.4
89.02437	33.0
89.36200	0.3
89.70004	0.3
90.02726	0.3
92.11715	0.8
92.79324	0.4
93.03457	0.5
95.01391	2.3
97.02946	6.9
99.00870	2.6
99.04498	0.5
101.02436	29.9
104.97140	0.3
109.02944	0.5
111.00822	0.5
111.04512	0.7
113.02442	15.0
115.03983	0.4
119.03487	8.9
121.02953	0.7
124.01678	0.4
125.02438	9.4
127.04015	0.4
128.34688	0.3
131.03482	0.7
133.05061	1.4
137.02441	0.4
139.03975	0.8
141.01918	0.5
143.03510	4.5
149.04547	0.7
161.03381	0.5
161.04565	5.0
176.80682	0.3
179.05640	4.2
185.04465	0.6
190.87440	0.3
217.07079	0.5
221.06683	3.3
233.22823	0.4
235.05937	0.6
235.08240	10.4
253.09286	2.2
263.07816	1.4
272.44492	0.4
277.21738	100.0
278.22079	5.2
287.07733	2.9
305.08911	3.2
323.09842	1.2
379.12378	0.4
384.09335	0.3
397.13544	97.3
398.13809	3.5
415.14621	30.6
416.14865	0.4
485.22165	0.4
675.35822	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	736.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34320	0.4
78.95900	54.9
92.72913	0.5
95.62543	0.4
96.96950	4.8
97.61060	0.5
104.11076	0.4
129.90475	0.5
150.97993	0.6
152.99580	51.4
168.32889	0.4
171.00697	0.7
190.84691	0.4
266.97995	0.4
277.21719	47.4
278.22079	2.2
279.23282	100.0
280.23636	4.1
366.15158	0.5
456.25262	2.7
458.26987	1.0
493.07974	0.5
736.49255	84.0
737.49469	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	737.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41000	0.1
58.02974	0.2
59.01383	15.8
59.47589	0.1
80.05057	0.3
81.03448	6.8
83.05018	22.1
84.05370	0.1
89.37957	0.1
92.05029	0.1
96.04531	0.1
100.07674	0.5
107.06154	0.5
108.04543	0.6
125.07188	1.9
126.05611	0.4
143.08226	0.6
157.13454	0.1
180.67929	0.1
181.17000	0.1
183.15030	0.1
199.18251	0.2
207.15002	2.0
208.13499	0.2
224.17696	3.9
225.16086	15.4
226.16370	0.1
242.18704	1.0
250.15555	0.2
261.37723	0.1
268.16867	0.1
271.92450	0.1
274.51511	0.1
290.22388	0.1
291.20728	0.1
309.21829	1.0
324.26514	0.9
333.22870	1.0
339.27777	0.2
341.29208	1.1
350.24365	0.1
351.23987	0.3
367.27087	1.8
385.28256	0.5
407.33917	0.2
433.31839	1.6
450.34595	2.0
451.32956	10.2
452.32806	0.3
476.32730	0.1
535.39001	0.1
550.43463	1.2
559.39972	0.6
565.44495	0.7
567.46130	0.4
577.40857	0.1
593.44031	0.8
623.71704	0.1
659.48700	3.0
677.49756	100.0
678.50055	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	738.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35745	0.6
55.01884	1.3
57.03465	3.2
58.94925	0.6
59.01107	1.3
59.01388	21.7
63.24145	0.6
67.01908	0.8
68.99807	0.6
71.01392	15.6
72.98966	0.6
72.99337	5.9
73.02940	1.6
75.00880	16.2
79.91383	0.7
80.61441	0.6
81.03452	1.1
83.01389	1.3
85.02960	19.2
87.00890	5.1
89.02469	6.9
93.03452	0.8
95.01404	5.1
99.00869	9.0
101.02444	2.8
103.00354	1.1
111.00861	0.8
113.02462	18.1
115.00374	0.8
116.05067	1.3
117.01973	3.0
119.03533	0.7
121.02951	89.1
129.01950	1.6
137.09727	0.7
142.06625	27.4
144.04750	0.7
157.01418	0.7
158.06152	3.0
174.67690	0.6
175.02563	0.8
175.03995	1.5
184.89050	0.6
186.05597	11.1
204.06674	7.1
231.05151	4.0
249.06168	39.2
307.01746	0.7
366.11990	20.1
371.09863	100.0
372.10263	3.7
422.52261	0.8
623.94952	0.7
679.20636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31055	0.1
59.01382	2.3
59.83406	0.1
60.01705	0.2
61.98832	100.0
67.07805	0.1
67.45119	0.1
71.01382	1.4
72.01740	0.2
73.02948	0.2
78.95896	4.0
85.02946	0.6
87.00861	0.3
89.02432	1.7
91.21831	0.1
92.12453	0.7
96.96934	0.3
101.02428	1.2
113.02460	0.3
113.32848	0.2
125.02439	0.2
144.97871	0.2
152.99576	3.5
161.04582	0.3
235.08113	0.2
277.21704	1.9
278.22067	2.7
279.23294	9.3
280.22672	0.2
283.19147	0.2
303.09427	0.2
397.13608	0.7
398.14090	1.0
399.13974	2.1
400.14691	0.8
415.14886	0.2
416.15067	0.3
417.15485	0.4
418.15506	0.3
504.15451	0.1
738.51038	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	738.356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06667	0.2
56.91312	0.2
59.01386	2.7
60.01715	0.2
61.98842	100.0
64.65022	0.2
70.64127	0.2
71.01402	1.4
72.01764	0.2
73.02962	0.3
80.54357	0.2
86.79903	0.2
87.00893	0.3
89.02436	1.2
90.02783	0.2
101.02428	1.2
101.03120	0.2
102.02855	0.2
113.02505	0.2
118.06596	0.2
172.01889	0.2
179.05658	0.2
220.04073	0.2
235.08389	0.2
277.21658	2.0
278.22137	2.2
279.22763	1.0
397.13730	1.2
398.13751	1.6
399.14047	1.7
400.14520	0.7
416.15326	0.6
417.15332	0.9
563.59393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5091
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
63.65231	0.2
77.44251	0.2
78.95901	36.6
87.72452	0.2
96.96958	2.8
118.91785	0.3
150.98030	0.5
151.47946	0.3
152.99593	34.2
171.00653	0.5
172.22653	0.3
206.82310	0.3
240.45419	0.3
261.22208	1.2
262.77060	0.3
277.21713	0.4
279.23306	100.0
280.23663	3.9
281.24826	0.6
353.84381	0.3
415.22614	0.6
458.26941	2.6
476.27991	0.4
543.78210	0.3
730.91357	0.4
738.50885	61.1
739.51190	4.5
765.25146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82732	0.1
59.01392	1.8
62.06599	0.1
64.16744	0.1
65.06740	0.1
67.25887	0.1
67.72985	0.1
71.01388	1.2
76.57804	0.1
85.02914	0.1
93.03444	2.4
99.79258	0.2
107.86636	0.1
117.03456	26.4
118.03806	0.3
119.04988	0.3
131.05067	0.3
133.03004	0.2
134.03729	2.8
134.04643	0.2
135.04558	0.6
139.89912	0.1
145.02980	0.8
147.04543	0.3
149.02495	0.2
149.06126	0.3
150.88405	0.2
159.04518	0.8
161.02438	3.1
163.03995	1.4
171.04427	0.3
173.02432	8.8
175.00397	0.3
175.04033	1.2
177.05589	1.2
185.02443	5.1
187.00421	0.2
187.04025	4.7
188.01224	0.2
189.01938	5.7
189.05566	0.2
191.03584	0.3
193.05093	0.7
197.02426	1.9
199.00354	0.2
199.04077	0.2
201.01955	0.6
203.03540	2.6
207.86650	0.2
213.02019	0.3
214.02779	0.2
215.03511	5.4
217.01428	5.4
217.04872	0.3
220.05272	0.2
221.06059	0.3
223.07625	0.2
227.03514	1.0
229.01341	0.2
233.06171	0.3
235.07664	0.8
237.05525	0.2
241.01453	1.4
243.02927	0.3
245.04532	0.9
248.04774	0.2
249.05486	0.3
251.07086	0.3
257.04529	0.2
261.05627	1.0
262.06381	0.3
263.07190	2.0
264.42825	0.1
265.05173	0.3
267.60217	0.1
269.04636	0.3
271.02505	1.0
277.05139	0.3
278.05725	0.4
279.06586	0.9
283.06097	0.6
289.05042	0.6
291.06573	0.3
293.04514	1.9
293.07623	0.2
295.06140	1.1
296.07062	0.2
297.07785	1.3
305.04578	11.0
306.05319	8.6
307.06140	15.2
308.06485	1.0
309.07721	1.0
311.05658	0.3
317.04553	1.4
319.06122	0.3
321.04398	0.4
321.07684	0.3
322.04749	0.2
323.05704	1.4
325.07285	0.2
332.06787	0.2
333.07559	0.2
334.04941	0.3
335.05658	34.0
336.06033	1.5
337.07291	1.2
338.04327	2.4
341.06708	0.2
347.05624	1.0
349.07208	0.8
353.06744	2.4
356.05243	0.2
365.06705	14.7
366.06964	0.7
377.06680	1.1
383.07809	1.8
389.06732	0.6
395.07648	1.3
407.07669	0.3
413.09009	0.3
425.08835	100.0
426.09094	5.1
437.08463	0.3
438.59668	0.2
443.09818	0.2
455.09937	2.7
473.10397	0.2
530.11633	0.2
545.13092	68.1
546.13251	3.2
563.14069	2.6
739.18817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68233	0.2
55.01874	1.7
57.03437	0.7
58.00589	1.6
59.01386	37.4
64.34955	0.3
69.03438	1.7
71.01381	28.9
71.42982	0.3
72.99308	2.2
73.02940	5.0
74.87228	0.3
75.00874	0.4
78.95882	2.0
79.76514	0.3
81.03455	0.8
82.95406	1.8
83.01383	3.7
84.95119	6.9
85.00432	0.7
85.02463	0.4
85.02944	6.8
87.00859	5.5
89.02438	26.7
91.04008	0.4
95.01371	2.2
97.02952	4.7
97.56928	0.4
99.00848	2.1
101.02434	22.0
101.29166	0.3
111.00893	0.4
111.04501	0.5
113.02440	10.4
119.03476	6.4
121.02916	0.5
125.02435	8.1
131.03496	0.5
133.05074	0.7
134.89456	0.6
139.04002	0.5
141.01955	0.4
143.03522	2.6
152.99577	1.7
161.04549	4.7
167.03487	0.3
179.05620	3.6
185.04524	0.4
217.07249	0.5
221.06712	2.3
227.48537	0.3
235.08250	8.0
245.06566	0.6
250.39415	0.3
253.09326	1.7
263.07742	0.5
279.23358	5.8
280.23627	2.8
281.24875	100.0
282.25220	4.7
287.07690	2.0
305.08755	2.4
323.09689	0.5
379.12592	0.5
397.13541	76.2
398.14005	2.2
402.91803	0.3
415.14600	24.4
416.15103	0.5
679.39142	3.4
680.39905	0.4
739.51166	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	740.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59868	0.1
59.01387	1.8
60.01715	0.2
61.01814	0.1
61.98833	100.0
71.01376	1.1
72.01714	0.2
72.99348	0.1
73.02956	0.1
75.70473	0.1
78.92529	0.1
85.02956	0.2
87.00864	0.2
89.02422	1.1
90.02784	0.1
101.02428	0.9
102.02785	0.1
113.02457	0.4
114.02774	0.1
119.03514	0.1
125.02425	0.4
128.91685	0.1
143.03566	0.1
179.05707	0.1
199.39026	0.1
235.08205	0.1
236.08423	0.1
279.23325	2.2
280.23651	2.2
281.23923	1.0
282.24185	0.2
397.13589	0.8
398.13885	1.0
399.14114	1.7
400.14435	0.8
415.14594	0.1
416.15060	0.5
417.15256	0.4
418.15573	0.1
652.89020	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	740.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.1
57.61259	0.1
58.97749	0.1
59.01381	1.7
60.01717	0.2
60.23716	0.1
61.01809	0.1
61.98835	100.0
67.99236	0.1
71.01378	1.3
72.01720	0.1
73.01810	0.1
73.02934	0.2
76.40843	0.1
78.63428	0.1
85.02950	0.1
85.80223	0.1
87.00880	0.1
89.02441	1.0
91.25034	0.1
91.46745	0.1
97.02950	0.2
97.13329	0.1
101.02440	0.5
102.02785	0.1
113.02460	0.2
119.03522	0.1
125.02454	0.2
126.02882	0.1
145.80861	0.1
155.90555	0.1
179.05690	0.1
235.08391	0.1
236.08527	0.1
251.92924	0.1
279.23306	1.9
280.23666	2.0
281.23938	0.9
282.24237	0.2
397.13437	0.9
398.13882	1.1
399.14084	1.5
400.14395	0.7
415.14563	0.1
416.15024	0.3
417.15311	0.4
418.15399	0.2
419.67743	0.1
740.51733	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	740.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03216	0.0
54.82658	0.0
56.47455	0.0
59.01384	1.3
60.01729	0.2
61.01803	0.1
61.98833	100.0
74.58788	0.0
81.03450	0.5
82.03805	0.1
83.05025	1.8
84.05341	0.5
108.04611	0.0
125.07278	0.1
143.08272	0.1
207.15022	0.1
208.15393	0.0
217.85497	0.1
224.17708	0.2
225.16109	0.6
225.18109	0.1
226.16412	0.6
226.18350	0.1
227.16690	0.2
267.62747	0.0
368.27209	0.0
434.32025	0.1
435.32657	0.1
451.33292	0.2
452.33316	0.3
453.33737	0.3
454.33670	0.2
521.90399	0.0
585.66589	0.0
642.29327	0.0
661.49615	0.1
662.50079	0.2
677.49762	0.3
678.50037	1.1
679.50378	3.6
680.50647	5.6
740.49347	2.8
741.49658	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82808	1.5
55.59433	1.2
61.98833	15.9
63.97335	1.2
64.34705	1.1
67.50545	1.2
77.03973	2.4
78.63486	1.2
78.95892	11.6
91.38728	1.1
104.63957	1.1
116.92864	5.5
121.02942	100.0
122.03197	1.4
152.99577	9.3
160.53125	1.3
165.01913	42.2
181.06563	1.6
192.45503	1.2
279.23242	11.5
280.23682	5.3
281.24728	5.9
287.91486	1.6
308.70721	1.4
357.06299	6.8
463.40887	1.5
468.36234	1.5
541.73834	1.5
726.12683	1.5
740.52966	8.8
741.15277	2.8
741.39600	1.5
741.52759	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	741.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81149	0.4
59.01112	0.6
59.01386	13.7
63.22403	0.4
66.62217	0.4
66.82638	0.5
71.01382	83.1
72.99288	0.8
73.02946	3.2
83.01373	0.7
85.02980	3.7
87.00877	2.1
89.01888	0.7
89.02438	18.6
92.11903	0.7
92.68398	0.5
95.01384	0.9
97.02912	0.6
99.00891	0.9
101.02438	16.0
101.97466	0.4
105.30061	0.4
109.49523	0.4
113.02449	8.0
114.93407	11.8
115.00368	100.0
115.03997	8.3
119.03479	7.9
123.00876	0.6
124.01660	0.7
125.02437	9.5
131.03476	3.5
133.03734	0.5
143.03581	0.8
150.67174	0.5
151.50955	0.5
161.04562	5.4
179.05612	20.4
182.06859	0.5
221.06706	7.2
234.44899	0.5
256.24112	0.6
323.09991	2.1
341.10889	2.1
383.12012	3.2
425.13058	2.2
442.60522	0.5
485.15060	5.5
625.20020	27.5
626.21637	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03860	0.3
53.18979	0.3
54.44479	0.3
55.01877	0.8
56.23714	0.3
57.03444	2.6
57.30810	0.3
58.00602	0.8
59.01386	51.8
65.00327	0.9
67.01879	0.8
67.62540	0.3
68.99817	2.1
69.03446	0.9
71.01382	30.8
72.99306	5.4
73.02934	2.3
75.00871	11.0
76.33006	0.4
81.03439	0.5
83.01392	2.1
85.02951	19.6
87.00877	6.8
89.02441	30.3
89.23417	0.3
91.01888	6.0
91.04010	0.5
93.03439	0.6
95.01391	4.8
99.00877	8.0
101.02437	15.8
103.00374	0.7
108.02163	2.9
109.02972	3.4
111.00868	1.8
113.02442	23.3
115.00384	0.8
117.01926	2.6
119.03490	11.3
123.00900	0.7
123.04514	31.8
124.04891	0.5
125.02466	0.7
129.01938	1.8
131.03471	0.6
134.03726	2.0
139.00403	0.5
151.00352	1.6
152.01146	2.8
153.01947	5.8
157.01454	0.6
160.01688	0.7
161.08217	0.4
167.03493	57.7
168.03909	0.7
170.16470	0.4
175.02464	2.0
175.03958	0.8
179.05597	0.7
189.04001	0.5
193.05107	0.5
207.05060	0.4
226.04945	3.0
227.05638	2.6
231.05057	1.8
241.07176	5.9
249.06171	24.4
250.06532	0.5
267.07233	11.1
288.33252	0.6
323.13516	61.7
324.13766	1.8
357.08371	1.7
362.13269	0.4
385.07538	0.8
399.09549	2.3
417.10434	100.0
418.10681	4.4
487.58777	0.5
681.22241	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
56.01898	0.7
56.79399	0.6
58.00595	1.4
59.01384	67.4
61.98816	1.3
69.03451	1.1
71.01373	34.3
71.01751	1.4
72.99301	2.0
73.02947	5.4
75.96154	0.8
78.95905	5.6
83.01393	2.9
85.02945	8.4
87.00854	7.2
89.02435	28.6
93.59130	0.8
95.01389	3.5
96.96915	0.8
97.02944	4.3
99.00880	2.0
101.02437	24.9
111.04501	0.8
111.92645	0.9
113.02431	11.8
119.03483	7.7
121.02951	0.8
125.02381	9.3
139.04044	1.0
141.01711	17.4
143.03525	1.9
152.99573	5.6
161.04572	4.3
179.05649	3.1
221.06686	1.7
235.08232	10.4
279.23291	11.1
280.23630	4.6
281.24802	6.9
282.25140	1.7
283.26428	100.0
284.26764	3.5
287.07639	1.3
305.08841	1.7
374.36752	0.9
397.13516	80.0
398.14032	1.8
399.58023	0.9
415.14575	23.8
681.40906	5.7
712.59314	1.0
740.52411	1.7
741.53607	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	742.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02658	0.1
59.01388	2.7
59.17328	0.1
61.98840	100.0
69.51257	0.2
71.01407	1.6
72.01711	0.2
73.02920	0.2
73.26622	0.2
78.95867	0.6
79.15780	0.2
84.40565	0.2
85.02927	0.2
87.00878	0.3
89.02443	1.5
90.02827	0.1
97.02927	0.3
101.02458	1.3
113.02436	0.7
119.03516	0.3
125.02484	0.2
125.09661	0.2
126.02715	0.2
161.04552	0.2
236.08397	0.2
281.24847	3.1
282.25204	3.4
283.25470	1.6
284.25626	0.4
397.13345	1.1
398.13940	1.5
399.14185	2.0
400.14301	0.7
405.19067	0.1
415.14850	0.3
416.14771	0.2
417.15155	0.4
418.15570	0.2
514.67712	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05708	0.2
59.01376	1.7
63.18784	0.2
71.01372	5.8
72.01713	0.3
72.37691	0.2
72.68620	0.2
73.02944	4.3
77.91311	0.3
85.02920	0.4
87.00856	0.4
89.02432	2.2
99.00880	0.4
99.92585	6.5
101.02430	1.3
113.02438	0.6
115.00364	5.4
115.04004	0.4
116.00654	0.4
116.92849	100.0
117.00826	0.3
117.01138	0.3
117.01920	4.2
117.92863	2.0
119.03506	0.6
125.02438	0.5
161.04546	0.5
179.05617	0.6
185.92676	0.3
221.06673	0.6
364.05420	0.3
626.20868	0.5
627.20502	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	743.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05708	0.2
59.01376	1.7
63.18784	0.2
71.01372	5.8
72.01713	0.3
72.37691	0.2
72.68620	0.2
73.02944	4.3
77.91311	0.3
85.02920	0.4
87.00856	0.4
89.02432	2.2
99.00880	0.4
99.92585	6.5
101.02430	1.3
113.02438	0.6
115.00364	5.4
115.04004	0.4
116.00654	0.4
116.92849	100.0
117.00826	0.3
117.01138	0.3
117.01920	4.2
117.92863	2.0
119.03506	0.6
125.02438	0.5
161.04546	0.5
179.05617	0.6
185.92676	0.3
221.06673	0.6
364.05420	0.3
626.20868	0.5
627.20502	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	743.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.1
61.34571	0.7
62.35301	0.7
71.01371	1.5
71.67032	0.7
85.45280	0.8
89.02424	0.9
93.03441	1.2
101.02456	0.9
116.92863	1.3
117.03446	23.7
121.02958	1.0
145.02953	0.9
160.01711	1.0
160.08876	0.9
161.02464	1.8
173.02396	7.4
173.25783	0.8
175.03922	1.1
185.02415	3.7
187.04005	4.4
189.01936	4.5
197.02452	1.2
203.03496	2.0
214.89183	0.8
215.03502	5.9
217.01430	4.8
245.04546	1.0
271.02597	0.9
305.04581	9.7
306.05380	5.4
307.06180	12.9
335.05615	30.6
338.04266	1.9
347.05249	1.0
365.06567	13.6
374.50281	1.0
399.16370	1.1
425.08829	100.0
455.09915	1.4
466.04120	0.9
545.13049	73.3
546.14099	1.4
602.90448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.1
63.27217	0.7
69.02400	0.8
71.01383	4.2
73.02949	0.9
73.81756	0.9
75.62974	0.7
85.02935	0.9
85.72832	0.8
86.14241	0.8
89.02443	1.9
93.03449	1.2
99.05703	0.8
99.97795	0.9
116.92739	1.6
117.03449	27.5
119.77260	0.9
131.04974	1.1
134.03671	1.3
137.09702	3.6
149.02438	1.9
160.01660	1.6
161.02452	1.5
173.02444	7.3
175.03992	1.2
185.02466	5.2
187.04057	5.0
189.01988	5.9
190.02655	1.7
193.05080	1.5
197.02461	2.2
205.05209	1.7
215.03523	5.9
217.01503	4.7
239.12949	2.0
293.04678	1.8
305.04675	10.5
306.05411	5.8
307.06155	14.1
317.04568	0.9
335.05655	30.2
338.04422	1.8
347.05548	1.3
365.06665	9.1
401.18216	14.7
425.08835	100.0
426.09256	4.0
455.09790	1.9
545.13086	63.9
546.13507	1.6
608.64447	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92936	0.9
57.50242	0.9
59.27893	1.0
63.53021	1.0
66.95441	1.0
71.48796	1.3
78.95895	7.3
92.11707	2.3
101.75008	1.2
110.98512	5.3
141.40965	1.4
151.62592	1.1
152.99556	1.6
167.01086	2.5
175.53555	1.2
185.02161	1.7
213.85265	1.3
277.21713	1.7
279.23291	100.0
280.23608	2.4
334.45654	1.3
341.06329	1.3
375.86310	1.3
415.71783	1.2
447.25180	36.7
448.25641	1.9
771.56506	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	745.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.4
59.73236	1.4
61.98837	2.1
71.01378	9.4
84.17874	1.6
85.02940	2.2
89.72254	1.9
92.12403	3.7
93.03394	1.7
101.02387	1.8
111.00786	1.8
113.02444	2.8
116.92937	1.7
121.02911	16.4
123.00883	9.4
127.00332	1.7
128.65630	1.6
136.01627	3.1
137.02444	18.7
139.00420	2.2
139.04059	2.1
147.04506	10.0
149.02452	3.9
150.03171	15.7
151.03995	18.8
153.04459	2.0
153.05566	12.6
158.03789	2.4
159.04507	20.0
160.05296	46.8
161.06035	14.6
163.04027	9.0
163.56747	1.9
164.04770	9.2
165.05559	4.1
166.99846	3.8
173.06039	2.2
175.07634	31.0
177.05557	15.8
178.06374	8.2
181.01433	7.8
182.02168	16.9
183.02998	11.5
195.06674	2.1
197.04544	38.2
225.04004	1.9
314.11316	2.3
326.06421	9.8
328.06531	2.0
337.14270	2.0
341.08807	100.0
342.09308	1.8
359.15073	32.7
463.38354	1.8
527.14496	2.0
701.24677	19.8
745.23364	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	746.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02995	4.1
61.98845	3.8
63.99374	2.7
74.00724	2.7
74.02468	14.2
74.99083	2.5
78.95893	5.4
79.05000	2.6
81.04617	3.0
82.02986	5.2
86.02439	5.0
97.04060	22.8
99.05639	13.0
100.00375	10.2
102.00166	5.1
105.99689	13.1
109.04070	3.3
113.03518	2.8
116.92929	3.2
120.34649	2.9
128.03525	88.3
131.02881	3.2
135.05652	5.3
137.09998	3.1
143.04561	38.0
153.06723	5.0
155.01736	14.1
160.00771	6.6
169.06163	4.7
175.01768	21.6
179.04631	18.1
197.05630	3.6
207.13844	3.8
210.08795	4.0
226.08423	3.7
244.55121	2.9
254.07890	11.9
272.08783	27.6
286.05212	3.7
304.06094	100.0
366.41806	3.0
746.38007	6.2
763.30444	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	748.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43904	1.7
59.01386	32.8
62.94216	1.8
69.17235	1.9
71.01367	18.3
84.94792	1.9
89.02441	18.1
101.02431	9.9
113.02423	3.0
119.03501	4.9
141.53423	2.2
152.29384	2.4
179.05533	4.0
191.76065	2.1
225.22212	8.1
245.42618	2.2
324.29456	2.2
527.71490	2.2
532.47491	17.2
542.01868	2.7
550.48553	3.2
601.16833	2.3
609.73456	2.8
712.53778	100.0
713.54602	8.6
748.51245	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48779	0.7
57.03463	86.6
59.01393	100.0
71.01385	14.5
73.02949	5.2
83.01385	5.0
85.02958	9.7
89.02438	1.5
95.01375	1.5
99.04514	31.0
101.02435	22.9
113.02430	9.4
125.02454	5.9
143.03638	0.8
161.04512	1.7
175.07764	0.7
213.18620	1.9
357.26523	1.9
483.29514	6.7
501.30801	26.1
502.30844	1.2
519.31744	11.8
543.31775	8.8
561.32782	24.2
562.33154	1.2
603.33978	3.3
644.12817	1.0
663.35669	1.0
705.37061	67.5
706.37390	6.5
771.85193	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60793	1.2
57.02528	1.2
57.03461	100.0
59.01393	91.3
64.34750	1.4
66.33524	1.3
66.93273	1.5
70.97504	1.7
71.01378	7.5
83.01387	1.7
89.32113	1.7
96.05123	1.5
99.04513	40.0
101.02441	18.8
113.02445	2.7
114.39532	1.4
116.29243	1.5
122.62038	1.5
125.02453	7.1
199.23781	1.7
272.47757	1.8
441.28854	2.1
501.30490	14.8
519.31854	10.3
528.39557	1.9
543.32050	7.8
561.32556	19.0
603.33557	3.1
705.37030	36.3
706.37756	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	751.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.0
57.03452	90.0
59.01383	100.0
71.01379	13.1
73.02941	4.9
75.30524	0.6
83.01394	4.9
85.02949	8.6
87.00903	0.8
89.02426	1.2
92.65898	0.7
95.01384	2.8
99.00856	1.1
99.04506	31.2
101.02431	22.5
113.02444	11.7
119.03481	0.7
124.68474	0.7
125.02409	5.5
137.09738	0.9
158.71643	0.8
161.04562	1.7
161.14932	0.8
185.15477	0.8
297.79800	0.8
306.53418	0.8
341.17303	0.9
359.28232	3.3
485.31024	6.1
503.32312	26.8
504.32355	1.1
513.60193	0.7
521.33264	9.6
545.33356	9.1
563.34430	18.4
605.35565	1.1
645.39911	0.9
665.37384	1.3
707.38641	82.9
708.38873	4.3
771.42950	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82700	0.1
55.68655	0.1
58.90520	0.1
59.01397	0.4
73.02958	0.2
77.78408	0.1
78.95911	2.0
94.39827	0.1
99.92579	12.0
100.92599	0.3
114.93413	0.6
116.92856	100.0
117.01917	0.8
117.05593	0.2
117.92857	2.3
152.99599	1.4
169.34177	0.1
171.10387	0.1
277.21716	0.4
279.23386	1.2
280.23630	0.3
293.21362	0.2
294.21619	0.2
358.39709	0.1
681.92999	0.1
752.48755	1.5
753.49188	1.6
765.75208	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	2.1
71.01378	1.3
72.99313	2.1
73.02937	0.2
75.00874	100.0
76.01196	0.3
76.07146	0.2
87.00857	0.3
87.16457	0.2
89.02463	1.3
97.02927	0.3
101.02448	0.5
113.02457	0.5
119.03490	0.4
125.02464	0.3
179.05643	0.3
226.41830	0.2
235.08237	1.0
279.23312	5.4
319.84979	0.3
328.89459	0.3
354.46365	0.3
397.13522	6.4
415.14642	2.1
466.39633	0.2
467.39020	0.2
557.30634	0.3
662.40021	0.3
677.38586	0.3
719.72943	0.2
761.62701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.4
61.98835	0.8
71.01373	0.8
72.99298	2.0
73.98563	0.3
75.00866	100.0
89.02415	1.4
101.02475	0.4
116.92843	0.6
125.02396	0.5
134.82565	0.4
151.85905	0.4
161.19679	0.4
186.47157	0.4
223.30724	0.3
235.08163	0.4
279.23358	3.8
321.91846	0.4
397.13452	6.1
415.14844	1.5
421.82275	0.4
698.75433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82084	1.0
57.03456	1.0
59.01105	1.3
59.01382	23.6
60.08778	0.8
61.98811	1.6
71.01373	9.3
73.02942	1.4
75.30737	1.0
82.76423	1.0
85.02956	2.0
87.00883	2.3
88.84541	1.0
89.02438	14.0
97.02943	1.2
101.02430	9.7
110.23672	1.0
113.02447	6.4
116.41828	1.1
117.74280	0.9
119.03484	1.6
124.61291	1.1
125.02467	1.5
131.02139	1.1
171.10225	5.0
195.13893	16.1
235.08427	1.2
277.21729	22.8
295.22803	100.0
296.23178	4.7
397.13470	22.9
415.14429	19.3
693.37042	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	753.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04881	0.2
72.99303	1.5
75.00870	100.0
76.01205	0.3
76.49024	0.2
83.05025	0.4
86.01259	0.2
100.78457	0.2
143.09850	0.2
153.24345	0.2
164.15526	0.2
225.16071	0.4
242.18832	0.2
283.68881	0.2
451.33533	0.3
677.49915	6.8
678.50085	0.9
679.51111	0.3
701.66125	0.3
753.50909	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	754.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39302	0.3
57.10166	0.3
59.01393	1.2
67.24749	0.3
68.88643	0.3
69.97958	0.4
71.01375	0.3
78.95909	56.7
79.67937	0.3
90.71987	0.3
96.96961	5.0
97.06606	0.4
113.09735	1.7
120.10265	0.4
121.62367	0.3
141.70158	0.4
150.98021	0.7
152.99594	47.4
171.00661	1.3
171.05139	0.3
171.10280	8.7
179.14407	0.4
183.13896	0.8
195.13911	14.5
277.21744	23.8
279.23303	58.5
280.23587	2.3
295.22800	48.7
296.23077	0.7
379.15860	0.4
402.24121	0.4
431.22220	0.4
436.75259	0.4
458.26596	0.8
474.26187	2.5
476.27634	0.6
602.89185	0.4
622.57648	0.4
754.50342	100.0
755.50903	6.9
777.37878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71519	0.9
57.03449	0.9
57.21823	0.9
59.01363	1.2
61.22181	0.9
78.95914	53.2
92.11793	1.1
96.96951	5.8
99.62918	0.9
113.09711	1.5
116.92823	1.7
150.97998	1.0
152.99597	48.8
171.10262	8.4
183.13965	2.2
195.13928	6.4
277.21732	16.4
278.43106	1.0
279.23306	59.1
280.23514	2.2
281.24869	4.7
293.21298	4.1
295.22812	35.5
320.48441	0.9
754.50366	100.0
755.50677	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	754.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06911	0.3
53.95360	0.3
57.03454	0.4
59.01378	0.6
63.15804	0.4
65.49200	0.3
78.95895	47.0
91.92010	0.3
96.96945	3.9
104.20894	0.4
113.09701	0.9
124.08444	0.3
141.12836	0.5
150.98038	0.6
151.11411	0.4
152.99576	43.1
171.00629	0.9
171.10280	6.4
177.12727	0.5
179.14398	0.8
183.13829	1.3
195.13911	15.9
277.21716	25.0
278.21976	1.4
279.23294	47.8
280.23660	2.3
295.22784	60.5
296.23022	2.3
402.23978	0.4
458.26794	2.0
474.26251	1.7
677.80176	0.4
754.50287	100.0
755.50543	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	755.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
60.61232	0.1
71.01375	0.3
77.00687	0.2
84.37511	0.2
89.02396	0.2
99.92576	7.2
101.02426	0.3
113.02410	0.3
114.93420	0.4
116.92847	100.0
117.92842	2.0
137.02422	0.2
137.09706	0.7
151.65796	0.2
223.06102	0.3
232.01266	0.2
236.62889	0.2
239.12935	1.1
284.03412	0.2
299.05688	0.2
329.06607	0.4
338.45569	0.2
424.92154	0.2
585.70660	0.2
588.70221	0.2
701.45026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93186	1.3
66.39032	1.5
78.95898	52.8
96.96970	2.5
106.93124	1.4
113.09724	1.8
116.92866	2.4
126.99358	1.5
152.99576	46.4
171.10268	9.2
195.13905	15.4
248.69086	1.9
255.23260	6.3
256.23706	1.8
277.21701	20.1
279.23370	21.4
280.23770	3.2
281.24884	36.8
295.22800	48.7
296.22986	2.1
297.24380	2.3
756.51733	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	757.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66181	0.3
57.03458	4.3
59.01376	0.3
67.01897	0.6
67.68770	0.3
71.01379	0.4
72.99318	0.4
85.02943	21.5
87.00869	35.2
99.04543	0.6
101.02438	0.8
101.35728	0.3
103.04043	0.3
111.00877	100.0
112.01247	0.4
117.01944	0.6
129.01944	6.7
130.99823	1.4
135.89915	0.3
142.05045	0.4
150.04204	0.3
154.99910	1.4
158.00708	0.4
161.04587	2.8
173.00900	6.1
191.01981	96.7
192.02365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
57.03451	2.8
59.01385	13.9
59.70008	0.2
60.39941	0.2
62.43349	0.2
63.51275	0.2
63.78442	0.2
64.17577	0.2
67.01889	0.9
68.99817	2.3
69.03445	1.2
71.00979	0.5
71.01379	13.7
72.99308	3.6
73.02945	1.4
75.00869	14.9
81.03472	0.8
83.01383	1.1
83.05022	0.3
84.02164	0.4
85.02948	17.2
87.00862	4.9
89.02438	3.9
91.03995	0.4
92.11739	0.5
93.03465	1.6
95.01378	4.7
97.02926	0.9
99.00874	9.7
101.02393	0.5
103.00360	1.7
108.02143	0.5
109.02940	0.9
111.00887	1.1
111.04556	0.3
113.02445	18.1
115.00349	1.8
115.03981	0.3
116.58661	0.2
117.01943	2.9
121.02947	86.7
122.03294	1.0
129.01924	1.9
137.02432	0.3
149.24001	0.3
157.01369	0.2
163.10207	0.2
175.02519	1.7
189.04034	1.0
231.05109	4.9
249.06165	42.7
250.06584	0.9
283.64828	0.2
289.35638	0.3
353.08917	0.4
371.09872	100.0
372.10281	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	759.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90660	0.5
59.01378	6.6
60.23500	0.6
71.01377	27.5
72.99303	5.5
76.09530	0.5
79.07208	0.5
87.00886	0.8
87.04520	2.6
88.04012	3.0
89.02428	7.1
94.47754	0.7
101.02418	3.2
113.02443	1.0
115.00365	68.7
119.03486	0.8
131.03474	2.6
132.03003	4.2
133.01424	100.0
138.79156	0.6
160.58534	0.6
213.13153	0.6
234.36632	0.8
295.10339	11.1
318.29767	0.8
330.38702	0.7
613.04053	0.6
778.44495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95915	1.7
82.95409	100.0
83.02502	1.3
84.89680	0.2
84.95675	0.2
90.68110	0.3
93.51978	0.2
103.24126	0.2
116.92841	0.3
148.51100	0.2
507.55841	0.3
552.57990	0.2
689.35065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46084	0.4
54.82684	0.3
59.01376	2.1
69.23134	0.3
71.01360	0.4
71.08997	0.4
82.95393	0.4
84.95126	7.0
85.00433	0.4
87.00871	100.0
88.00416	0.4
89.02436	0.4
100.28810	0.4
101.02429	0.5
120.04305	0.4
182.89137	0.4
187.81107	0.3
190.22661	0.4
193.86792	0.3
230.77135	0.3
279.23135	3.1
329.23480	0.4
397.13434	3.2
415.14822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
61.71087	0.3
83.05037	0.6
84.95115	5.2
85.02953	0.8
87.00867	100.0
88.00391	1.9
98.62811	0.4
120.30164	0.4
129.02000	0.5
132.79965	0.4
146.93625	0.4
195.12813	0.4
214.28645	0.4
225.15999	0.6
241.36139	0.4
254.15570	0.4
272.72543	0.4
372.39816	0.5
570.50061	0.5
648.19684	0.5
677.49164	3.0
765.51459	1.9
771.24957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17202	0.1
78.95896	8.8
81.16871	0.1
92.12350	0.3
92.56945	0.1
97.06538	0.5
99.08142	5.1
99.53097	0.1
106.99385	0.1
112.92318	0.1
113.09724	0.8
138.60991	0.2
146.70514	0.1
152.99586	1.7
153.12865	0.2
155.14409	5.6
168.04311	1.7
168.84947	0.2
169.15984	0.8
224.06960	4.4
225.22255	7.7
235.20715	0.7
242.07997	0.8
251.20206	0.2
253.21751	0.9
255.23303	51.5
256.23657	1.6
269.21225	1.8
271.22791	100.0
272.23120	3.0
480.30966	37.6
481.31329	1.7
707.49554	0.2
717.80890	0.2
766.56506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46828	0.4
54.82611	0.6
55.45041	0.4
57.03432	0.8
58.00599	0.8
58.50373	0.5
59.01383	25.9
60.70063	0.4
70.23299	0.5
71.01380	16.0
71.97945	0.5
72.99300	1.1
73.02911	0.9
75.00854	0.6
77.30430	0.5
83.01373	2.5
83.05032	1.3
85.02935	5.4
87.00893	1.1
89.02437	9.0
95.01382	0.9
99.00886	0.7
101.02440	10.5
101.06054	3.1
107.05023	0.8
109.06571	0.9
113.02431	7.9
119.03490	3.0
122.03703	0.8
124.05274	3.0
125.06080	1.0
133.06551	1.3
137.02405	0.8
137.06017	1.1
138.03215	0.6
138.06848	7.3
139.07634	17.6
151.07675	5.7
169.20172	0.6
173.09720	0.9
175.07639	4.1
180.35446	0.5
191.10774	35.3
192.11105	0.8
351.12881	0.9
353.13187	0.8
415.16125	100.0
416.16388	4.6
545.18915	0.6
661.14240	0.6
767.26416	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	767.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
57.03437	2.4
58.00598	1.6
59.01384	100.0
63.12001	1.1
64.94147	1.0
67.42441	0.9
71.01379	74.0
72.99303	1.6
73.02940	38.8
83.01360	10.1
85.02949	35.0
87.00869	6.6
89.02438	48.4
95.01379	9.4
95.97660	1.0
96.96000	1.8
97.02929	1.7
99.00876	28.0
101.02435	45.6
113.02444	49.0
119.03477	15.1
125.02483	1.4
130.08740	2.0
131.03470	2.1
137.09718	5.0
143.03497	2.7
149.04509	2.4
159.02863	1.4
161.04543	9.2
164.63164	1.1
164.91644	1.1
179.05669	1.5
189.12810	6.1
191.05661	1.7
207.13940	1.9
220.13919	1.3
291.22763	1.1
328.60135	1.2
406.99530	1.4
501.23209	4.6
531.24146	4.4
549.25549	7.4
591.26593	2.2
663.28796	70.6
663.40253	2.5
681.29797	34.6
723.31000	65.1
724.31439	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	769.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37357	0.2
59.01389	1.2
65.17271	0.2
69.12343	0.2
71.01397	0.5
76.19196	0.2
81.80248	0.2
91.93581	0.2
93.03442	2.4
117.03452	23.3
119.05039	0.4
121.02971	0.4
131.05042	0.3
133.02974	0.3
135.04462	0.2
145.02989	0.5
147.04550	0.4
149.02454	2.6
159.04517	0.4
161.02431	2.7
163.04018	1.1
164.04807	1.1
173.02414	8.6
173.03891	0.4
175.00363	0.3
175.03999	1.1
177.05562	0.4
185.02422	5.3
187.03989	4.3
188.01169	0.4
189.01929	5.1
189.09009	0.2
191.03485	0.2
197.02431	2.1
201.02074	0.2
203.03490	1.7
215.03487	4.0
217.01434	4.8
223.06058	0.3
227.03580	1.1
233.06180	0.3
234.06883	0.3
235.07683	0.5
241.01460	1.1
243.02985	0.3
245.04512	0.8
251.07120	0.3
255.02866	0.3
257.04590	0.2
261.05609	0.9
263.07336	1.4
267.03043	0.3
271.02536	1.2
277.04971	0.3
278.05756	0.5
279.06628	1.1
283.06110	0.4
284.03241	6.9
289.05170	0.5
291.06650	0.3
293.04553	1.6
295.06137	0.3
297.07666	0.9
299.05627	8.0
305.04568	11.4
306.05353	6.8
307.06131	15.0
308.06485	0.8
309.04239	0.2
309.07614	1.1
311.05685	0.3
317.04456	1.8
319.06049	0.3
321.04181	0.5
321.07617	0.4
323.05737	1.6
333.04028	0.3
335.05646	31.5
336.06064	1.3
337.07224	1.0
338.04312	1.7
347.05679	0.9
349.07324	0.3
353.06534	1.7
365.06686	14.9
366.07047	0.5
377.06601	0.9
383.07599	1.5
393.27274	0.2
395.07782	1.5
407.07654	0.3
419.07202	0.3
425.08835	100.0
426.09058	5.1
455.09802	2.7
506.47720	0.2
545.13068	66.4
546.13373	3.2
563.13940	2.8
611.15753	0.2
635.19818	0.2
769.20880	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.9
59.41772	0.2
69.48278	0.1
71.01378	0.7
73.69489	0.1
77.94260	0.1
89.02415	0.2
93.03449	2.1
101.02455	0.2
104.90428	0.1
117.03445	23.2
119.05037	0.3
121.02957	0.6
131.04993	0.3
133.02953	0.2
135.04524	0.8
145.02968	1.0
147.04536	0.2
149.02435	2.0
159.04488	0.3
161.02415	2.6
163.04004	1.0
164.04779	0.7
171.04601	0.2
173.02423	7.6
175.00328	0.3
175.04164	0.2
177.05562	0.9
185.02434	4.5
187.04018	3.8
188.01062	0.2
189.01924	4.9
189.05498	0.2
190.02394	0.2
197.02475	1.8
197.04088	0.2
201.01927	1.0
203.03513	1.0
213.01994	0.2
215.03508	4.6
217.01411	4.5
223.06009	0.3
227.03563	0.8
233.06107	0.2
234.06779	0.2
235.07625	0.4
241.01370	0.8
243.03050	0.2
245.04536	0.3
248.04884	0.2
249.05428	0.2
251.07106	0.6
261.05573	0.9
262.06421	0.3
263.03683	0.2
263.07031	1.4
264.04340	0.2
265.05075	0.2
267.03076	0.3
271.02670	0.2
277.05106	0.2
278.05762	0.2
279.06558	0.8
282.05273	0.2
283.06097	0.3
288.04218	0.2
289.05038	0.7
291.06604	0.3
293.04572	2.5
295.06186	0.7
296.06973	0.2
297.07706	0.7
305.04568	9.4
306.05319	5.5
306.82986	0.2
307.06143	13.6
308.06711	0.6
309.07690	0.9
311.05609	0.4
317.04596	1.6
319.06213	0.6
321.04248	0.3
323.05594	1.3
325.07050	0.3
335.05643	24.3
336.06003	0.9
337.07169	0.7
338.04303	2.0
347.05838	1.1
349.07190	0.3
353.06775	1.7
361.07120	0.2
365.06680	11.0
366.06982	0.2
367.08517	0.2
377.06805	0.8
383.07700	1.0
395.07684	1.7
407.07712	0.9
425.08813	100.0
426.09128	5.0
455.09900	2.6
545.13043	58.4
546.13330	3.1
563.13947	2.0
769.20526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.7
59.01378	5.0
71.01387	2.6
81.00054	0.7
89.02418	0.7
93.03465	1.5
107.56307	0.6
116.92857	1.1
117.03459	20.9
140.94115	0.6
149.02446	3.7
153.44528	0.8
161.02448	2.6
171.56621	0.7
173.02408	6.3
185.02402	4.4
187.03987	3.5
189.01964	5.6
194.28174	0.7
197.02554	1.4
203.03482	2.7
215.03491	4.7
217.01355	5.5
234.74174	0.7
249.05460	0.7
261.05685	0.9
263.07239	1.1
277.05157	1.1
293.04575	1.1
295.06165	0.9
297.07635	0.9
305.04507	9.3
306.05380	6.3
307.06137	14.9
323.05576	1.2
335.05664	28.6
337.07208	1.1
338.04266	2.3
353.06683	3.4
365.06693	11.3
383.07898	2.7
425.08817	100.0
426.09131	3.6
439.17252	0.7
439.41046	0.7
455.09610	1.5
479.90073	0.7
545.13043	74.1
546.13251	1.6
563.14050	4.4
725.39722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.3
57.03454	32.2
58.00586	2.1
59.01387	99.1
59.01689	4.0
62.20715	1.4
64.78574	1.7
66.08257	1.5
67.00597	1.6
69.03463	2.6
71.01381	100.0
72.99303	6.7
73.02945	26.6
75.00856	9.1
81.03441	6.6
83.01383	9.6
85.02957	33.4
87.00430	1.7
87.00858	16.0
89.02441	92.3
91.01876	3.0
95.01374	9.7
96.96027	5.7
97.02930	12.4
99.00875	10.9
99.04501	8.5
101.02439	77.7
108.02173	2.2
109.02967	3.2
111.00871	2.8
113.02449	58.7
119.03487	29.9
123.00908	20.7
123.04505	21.9
124.01682	14.4
125.02444	59.8
131.03490	11.9
138.03241	9.1
139.04001	8.8
143.03511	8.5
149.02406	2.4
150.03246	1.6
153.01994	3.9
159.02953	2.3
161.04579	25.5
166.63293	1.6
167.03506	46.7
179.05615	33.8
180.14145	1.6
193.66556	1.6
207.54846	1.5
221.06693	24.4
241.07193	3.2
249.06177	16.8
254.94244	1.7
267.07208	6.6
293.12573	1.8
323.09790	2.0
383.12061	3.3
417.10410	69.6
425.13306	3.3
467.14017	4.0
485.15262	16.9
606.98676	1.9
607.18817	29.4
625.20020	87.2
626.20654	2.4
667.21143	13.6
769.24683	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	769.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.2
57.03227	1.9
57.03462	33.5
59.01394	100.0
64.08158	1.5
68.99763	1.6
69.03450	2.5
71.01394	78.8
72.99280	1.9
73.02953	41.9
81.03449	3.9
81.71460	1.6
83.01379	9.4
85.02964	24.5
87.00883	12.6
89.02448	51.7
95.01364	6.5
97.02943	12.6
99.00898	3.1
99.04517	9.5
101.02441	87.0
113.02448	43.2
115.85041	1.8
119.03487	21.9
121.02917	1.6
123.00867	10.9
123.04538	3.8
124.01653	9.4
125.02435	50.7
131.03499	16.5
137.04254	1.5
138.03223	3.7
139.03975	2.6
143.03500	8.5
147.43745	1.7
149.04584	2.6
159.02921	2.5
161.02461	3.3
161.04526	21.5
179.05650	23.2
181.05080	2.0
203.05602	7.0
221.06723	22.5
263.07645	3.0
383.11966	2.9
485.14905	9.2
548.89093	1.7
607.18909	17.8
625.19995	58.3
667.21155	9.5
707.23877	2.0
769.24298	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.9
58.67576	1.1
59.01385	18.4
71.01382	90.4
73.02966	2.7
83.01349	1.8
84.24619	1.2
85.02946	6.5
86.12498	1.2
87.00879	4.8
89.02444	21.8
97.02898	1.2
97.93089	1.7
101.02445	21.5
101.15411	1.3
111.00872	6.5
113.02432	8.7
114.93393	16.1
115.00366	100.0
119.02784	1.2
119.03470	9.5
125.02447	11.0
131.03517	2.3
143.03455	1.1
161.04572	6.8
179.05603	24.3
191.01982	1.5
215.41580	1.2
221.06619	9.6
283.23126	1.3
323.09634	2.0
383.12119	3.1
391.72263	1.3
404.52625	1.3
485.15204	5.0
533.61017	1.3
631.12616	1.4
653.90320	1.3
655.20972	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	771.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03458	3.9
58.00590	0.6
59.01382	20.9
66.62611	0.3
67.01902	0.6
68.99802	1.5
69.03444	1.9
71.01379	24.1
72.99308	6.0
73.02937	1.5
75.00866	18.1
80.89922	0.4
81.03500	0.5
83.01377	1.9
85.02945	28.6
87.00863	9.9
89.02435	9.3
91.03992	0.9
91.05524	19.4
91.06083	0.8
92.12424	1.0
93.03459	1.4
95.01388	6.9
99.00870	14.1
99.84898	0.4
101.02429	1.6
103.00356	2.8
107.98774	0.4
109.02951	0.4
111.00858	0.8
113.02442	37.1
115.00394	2.6
117.01938	4.5
117.03453	4.8
127.03941	0.6
129.01895	3.3
131.03462	0.4
135.04517	9.5
139.00383	0.5
143.20380	0.3
149.04489	0.4
157.01395	1.6
162.92400	0.3
175.02475	2.7
175.03821	0.4
175.72554	0.3
181.07315	0.3
189.04060	0.6
205.07173	1.7
207.05115	2.1
223.08224	0.5
231.05164	1.7
249.06155	28.7
250.06522	0.5
267.07211	72.3
268.07635	0.6
340.48291	0.4
385.11417	100.0
386.11804	3.1
397.19843	0.4
659.85486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.1
67.88657	0.1
70.44684	0.1
72.23848	0.1
73.02934	0.6
74.84114	0.1
99.00832	0.1
99.92574	7.3
100.92570	0.2
114.93407	0.5
116.03600	0.1
116.92849	100.0
116.97243	0.8
117.01910	0.7
117.92012	0.1
117.92853	3.1
117.93665	0.1
222.92870	0.1
231.43361	0.1
239.83699	0.1
313.18958	0.1
325.93869	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	772.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94561	0.8
58.00589	1.5
59.01386	74.7
60.22749	0.8
61.02068	0.7
61.98823	0.8
71.01385	32.6
72.99305	2.1
83.01405	1.1
85.02941	6.9
86.06127	1.0
86.37260	0.8
89.02443	33.8
95.01370	1.4
101.02450	19.0
113.02455	10.2
119.03480	13.3
122.52115	0.9
126.11779	0.8
143.03522	1.3
152.99503	0.9
161.04591	1.2
179.05576	7.8
222.29269	0.9
223.20520	1.0
225.22292	17.8
253.21712	1.3
255.23225	3.1
271.22858	4.8
278.24954	4.5
296.25888	4.2
323.15222	0.9
359.28525	1.0
532.47345	27.5
550.48309	10.1
618.48853	1.0
712.53778	100.0
713.54144	7.0
714.02386	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.4
57.78376	1.0
58.00595	1.3
59.01102	2.3
59.01385	52.6
59.01687	1.7
59.79844	1.1
69.03450	1.5
71.01380	100.0
71.05013	1.4
72.99306	24.7
73.02955	10.5
83.01398	5.1
85.02943	13.3
87.00874	29.1
88.92083	1.3
89.02437	54.2
90.21310	1.1
95.01361	1.2
97.02920	1.8
99.00903	2.2
101.02431	45.4
102.05621	8.0
113.02448	26.0
115.00359	10.3
119.03487	23.6
123.00865	2.3
125.02419	27.8
128.03438	4.2
129.01962	4.9
131.03497	5.6
138.10776	1.3
143.03479	5.8
146.04608	3.1
146.08257	2.2
147.02983	18.0
147.06647	5.9
148.66962	1.2
149.04504	1.5
161.04564	12.2
168.43857	1.3
179.05602	40.8
183.73372	1.4
221.06668	18.6
254.58702	1.3
323.09967	2.7
341.10538	2.0
353.38678	1.4
383.12036	7.1
407.11737	1.5
414.69183	1.4
425.13232	2.6
485.15079	10.3
625.19995	59.2
626.19867	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	775.5335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08594	0.9
61.98831	100.0
90.84035	1.1
92.11845	1.7
119.76141	1.0
145.03767	1.0
251.34085	1.2
291.13824	1.0
293.42365	1.2
434.69684	1.1
600.98541	1.1
648.28833	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.1
59.06355	0.1
60.63958	0.1
75.86438	0.1
78.95901	43.3
87.95226	0.1
89.02446	0.2
92.65646	0.1
96.96068	5.4
96.96955	100.0
108.36525	0.1
145.91791	0.1
151.89250	0.1
162.60939	0.1
212.17207	0.1
277.03162	0.2
281.27216	0.1
295.56909	0.1
439.08621	25.1
440.08951	0.5
694.81268	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	785.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
74.81120	0.2
75.13892	0.2
78.95935	0.2
91.01881	0.3
92.11705	0.4
101.63341	0.2
116.92835	0.4
120.02151	0.4
121.02943	100.0
122.03243	1.5
125.88377	0.2
136.01631	0.4
165.01906	1.6
180.05727	0.4
181.06540	2.7
191.03532	1.5
197.06190	0.3
209.04564	39.6
210.04922	0.8
225.05533	2.7
254.27583	0.2
313.07208	4.7
357.06171	1.0
401.08798	7.8
524.42377	0.2
549.10608	0.3
620.44122	0.4
656.41296	0.2
762.30286	0.3
785.17023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.2
59.13417	0.2
78.95896	5.3
99.08149	0.4
125.09682	1.6
127.11308	0.4
139.57831	0.2
141.12869	0.5
152.99577	1.7
155.10902	0.3
159.56090	0.3
168.04283	1.3
171.10258	31.7
183.10272	2.7
195.13901	1.5
224.06995	1.0
233.22801	0.4
242.08057	1.4
251.23856	0.2
255.23306	98.3
256.23636	2.6
267.01285	0.3
277.21725	43.1
278.22110	1.2
279.23358	0.9
295.22794	100.0
296.23117	3.2
480.30978	37.6
481.31461	1.4
637.87085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
64.75329	0.1
73.02944	0.4
75.80860	0.1
76.87321	0.1
78.95892	0.1
86.39332	0.1
92.11724	0.2
99.00869	0.1
99.92572	6.9
114.93394	0.6
116.92850	100.0
116.97211	1.4
117.01959	0.7
117.92844	2.0
174.72366	0.1
223.07109	0.1
327.46548	0.1
335.17661	0.2
357.17358	0.1
357.22000	0.1
585.81158	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.2
59.62704	0.1
73.02946	0.2
74.76827	0.1
75.22793	0.1
80.86127	0.1
87.03101	0.1
99.00915	0.2
99.92574	6.9
101.22765	0.1
111.44201	0.1
114.93395	0.7
116.92850	100.0
116.97218	2.5
117.01926	0.7
117.92858	2.1
178.91312	0.1
205.18921	0.1
353.35629	0.1
428.33054	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.1
73.02931	0.5
92.92904	0.1
99.00858	0.3
99.92570	7.6
100.92594	0.2
114.93406	0.6
116.92844	100.0
116.97234	0.7
117.01920	0.7
117.06298	0.1
117.92856	2.1
146.45212	0.1
191.10345	0.1
215.53854	0.1
279.23126	0.1
321.06320	0.1
337.19125	0.1
364.68973	0.1
454.21454	0.1
455.05350	0.1
455.73911	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	796.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
58.00594	2.5
59.01384	68.6
71.01379	72.3
72.99297	2.9
73.02943	7.2
75.00849	1.1
78.95876	0.6
81.03458	0.6
83.01386	3.9
85.02940	13.2
87.00861	7.9
89.02435	100.0
95.01372	3.3
97.02942	3.3
99.00874	0.8
101.02431	44.8
111.00868	3.5
113.02439	32.8
115.00383	0.7
119.03481	8.6
125.02430	5.2
128.03580	1.3
129.01950	5.9
130.05118	0.9
130.08723	51.4
131.03525	5.4
141.01932	1.2
143.03496	7.8
148.96902	0.6
149.04555	3.8
161.04561	11.1
179.05612	34.9
179.07185	1.1
191.02014	0.8
202.10837	6.1
221.06676	26.5
227.19626	0.5
280.02359	0.6
281.08707	0.8
292.13995	3.5
294.87360	0.6
305.74094	0.7
323.10001	2.7
341.10904	3.5
383.12094	4.3
485.15179	1.2
503.16714	2.1
665.21527	91.6
666.21857	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	797.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58816	0.1
59.01365	0.1
60.27679	0.1
64.87024	0.1
73.02933	0.7
78.80262	0.1
78.95862	0.1
86.25833	0.1
90.39719	0.1
92.92824	0.2
94.48100	0.1
99.00814	0.1
99.92567	6.7
101.89067	0.1
114.93393	0.6
116.92846	100.0
116.97203	2.3
117.01915	1.1
117.92851	1.8
144.78036	0.1
281.24942	0.1
339.20688	0.2
455.05045	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	798.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23351	0.5
57.03465	0.5
59.01387	36.6
71.01382	18.1
72.99313	2.9
73.02950	0.8
75.00869	0.4
83.01402	2.2
85.02943	4.9
85.06592	12.2
86.34155	0.5
87.00887	1.2
89.02438	24.1
92.11664	1.7
95.01376	1.8
101.02431	14.7
108.04562	3.2
113.02455	8.6
113.06101	4.6
115.07653	0.8
118.02972	2.1
118.78563	0.6
119.03491	9.5
131.07133	56.0
134.02478	94.9
143.03540	1.1
161.04591	0.7
162.01978	15.4
173.08208	1.1
179.05688	2.0
180.03030	0.7
207.95322	0.7
221.06665	0.8
293.12469	100.0
294.12857	2.6
295.33237	0.5
308.99731	0.5
340.80002	0.5
504.13733	25.2
524.10352	0.6
620.54755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29281	0.1
59.01369	0.8
63.02403	0.2
64.03226	0.2
71.01370	0.4
73.02943	0.2
85.02914	0.2
89.02447	0.2
99.00833	0.2
101.02406	0.2
107.86844	0.1
116.92860	0.6
142.34535	0.2
149.68477	0.2
214.63538	0.1
227.03516	0.2
237.80330	0.1
243.03011	0.9
268.03726	0.7
271.02487	18.5
272.02942	0.2
284.03253	0.3
285.04047	1.9
297.04019	0.7
299.01974	43.7
300.02399	1.5
313.03574	4.6
314.04337	33.7
315.04794	1.1
326.05045	0.2
329.06683	100.0
330.07010	2.4
552.50476	0.2
695.51477	0.2
799.23029	8.7
800.23358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.1
59.01105	1.8
59.01392	39.7
69.03472	1.1
71.01385	30.1
72.99299	1.4
73.02940	7.5
73.47004	0.9
81.03458	0.9
83.01386	5.8
83.05003	1.3
85.02940	15.5
87.00854	5.8
89.02437	21.2
91.24553	0.9
91.83083	0.9
92.66265	1.1
95.01387	5.2
97.02974	6.1
99.00886	3.5
101.02423	27.0
102.49988	0.8
108.02190	0.9
111.04486	0.9
113.02446	16.8
117.03458	6.7
119.03480	8.3
119.04964	1.6
121.02934	1.6
122.02471	7.5
123.00875	15.7
123.02791	1.0
124.01653	8.2
125.02461	8.0
131.03522	1.7
132.02156	22.5
133.02950	3.1
133.06647	1.3
134.03726	79.1
135.04474	1.6
136.04028	4.8
137.02419	1.3
137.06076	2.1
138.03215	8.0
138.06874	8.5
139.04015	3.7
139.07651	13.8
143.03513	4.2
149.02472	1.6
149.06097	7.6
150.03180	1.0
151.07637	4.8
153.93137	0.8
159.03004	1.1
160.01654	100.0
161.02393	5.5
161.04530	9.2
163.04080	3.6
164.04684	1.2
165.09167	0.9
173.09691	1.3
175.03993	86.5
175.07626	1.8
176.04836	1.3
178.02705	9.3
178.53743	0.8
179.05663	1.4
182.05867	1.1
190.02814	1.2
191.07185	1.8
191.10764	29.6
193.05057	47.1
200.25072	1.0
205.05084	1.5
217.04906	0.9
221.06712	1.8
223.06075	1.1
235.06168	7.0
235.08127	1.2
267.07272	4.7
310.11685	1.0
345.99109	1.0
413.10788	2.1
414.14594	2.7
415.16135	91.8
499.15268	1.3
559.16504	1.1
607.18817	5.5
625.19733	12.3
639.19391	3.4
661.20001	9.9
801.24567	41.6
801.39044	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	809.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01375	0.4
63.75113	0.1
71.01378	0.2
71.49458	0.2
77.20058	0.2
96.95987	1.1
97.06578	0.7
101.02480	0.2
120.00249	0.2
123.08178	0.4
125.09708	3.4
141.12869	1.4
149.09727	1.9
167.14426	0.2
181.65280	0.2
185.11829	8.5
186.70964	0.2
197.11809	2.7
220.14743	0.8
221.15474	1.5
236.10481	0.9
249.22235	1.0
253.09251	1.1
275.20200	0.4
279.23291	11.1
280.23563	0.2
290.63461	0.2
292.94080	0.2
293.21240	100.0
294.21548	3.4
314.22864	0.2
376.12592	0.2
462.26974	0.2
544.15210	0.2
673.25500	0.2
827.66315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12799	0.3
72.99324	0.3
75.00874	0.5
81.03438	2.3
83.04519	0.4
83.05022	9.2
84.41572	0.3
89.02412	0.3
89.80822	0.3
91.05525	46.2
93.03424	0.6
99.00851	0.6
113.32508	0.4
115.00343	0.4
125.07189	0.4
133.01393	0.7
134.89478	0.9
135.02954	1.6
135.04517	35.9
178.52184	0.3
207.15004	0.5
219.41504	0.4
224.17719	1.7
225.16074	9.4
242.18672	0.4
261.14514	0.4
266.65625	0.3
333.22772	0.6
339.69760	0.4
341.29178	0.6
433.31662	0.5
434.25574	0.4
450.34601	0.7
451.32947	6.4
461.04361	0.5
480.71875	0.4
550.43402	0.7
659.48914	1.6
677.49811	100.0
678.50177	6.3
813.54669	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	813.5739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
66.65010	0.2
81.41854	0.2
92.11675	1.0
110.55106	0.2
112.68849	0.3
113.09753	0.3
146.24361	0.3
183.13893	36.2
184.14188	0.4
253.09277	0.4
279.23267	11.7
280.23541	0.3
295.22745	1.2
296.22940	0.4
297.24356	100.0
298.24594	2.5
412.48938	0.3
496.08359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.9
59.01379	0.3
67.01886	1.1
68.11826	0.2
73.02919	0.3
85.02949	23.7
86.03297	0.2
87.00871	39.3
101.02447	0.3
103.03983	0.3
104.03479	0.2
109.72838	0.2
111.00877	100.0
112.01220	0.8
114.39926	0.2
129.01944	6.3
130.99844	1.5
146.04739	0.2
154.99890	1.2
173.00912	4.8
191.01982	71.6
192.02338	0.8
265.89792	0.2
329.46075	0.2
422.44418	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.5
59.01104	1.0
59.01389	21.4
63.08501	0.7
67.34108	0.6
68.99790	1.0
71.01389	22.0
72.99294	4.3
73.02943	1.4
75.00871	15.8
79.80980	0.6
83.01382	1.2
84.02143	0.7
85.02461	1.5
85.02948	30.4
87.00866	9.0
89.02435	8.8
91.05524	16.3
95.01389	6.8
99.00870	9.7
102.47832	0.7
103.00382	1.2
113.02441	34.6
115.00324	1.6
116.92828	1.1
117.01926	2.9
117.03431	3.6
121.02895	1.2
129.01910	3.1
131.03546	1.4
132.73775	0.7
135.04495	8.8
137.99576	1.1
145.34917	0.7
153.01923	63.7
154.02335	0.9
157.01395	0.8
168.04271	71.7
169.04659	1.0
175.02383	1.2
183.06610	42.4
189.04059	0.7
193.51311	0.8
194.96227	0.7
205.07152	1.0
207.04947	0.9
231.05016	1.0
249.06142	27.2
254.65125	0.9
267.07196	62.5
287.05350	0.8
385.11404	100.0
386.11798	1.6
387.13254	1.0
631.48877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.9
64.78202	0.5
73.02962	0.7
77.12671	0.5
92.65902	0.6
93.03451	0.9
97.80402	0.6
99.04620	0.6
117.03453	3.4
124.05341	0.6
135.04512	1.2
137.77728	0.6
141.29692	0.6
147.08183	5.5
161.02412	2.1
161.06012	0.7
164.08492	0.8
165.09230	6.0
173.09686	0.9
175.03946	1.1
182.02254	1.2
191.03506	0.8
191.10744	5.3
203.03563	0.8
205.05038	0.9
209.11830	4.3
253.10878	9.2
281.04535	0.9
282.05331	1.3
283.06204	3.2
295.06192	4.1
296.06976	2.9
297.07678	20.3
298.08044	0.8
307.06189	1.3
309.07764	3.1
311.05658	3.8
323.05548	4.5
325.07257	8.8
328.05963	5.0
335.05716	1.1
337.07254	3.6
353.02307	1.2
353.06705	37.5
354.07135	0.9
365.06610	5.3
383.07764	32.4
384.07968	1.2
395.07404	2.3
413.08850	5.2
425.08856	2.6
443.09790	9.7
455.09503	0.9
473.10809	8.2
543.40601	0.7
545.13312	0.9
563.14124	100.0
564.14441	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	817.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
59.01381	12.3
68.99808	0.5
69.03436	0.4
71.01373	10.6
72.99300	3.6
73.02942	1.0
75.00861	12.7
75.01288	0.4
76.94411	0.2
83.01377	0.4
85.02940	15.5
87.00858	5.4
89.02427	3.8
93.03423	0.3
95.01379	3.9
99.00865	8.2
101.02425	0.4
103.00358	1.4
111.00872	0.6
113.02436	16.1
115.00355	1.6
115.07632	100.0
116.07967	0.4
117.01913	2.7
129.01913	1.4
157.01393	0.5
169.55304	0.3
175.02463	1.4
189.03947	0.3
205.07182	0.4
231.05107	2.1
249.06146	12.6
267.07114	2.1
273.21826	0.2
296.92642	0.3
305.12469	1.1
325.56287	0.3
347.13461	1.3
365.14520	100.0
366.14740	1.8
378.22403	0.3
495.21533	0.3
516.87720	0.3
600.59692	0.3
743.56982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98885	0.4
63.97967	0.4
67.39455	0.4
69.03461	0.4
71.01384	2.6
74.99374	0.6
83.01403	0.5
89.02451	2.9
96.99324	0.8
97.02996	0.6
99.00935	0.6
101.00954	0.6
101.02402	3.0
113.00969	0.8
113.02444	1.7
115.99691	0.6
116.92870	0.5
123.06637	0.4
125.02458	1.5
140.08760	0.4
141.01700	39.6
141.06784	0.4
144.18359	0.4
168.53777	0.4
196.49077	0.4
212.15057	0.5
243.05026	0.6
275.06366	0.7
279.23294	10.4
280.01022	0.5
297.99838	0.4
345.06985	1.7
361.23584	5.0
397.13522	10.1
415.14801	2.1
419.11774	2.9
437.12637	3.6
677.37836	2.2
699.35114	11.3
700.34912	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
69.64175	0.3
70.23174	0.4
70.82387	0.3
71.01374	2.5
74.99355	0.6
76.99747	0.4
78.95877	0.4
82.95396	0.4
87.00882	0.6
89.02449	2.0
101.02438	1.8
101.43746	0.4
102.79862	0.3
102.98866	0.5
113.02452	0.6
116.92857	0.6
119.03484	0.4
125.02489	0.5
141.01683	33.1
155.01987	0.3
168.35983	0.4
243.04897	0.7
279.23297	9.8
345.06833	0.6
361.23672	3.2
368.22076	0.3
397.13547	6.9
402.64835	0.4
415.14624	1.5
419.11850	1.4
437.12540	2.9
500.84351	0.4
699.34906	6.4
789.01904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.2
58.00586	2.1
59.01382	82.9
68.60636	1.3
69.03447	3.5
69.55609	1.3
71.01381	90.3
72.00907	8.6
72.99310	2.9
73.02937	22.7
83.01381	6.8
85.02947	23.0
87.00872	16.0
89.02438	100.0
92.12399	1.6
95.01387	3.4
97.02930	6.6
99.00866	6.7
101.01762	2.8
101.02435	88.0
111.00859	2.9
113.02438	36.9
113.58772	1.4
119.03489	39.2
125.02426	48.3
131.03496	11.1
139.00398	9.8
143.03499	12.0
147.04523	28.1
149.04553	2.7
150.75705	1.4
153.01967	3.1
154.02701	3.1
156.73306	1.4
159.03021	1.7
161.04564	25.3
162.75269	1.4
164.07181	27.9
179.05605	71.8
221.06709	28.1
231.14412	1.3
269.56329	1.4
323.09790	1.8
341.11218	1.9
383.12039	12.4
425.13196	3.1
485.15057	22.2
655.20850	58.4
656.21613	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	821.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01378	3.0
78.95930	0.5
82.95387	0.5
85.02993	0.5
89.02440	2.8
92.65281	0.6
92.70409	0.5
93.90267	0.5
101.02458	2.9
109.83179	0.5
113.02444	0.7
119.03485	0.5
122.97030	0.5
141.01689	34.2
159.48538	0.5
235.08255	0.7
243.05136	1.0
259.94849	0.6
281.24902	10.8
363.25375	2.8
368.99988	0.5
397.13516	8.4
398.14127	0.6
415.15146	2.2
419.11926	2.1
437.12900	3.4
501.19565	0.6
679.39905	1.9
701.36658	5.9
770.90790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	100.0
64.34415	1.5
66.22038	1.6
71.01384	35.7
73.02941	10.7
80.85567	1.6
83.01371	3.3
83.85951	1.6
85.02966	15.4
87.00877	2.7
89.02434	22.0
95.01357	2.6
101.02438	16.8
113.02428	34.1
119.03448	2.9
124.01613	2.1
141.67212	1.7
143.03496	2.2
161.04582	6.9
164.61821	1.8
248.98993	2.0
390.15363	1.8
471.32956	2.5
615.37219	16.2
633.38641	36.9
651.39697	11.3
671.46948	2.0
675.39221	13.3
693.40582	24.3
735.41522	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	823.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	16.6
65.39648	0.5
69.02805	0.5
69.03447	0.9
71.01389	10.8
72.99315	0.7
73.02950	2.5
73.25471	0.5
78.95891	0.6
83.01392	0.9
85.02953	2.5
87.00864	2.8
89.02448	16.9
92.12292	0.8
95.04990	0.9
97.02950	1.2
97.06583	12.1
99.00876	0.9
101.02442	8.8
113.02444	4.5
119.03485	2.8
123.08144	6.2
125.02430	4.1
125.09708	69.8
126.10028	1.3
129.45583	0.6
138.30966	0.8
139.04002	0.7
142.10370	0.8
143.03487	0.7
143.10797	0.7
169.08716	1.4
179.05510	0.8
187.09755	42.7
187.11444	1.6
221.06842	0.6
235.08270	1.3
255.23306	49.4
256.23682	2.7
397.13422	3.6
415.14478	0.9
549.22144	0.8
567.23016	0.8
585.24335	1.3
823.46985	100.0
824.47467	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	823.5558
Annotation	Unknow
Peak:m/z	Relative Intensity
67.35001	0.6
81.03450	18.4
83.05022	59.1
84.05335	0.8
85.09801	0.7
100.07677	8.7
111.39606	0.6
114.38194	0.7
126.05579	0.9
126.29107	0.7
177.82101	0.7
199.18182	12.3
225.16058	12.4
243.17130	29.3
269.15051	1.2
302.75604	0.9
309.21744	1.3
353.20840	9.0
451.32751	5.4
469.33987	21.2
478.39108	0.8
579.37671	3.7
695.50854	10.6
777.23566	0.8
805.54718	1.5
823.55573	100.0
824.55182	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	825.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	2.1
59.01108	2.2
59.01386	51.2
59.72129	1.2
71.01384	65.7
72.99290	2.1
73.02945	15.4
76.57533	1.4
83.01379	2.3
85.02943	22.7
87.00868	35.2
89.02440	46.4
95.01357	6.8
97.02943	3.2
99.00867	2.9
101.02435	61.4
111.00831	1.4
113.02450	43.8
116.92823	2.5
119.03494	7.9
125.02425	3.2
129.01936	1.5
131.03494	2.3
141.02032	1.6
143.03477	13.3
149.04497	1.4
161.04553	13.8
162.45801	1.4
179.05588	20.7
203.05630	22.8
221.06664	35.5
263.07672	6.8
263.10883	1.2
279.23309	76.9
279.26422	2.5
280.23660	5.9
293.24976	11.9
321.24350	4.3
323.09854	6.8
341.10864	2.6
485.15189	100.0
486.15555	2.9
503.16257	42.0
765.38855	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	828.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.6
59.01389	51.3
71.01389	26.0
71.01733	0.4
71.01798	0.4
72.99325	2.7
73.02924	0.6
77.10181	0.3
81.44588	0.3
83.01389	2.1
85.02957	6.0
87.00858	1.5
89.02445	35.6
95.01376	2.3
96.95988	0.3
101.02438	22.0
109.51696	0.4
113.01707	0.6
113.02448	12.9
119.03492	15.9
119.04340	0.6
123.04446	0.4
131.03497	0.8
134.02478	7.6
140.54341	0.3
143.03502	0.5
143.07111	0.4
147.67114	0.3
149.04533	0.4
149.66473	0.3
161.04585	0.5
161.08200	0.7
162.01964	1.4
174.47443	0.4
176.93109	0.3
179.05638	1.7
323.13495	100.0
324.13834	1.4
380.56387	0.3
425.17038	0.4
504.13889	2.0
671.02240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	1.6
59.01389	54.8
61.07489	0.2
64.35189	0.2
70.74352	0.2
71.01389	27.6
72.99313	2.2
73.02927	1.1
75.00925	0.2
81.94078	0.2
83.01402	2.0
84.67436	0.2
85.02955	6.5
87.00887	1.6
89.02446	37.7
95.01397	2.3
96.96003	0.2
99.00874	0.3
99.08164	0.4
101.02441	21.9
113.01842	0.2
113.02448	12.8
119.03489	17.3
131.03510	1.1
143.03493	1.3
143.07185	0.4
149.04533	0.9
161.04572	1.0
161.08235	1.0
179.05626	1.6
217.04228	0.2
323.13489	100.0
324.13947	1.9
325.13925	0.3
334.05737	0.2
631.71136	0.2
714.68549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.5
59.67189	0.4
67.50005	0.3
71.01364	1.3
73.02937	0.3
83.01362	0.4
89.02448	0.4
92.11794	0.5
101.02416	0.3
109.02936	2.6
109.20227	0.4
122.02466	3.5
125.02417	0.4
133.02924	6.6
135.04495	0.7
147.08127	0.8
149.02405	0.5
151.03992	0.7
163.00276	0.4
163.03967	0.4
165.09207	1.7
175.03976	2.4
177.01880	1.9
177.05557	0.7
179.03467	0.8
191.03569	0.6
191.10776	2.1
201.02005	0.5
203.03452	1.5
205.01555	0.5
205.05037	0.6
209.11867	1.6
213.05678	0.5
215.03423	0.6
227.03513	0.5
229.05099	0.4
241.04988	0.5
245.04437	1.4
253.10881	1.7
257.04636	0.6
257.93558	0.6
267.06744	0.6
272.95993	0.5
281.04477	0.6
283.06079	0.7
284.06668	0.4
285.04099	0.5
297.04120	2.8
298.04819	8.8
299.05542	3.6
309.04105	1.5
310.04739	0.8
311.05637	7.4
312.06378	9.4
313.07175	11.0
323.05658	1.9
325.07306	1.5
327.05063	4.2
338.04303	0.5
339.05188	11.6
341.06671	6.7
344.05377	1.4
351.05042	1.5
353.06750	3.4
357.06223	1.5
357.64423	0.5
367.08374	0.4
369.06177	47.8
370.06680	2.4
381.06189	6.3
383.07986	0.6
399.07227	39.9
400.07623	2.1
411.07257	5.2
413.08914	0.4
423.07153	0.9
425.08905	0.4
429.08292	8.7
441.08414	3.2
453.08405	1.7
459.09537	2.4
471.09396	3.4
489.10458	11.3
519.11157	1.8
579.13611	100.0
580.13885	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	835.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36923	0.3
59.01110	0.7
59.01388	14.3
65.00330	0.5
67.01874	1.0
68.99815	1.7
69.03441	1.1
71.01385	16.2
72.83844	0.4
72.99313	5.0
73.02932	1.0
75.00448	0.6
75.00871	13.2
81.03462	0.6
83.01389	0.7
83.49894	0.4
85.02950	17.4
87.00880	6.0
88.63570	0.5
89.02433	5.7
91.01878	7.2
91.04029	0.6
92.11421	0.4
92.65784	0.7
93.03447	0.8
95.01359	5.0
96.96009	0.6
99.00871	11.4
103.00341	1.0
108.02180	5.1
109.02959	4.2
109.03590	0.5
111.00869	2.3
113.02448	19.4
115.00365	2.2
117.01929	3.1
123.04513	37.0
124.01676	0.6
129.01964	1.0
139.00349	0.8
151.00389	2.7
152.01151	3.1
153.01938	9.6
167.03493	67.3
168.03754	0.6
175.02519	0.7
189.03973	0.5
207.05061	0.5
226.04904	3.1
227.05693	3.5
231.05061	2.4
237.71388	0.5
241.07217	6.1
249.06169	29.4
267.07217	11.9
269.06619	1.0
323.13651	0.8
357.08069	0.7
399.09512	3.5
417.10440	100.0
418.10913	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	836.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.7
66.29218	0.3
71.01376	4.5
85.02930	0.6
87.00858	0.4
89.02432	9.1
101.02422	3.4
103.61361	0.4
112.35895	0.3
113.02454	3.2
119.03500	4.2
143.03494	1.4
149.04559	0.6
152.99521	0.4
161.04559	1.3
179.05603	5.9
197.02290	0.4
215.03253	2.9
217.98505	0.4
293.58850	0.4
341.10870	14.9
377.08578	100.0
378.08817	2.8
440.62946	0.4
465.35565	0.4
606.36609	0.4
659.80505	0.4
701.25397	0.4
850.69049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.2
67.01877	0.4
68.99819	0.5
69.03452	0.4
71.01376	11.3
72.99302	3.6
73.02929	1.2
73.68967	0.2
75.00867	12.6
83.01389	0.4
85.02945	14.8
87.00867	6.2
89.02441	4.4
90.36517	0.2
95.01376	4.2
99.00873	8.8
101.06070	100.0
102.06419	1.1
103.00362	1.7
111.00841	0.3
112.74961	0.2
113.02439	16.5
115.00360	1.6
117.01949	3.3
122.02444	0.4
129.01955	1.1
152.03838	0.2
157.01436	0.3
175.02512	1.4
189.04211	0.3
205.07178	0.5
231.05154	2.3
249.06166	13.1
257.80338	0.2
267.07214	1.1
291.10855	0.3
331.49036	0.2
333.11996	1.4
351.13000	96.4
352.13431	2.8
357.78296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	51.1
61.98838	0.4
63.02472	0.4
66.28928	0.3
69.03451	0.4
69.66100	0.4
71.01378	52.0
72.99302	2.3
73.02933	4.3
75.00841	1.0
81.01723	0.4
81.03466	0.4
83.01365	1.0
85.02940	9.7
87.00863	9.7
89.02432	69.9
91.81286	0.4
95.01385	3.3
97.02934	1.9
99.00858	1.7
101.01755	1.0
101.02424	29.7
107.80603	0.4
111.00854	0.7
113.02432	27.4
119.03474	10.7
125.02422	2.5
129.01944	1.0
131.03479	2.8
143.03490	7.0
149.04547	2.4
161.04532	7.7
179.05600	19.4
221.04684	0.8
221.06667	16.9
323.09924	4.4
341.10925	6.5
477.06760	0.5
503.16211	100.0
504.16260	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	847.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
60.11410	0.2
66.79696	0.2
67.01873	0.4
70.17564	0.2
71.01385	0.2
85.02948	24.0
87.00871	40.0
101.02450	0.8
103.04003	0.3
111.00879	100.0
112.01219	1.0
113.02475	0.3
129.01941	5.4
130.99875	1.6
137.00580	0.2
146.04631	0.2
147.03024	0.4
154.99890	0.9
159.61626	0.2
173.00912	5.0
191.01985	67.0
192.02357	0.8
193.85510	0.2
195.14604	0.2
207.77011	0.2
426.02612	0.2
598.30066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
62.24940	0.4
71.01381	12.2
72.99302	5.3
73.02958	0.9
75.00877	14.2
83.01385	0.7
85.02959	18.3
87.00881	5.9
89.02443	6.4
95.01382	4.8
96.96009	2.4
99.00870	8.5
101.02441	0.8
101.06080	87.5
103.00353	2.4
108.04562	0.8
113.02442	21.6
114.39130	0.5
115.00361	1.8
117.01935	2.7
118.03067	0.5
119.03435	0.5
129.01926	1.8
134.01459	1.0
134.02480	30.9
136.04054	0.5
136.07687	3.3
140.03552	0.5
152.03546	0.5
154.05103	0.7
156.65720	0.5
162.01900	4.3
167.00848	0.4
170.04616	2.4
175.02486	1.1
179.05637	0.6
205.07236	0.6
223.08344	0.8
231.04984	0.9
241.00175	0.5
249.06206	4.9
267.07251	2.4
273.97339	0.4
306.02603	0.5
333.11942	1.0
351.12985	100.0
352.13303	1.9
380.31903	0.5
425.07428	0.9
439.08603	0.6
504.13705	7.1
522.97272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
60.16687	0.6
132.02158	29.2
133.02916	3.0
134.03732	11.5
160.01648	100.0
161.02361	5.1
175.03990	79.8
193.05013	8.3
379.10162	0.9
629.03888	0.9
643.18823	1.4
719.39160	1.0
771.46729	0.9
801.22662	4.6
819.23199	4.7
861.24890	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	863.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	12.5
62.98044	9.3
71.69069	10.7
80.98627	9.5
97.77406	9.1
99.61729	10.6
104.17175	8.9
186.27092	10.2
235.08307	18.6
279.23376	98.4
312.17963	10.5
329.23355	100.0
388.31165	10.1
403.15906	10.0
437.88559	12.3
510.43121	11.3
515.32147	18.2
580.40955	11.6
770.90411	10.7
863.52740	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41463	1.6
67.53983	1.9
72.00894	4.7
82.31629	1.8
87.92530	2.2
102.93594	3.4
103.92039	40.1
104.92817	9.3
113.92854	3.8
115.94425	2.6
116.05060	9.9
123.94632	11.6
130.06609	3.3
131.03767	10.2
140.05070	3.3
142.06615	29.6
144.04504	3.6
145.13995	2.3
156.06984	13.2
157.07767	4.4
169.95499	2.4
203.08278	2.6
203.97569	12.1
213.01205	10.3
218.96819	2.4
229.99118	11.8
247.43370	2.2
253.02225	2.5
259.01746	4.6
264.02020	2.8
275.01285	10.5
292.01538	100.0
302.02359	10.4
305.99460	17.9
330.01883	8.4
404.09503	2.6
432.08759	12.0
461.09171	25.1
462.10114	3.6
476.08047	2.9
728.71613	2.8
797.17682	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	871.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
68.52513	0.3
70.18782	0.3
71.01375	1.6
73.02928	0.3
89.02404	0.8
93.03431	0.7
96.95984	2.5
98.95592	0.5
101.02406	0.5
113.02363	0.4
117.03455	4.8
119.04988	0.5
135.04478	2.6
149.02429	0.8
154.92833	0.5
161.02444	2.7
163.04022	2.3
173.02409	0.5
174.86702	0.3
175.03996	1.5
177.05588	0.8
179.03435	0.5
191.03517	2.0
203.03473	1.8
217.05028	0.6
221.04439	0.6
225.88130	0.4
233.04494	0.6
235.07373	0.4
243.23228	0.4
251.07321	0.4
253.08691	0.6
267.06796	0.7
268.07446	0.8
281.04565	0.7
282.05313	2.2
283.06079	5.3
293.08154	0.5
295.06161	5.9
296.06616	2.7
297.07690	21.4
297.11124	0.8
298.08005	0.8
306.10959	0.4
307.06061	2.1
307.13953	0.5
309.07739	2.7
311.05646	3.6
323.05716	4.4
324.06427	0.5
325.07187	8.5
328.05878	5.9
335.05579	1.3
337.07172	3.9
353.06714	42.3
354.07043	3.2
355.08475	0.6
356.05511	0.5
365.06815	5.6
383.07767	30.7
384.08151	2.3
395.07745	4.0
413.08740	4.4
425.08548	2.8
443.09824	8.9
444.10394	0.8
455.09775	0.9
473.10831	6.2
484.45035	0.3
503.11823	0.7
505.40402	0.4
522.10498	0.4
545.12903	0.6
563.14117	100.0
564.14514	8.5
567.74030	0.4
689.82617	0.4
767.58813	0.4
801.15076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	16.7
72.98071	0.3
72.99287	0.7
73.02932	1.1
78.74881	0.3
83.01394	0.4
85.02951	2.8
87.00868	4.2
89.02436	32.7
92.52979	0.3
95.01352	0.5
97.02995	0.4
99.00863	0.3
101.02431	14.3
113.02440	11.2
119.03499	7.1
125.02423	1.3
131.03476	1.7
143.03490	3.4
149.04553	1.7
161.04541	4.3
179.05608	15.9
221.06659	12.3
298.34503	0.4
323.09860	2.5
341.10886	1.7
354.25043	0.4
377.08527	5.5
445.79095	0.4
493.22464	0.4
503.16208	25.6
504.16208	0.7
539.13892	100.0
540.14264	5.1
639.43982	0.4
795.70551	0.4
911.28857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	0.1
76.65939	0.1
88.68333	0.1
93.03438	0.1
96.95983	0.1
99.92569	7.2
114.93385	0.7
116.92841	100.0
117.03432	0.6
117.92847	1.8
120.26508	0.1
142.03418	0.1
149.02481	0.1
156.32707	0.1
161.02470	0.1
167.60355	0.1
173.02394	0.4
185.02382	0.1
189.01843	0.1
193.05080	0.1
194.92917	0.1
215.03575	0.1
216.41786	0.1
217.01578	0.2
256.19501	0.1
292.93613	0.1
302.81772	0.1
305.04471	0.3
306.05292	0.1
306.48282	0.1
307.06174	0.4
323.05597	0.1
335.05640	1.2
365.06561	0.5
425.08762	3.8
426.09094	0.1
455.09952	0.1
545.13068	2.7
678.55280	0.1
717.55096	0.1
769.20087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.5748
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	4.4
72.99305	0.5
73.02962	0.9
83.01360	0.6
83.89322	0.5
86.12574	0.5
87.00874	0.9
89.02451	2.9
95.56420	0.6
99.08140	2.6
101.02441	5.6
113.02423	2.7
116.92883	0.6
119.03510	0.7
127.11310	1.2
130.97391	0.6
131.54602	0.6
133.05013	0.7
139.11282	4.3
141.06808	0.6
145.05025	0.7
157.05148	0.8
161.04514	1.4
171.10272	12.9
183.13916	1.5
211.13406	16.5
229.14415	8.6
235.08221	11.9
253.09306	15.1
279.23303	100.0
280.23654	5.2
293.21329	0.9
311.22314	7.2
312.22958	0.6
329.23367	58.7
330.23666	2.6
411.87119	0.6
479.26526	0.7
515.32147	2.9
547.31055	4.3
565.32629	4.6
591.46375	2.5
685.90399	0.7
690.83905	0.7
827.55151	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	895.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34464	0.3
67.86863	0.3
69.03463	0.4
71.01379	36.6
72.99309	1.6
73.02944	14.2
73.03336	0.6
76.13806	0.4
78.16889	0.4
81.03454	3.6
81.77734	0.4
83.01375	4.1
83.05021	15.2
83.05481	0.6
85.02945	10.1
85.03410	0.6
87.00893	2.5
89.01888	1.1
89.02435	27.6
95.01398	2.5
97.02940	0.8
99.00874	1.6
101.02429	24.1
102.48919	0.4
113.02437	17.2
119.03484	9.7
125.02413	1.7
125.07192	1.7
127.98952	0.5
131.03548	1.7
133.10254	1.7
143.03537	2.3
143.08275	0.7
149.04541	0.8
151.11295	0.5
159.03098	0.7
161.04547	10.0
177.09215	6.0
179.05647	2.1
195.10269	11.0
196.61726	0.5
203.05644	0.6
207.15079	2.6
216.14600	0.4
224.17644	4.2
225.16072	12.2
242.18828	0.8
293.95129	0.4
309.21732	0.5
324.26529	0.9
333.22955	2.8
339.14523	9.2
351.23904	0.6
357.15555	20.3
367.27097	1.5
399.16608	100.0
400.17081	3.1
433.31808	6.9
443.15820	0.9
449.59158	0.5
451.32919	97.6
452.33371	3.4
538.72614	0.5
753.76837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00700	0.2
78.95908	6.4
83.30968	0.3
85.94117	0.3
92.65356	0.3
110.98506	1.9
113.02441	0.3
140.01193	2.1
152.99576	0.6
167.01152	0.5
185.02238	1.2
193.04277	0.3
196.03807	0.6
214.04834	2.4
237.68867	0.3
255.23294	100.0
256.23618	3.3
279.23288	41.9
280.23633	1.3
447.25174	13.1
448.25177	0.4
452.27859	28.1
453.28098	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	900.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34551	0.2
70.05142	0.1
71.58213	0.2
73.03538	0.2
78.95892	20.5
79.02031	0.2
83.42474	0.2
92.12352	0.4
110.98524	5.1
116.92907	0.2
122.00106	0.7
140.01178	6.1
152.99571	1.3
167.01123	5.3
185.02200	1.1
196.03789	9.3
214.04910	1.7
221.16161	0.2
224.14449	0.2
228.45844	0.2
237.22112	0.3
255.23288	100.0
256.23660	3.1
279.23270	45.9
280.23636	1.2
314.25507	0.2
447.25211	23.4
448.25452	1.0
452.27844	53.1
453.28091	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	917.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01318	0.3
67.21199	0.3
73.52117	0.3
75.51514	0.3
76.77673	0.3
78.95905	13.6
96.96945	0.7
119.44845	0.4
123.07230	0.3
152.99582	29.3
171.00656	1.4
227.03299	1.8
237.22229	0.4
245.04399	0.8
255.23293	100.0
256.23584	2.0
279.23120	2.9
433.23624	1.9
447.25220	0.9
483.27301	61.3
484.27692	2.4
698.61993	0.4
731.70270	0.4
948.65710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34689	0.4
67.68843	0.4
71.01389	22.2
72.99306	1.1
73.02946	0.5
83.01377	0.8
85.02952	5.3
89.02445	30.7
95.01370	1.6
101.02438	18.2
113.02443	11.4
119.03485	14.0
131.03473	0.6
133.05063	0.8
133.99918	0.4
138.07094	0.4
149.04495	0.5
161.04614	0.6
179.05605	0.7
228.84732	0.5
256.00757	0.4
295.10349	100.0
296.10727	2.1
361.60434	0.5
379.88788	0.5
540.49921	0.5
913.26025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00310	0.4
67.01890	0.5
68.99814	1.5
69.03447	1.7
71.01379	12.1
72.99293	4.8
73.02934	1.3
75.00452	0.4
75.00865	10.5
81.03431	1.3
83.01373	0.4
85.02942	15.0
87.00872	4.8
89.02425	4.0
91.01878	5.1
92.66093	0.3
93.03458	0.7
95.01364	4.7
97.02970	0.3
99.00864	8.9
101.02418	1.3
103.00353	1.2
108.02164	4.1
109.02962	3.1
111.00861	2.0
113.02436	15.7
115.00359	1.6
117.01926	3.0
123.00845	0.4
123.04508	32.0
124.01646	0.5
125.02386	0.3
129.01900	1.6
134.02481	6.1
139.00414	0.5
139.38565	0.3
151.00374	2.1
152.01176	3.3
153.01938	7.7
153.98863	0.3
157.01424	0.5
162.01978	0.4
163.77895	0.3
165.01881	0.4
167.03484	59.2
168.03831	1.2
175.02483	1.7
178.56468	0.3
189.04074	0.6
190.80713	0.3
226.04851	3.7
227.05586	4.1
231.05156	2.8
241.07166	4.4
249.06145	23.9
249.15971	0.3
267.07230	11.7
269.06812	1.1
355.10425	0.6
357.08377	1.2
385.07672	0.6
399.09457	2.2
417.10416	100.0
418.10757	4.0
504.13809	0.5
900.79761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00316	0.3
65.15446	0.2
67.01872	0.6
68.29865	0.2
68.99817	2.2
69.03445	0.9
71.01378	10.9
72.99297	3.6
73.02920	1.2
75.00461	0.4
75.00868	11.1
77.53629	0.2
81.03455	0.9
83.01366	1.3
83.05002	0.3
83.51897	0.2
85.02946	13.3
87.00873	4.5
89.02430	4.5
91.01887	5.9
91.04000	0.5
93.03427	0.5
95.01378	4.4
97.02925	0.5
99.00865	8.1
101.02436	0.3
103.00359	1.8
108.02168	4.3
109.02962	3.9
111.00883	2.5
112.01637	0.3
113.02444	16.3
113.41619	0.3
114.02753	0.3
115.00349	2.0
117.01945	3.0
119.52811	0.2
123.00780	0.4
123.04511	33.1
124.01607	0.4
124.04856	0.4
125.02422	0.4
129.01903	1.4
130.99875	0.2
139.00398	0.6
146.77513	0.3
151.00363	2.5
152.01167	3.9
153.01932	7.6
157.01331	0.4
165.01959	0.4
167.03488	60.2
168.03799	1.0
175.02481	1.4
180.87941	0.2
189.03984	0.4
209.04576	0.3
226.04814	3.1
227.05594	3.8
231.05078	2.4
241.07201	4.8
249.06158	25.3
250.06511	0.4
255.05025	0.3
267.07224	11.9
269.06726	1.3
274.28748	0.3
355.10406	1.0
357.08246	1.6
385.07852	0.4
399.09427	2.3
417.10431	100.0
418.10718	3.1
518.84460	0.3
660.61517	0.3
675.62085	0.3
772.10632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35380	0.1
66.33055	0.2
68.89825	0.1
71.01385	5.2
72.99309	1.0
73.02940	0.7
75.00875	4.8
79.95741	6.9
80.96504	1.4
81.75141	0.2
83.01381	0.8
85.02955	5.8
87.00883	1.9
89.02445	1.0
95.01393	0.7
95.94643	0.2
95.95235	5.0
96.96008	100.0
97.02954	0.2
99.00892	1.8
101.02432	2.1
102.52122	0.2
110.97598	0.2
111.94689	0.1
112.01682	0.3
113.01706	0.3
113.02451	6.4
115.00385	0.3
117.01976	0.2
118.03040	0.2
122.97586	0.4
129.01920	0.2
134.02483	4.0
138.97070	5.5
141.95773	0.4
143.03468	0.5
150.97095	1.9
152.98648	1.1
153.01932	0.3
161.04605	0.7
162.02032	0.3
164.98608	0.3
168.04263	0.3
168.98158	0.3
175.02454	0.3
180.98097	1.4
182.99734	0.7
197.01274	0.2
213.00819	0.3
222.99187	1.0
225.00771	3.0
241.00246	16.6
242.00755	0.2
249.13429	0.9
261.28214	0.2
311.72455	0.2
336.41931	0.2
395.03311	0.2
402.58325	0.1
425.07654	66.2
425.16397	19.8
426.08026	2.8
475.97876	0.2
504.13852	0.7
923.67133	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	0.9
93.03433	0.9
99.43867	0.5
117.03455	3.6
119.04992	0.7
121.03004	0.6
130.06503	0.5
131.04965	0.7
132.71449	0.5
135.04535	0.8
137.02483	0.7
139.97934	0.5
149.02435	0.6
161.02440	2.9
163.03995	0.8
165.56041	0.5
175.03967	1.2
177.05623	0.8
187.04030	0.5
189.01826	0.5
191.03459	1.0
203.03549	0.9
217.04941	0.6
221.04625	0.7
233.04558	1.1
268.07486	1.0
282.05374	2.5
283.06088	4.6
295.06174	5.6
296.06894	2.9
297.07690	21.7
307.06018	2.8
309.07712	3.1
311.05661	3.8
323.05481	4.0
324.06314	0.7
325.07220	8.5
328.05798	3.8
335.05533	2.0
337.07336	4.0
341.06793	0.7
351.05185	0.7
353.06705	44.6
354.06918	2.3
356.05237	0.8
365.06763	7.4
383.07779	35.9
384.07883	1.0
395.07962	3.9
407.07654	0.8
413.08771	5.1
425.08817	4.1
437.09024	0.8
443.09796	10.3
455.09814	0.7
473.10822	7.3
485.10736	0.8
503.11734	0.8
505.43631	0.6
516.37219	0.6
545.13086	0.9
563.14105	100.0
564.14514	6.9
616.40570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
66.47483	0.3
68.25568	0.3
71.01359	0.5
72.22142	0.3
75.00868	0.3
85.02953	0.5
92.11642	0.8
93.03433	0.6
95.01363	0.3
110.41681	0.3
113.02448	0.4
117.03450	3.7
119.05015	0.8
121.02956	1.3
135.04506	1.6
147.04474	0.4
149.02419	0.8
161.02438	1.8
163.04004	1.5
173.06007	0.5
175.04013	1.7
177.01904	0.5
177.05582	0.7
179.03477	0.4
189.05586	0.5
191.03459	1.6
203.03525	1.6
205.05107	0.4
215.03592	0.4
221.04524	0.5
225.05647	0.4
233.04532	0.5
245.04573	0.5
253.08525	0.4
267.06564	0.6
268.07404	1.5
281.04510	0.7
282.05307	2.2
283.06146	3.7
293.04492	0.4
295.06100	6.2
296.06863	3.0
297.07681	22.1
298.08014	0.6
307.06140	1.8
309.07770	2.4
311.05643	2.9
313.05338	0.3
322.04633	0.4
323.05652	4.4
325.07224	9.3
328.05914	5.2
335.05566	1.8
337.07278	3.1
341.06583	0.7
351.05014	0.5
353.06699	41.6
354.07034	1.3
355.07993	0.7
356.05371	1.5
365.06705	5.8
379.08383	0.4
383.07755	32.0
384.07913	0.6
389.06595	0.5
395.07657	3.7
407.07690	0.8
413.08801	5.4
425.08859	4.0
443.09891	8.7
455.09894	1.4
473.11035	7.7
485.10522	0.6
503.12061	2.2
515.11536	0.5
545.13397	0.6
563.14111	100.0
564.14398	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	936.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
74.57652	0.1
76.13811	0.1
78.95908	13.5
80.37920	0.1
84.83828	0.1
92.12410	0.3
94.63643	0.1
96.96968	1.2
134.98529	0.2
140.64554	0.1
150.98051	0.1
152.99594	28.3
171.00645	1.6
193.04210	0.1
227.03281	2.9
245.04378	1.0
255.23326	100.0
256.23657	2.9
391.22641	0.2
452.27921	0.3
483.27338	62.9
484.27759	2.8
536.65881	0.2
556.49402	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	936.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
70.94734	0.1
71.64040	0.1
73.60150	0.1
78.95897	13.2
86.26820	0.1
87.99618	0.1
96.96954	1.3
111.33424	0.1
134.98553	0.2
150.98074	0.3
152.99582	30.2
153.99907	0.2
160.61400	0.1
171.00615	1.5
227.03276	3.7
231.88654	0.1
237.22231	0.4
245.04335	0.8
255.23305	100.0
256.23672	3.9
345.83755	0.1
391.22568	0.2
409.23154	0.1
452.27737	0.5
483.27332	60.2
484.27640	3.1
576.92291	0.1
818.25085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6424
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36642	0.2
75.03203	0.3
78.20551	0.2
83.05020	1.0
92.12342	0.3
102.12190	0.2
145.05904	0.2
175.03964	0.5
182.61005	0.3
225.16075	1.1
303.13589	0.3
374.78165	0.3
391.02560	0.2
451.33301	1.4
573.04016	0.3
677.48950	0.3
903.66656	2.8
939.64270	100.0
940.64392	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	941.5975
Annotation	Unknow
Peak:m/z	Relative Intensity
72.11434	0.3
74.22295	0.4
78.17664	0.3
78.95901	5.8
87.55854	0.4
97.70889	0.3
106.22353	0.4
110.78677	0.4
110.98519	5.1
116.92824	0.6
117.59621	0.3
151.63052	0.4
167.01137	4.8
185.02185	2.3
202.32761	0.4
203.69624	0.3
225.13390	0.5
228.22618	0.4
255.23308	2.2
281.24866	100.0
282.25214	2.4
296.77185	0.4
331.69708	0.5
389.16837	0.4
410.95441	0.4
449.26776	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.5842
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57773	0.1
78.95897	4.2
89.00504	0.1
96.65530	0.1
107.10431	0.1
110.98522	4.2
128.73357	0.1
137.00140	0.1
149.90970	0.1
152.99580	0.5
167.01134	2.5
185.02202	3.2
187.22868	0.1
255.23337	0.4
261.22043	0.6
279.23294	100.0
280.23578	2.1
322.54602	0.1
447.25192	35.5
448.25647	0.6
483.28079	0.1
498.48953	0.1
627.46783	0.1
905.02832	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	942.5842
Annotation	Unknow
Peak:m/z	Relative Intensity
68.63718	0.2
74.90264	0.3
76.57896	0.3
78.95909	13.4
78.96376	0.5
89.38057	0.3
100.95848	0.3
104.97445	0.4
110.98534	11.2
117.59384	0.3
137.00041	0.5
145.82622	0.3
152.99539	0.3
153.89507	0.3
167.01129	10.9
183.80476	0.3
185.02193	2.9
225.35971	0.3
255.23221	0.5
279.23288	100.0
280.23599	3.4
447.25177	55.5
448.25452	2.0
451.55423	0.3
679.95074	0.3
809.41589	0.3
908.34448	0.3
918.74261	0.3
967.96271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
70.53732	0.3
71.01334	0.3
76.42751	0.3
78.95898	49.8
79.95720	0.5
89.02428	0.5
96.95998	29.1
96.96952	100.0
103.34373	0.3
138.50780	0.3
204.29762	0.3
259.02203	1.9
394.87048	0.4
439.08600	1.2
503.15948	0.5
601.13910	30.0
602.13489	0.4
890.51556	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5797
Annotation	Unknow
Peak:m/z	Relative Intensity
67.37737	0.1
73.76583	0.1
78.95895	100.0
96.96948	9.0
99.94175	0.1
140.01154	0.6
150.98056	0.2
152.99576	24.1
171.00627	28.7
214.04846	0.5
334.67267	0.1
358.62827	0.1
384.23306	0.2
402.24127	4.0
476.27835	71.8
477.28131	3.0
535.96503	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	947.611
Annotation	Unknow
Peak:m/z	Relative Intensity
73.13957	0.0
78.95894	13.3
81.93579	0.0
104.48357	0.1
104.97471	0.1
122.00106	0.7
122.98520	0.1
134.98499	0.2
140.01178	5.6
152.99579	1.4
166.02708	0.1
196.03796	9.4
197.04167	0.1
199.47530	0.1
214.04880	1.6
237.22231	0.1
247.90791	0.1
255.23296	100.0
256.23642	2.8
257.94006	0.1
338.73288	0.1
367.18948	0.1
391.22513	0.1
452.27847	54.5
453.22424	0.1
453.28183	1.8
889.05164	0.1
971.01794	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	947.7559
Annotation	Unknow
Peak:m/z	Relative Intensity
68.17043	0.1
78.71581	0.1
154.01772	0.1
183.13904	0.2
192.91930	0.1
211.13435	0.8
229.14456	0.6
279.23294	15.6
280.23734	0.2
281.24860	100.0
282.25192	2.3
293.21304	0.5
311.22296	1.4
329.23334	2.8
478.23917	0.1
591.46118	1.0
591.77942	0.2
741.39160	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	0.9
72.99285	0.1
73.02938	0.2
75.00858	0.2
79.01883	0.2
83.01380	0.1
83.66640	0.1
85.02934	0.4
87.00841	0.1
89.02412	0.1
91.05527	0.5
93.03442	1.1
95.01367	0.2
99.00867	0.1
101.02418	0.1
107.33089	0.1
109.02937	0.1
110.84475	0.1
110.98746	0.1
113.02441	0.6
117.03444	3.5
119.05014	0.7
125.02464	0.1
131.05034	0.2
133.06572	0.4
135.04503	1.8
137.02419	0.2
143.04982	0.1
145.02982	0.4
147.04535	0.7
149.02419	0.7
149.06087	0.2
151.03987	0.2
159.04478	0.6
161.02431	2.2
161.06041	0.2
163.03993	1.2
171.04417	0.1
173.02493	0.2
173.06032	0.2
175.03967	1.4
177.01926	0.4
177.05550	1.2
179.03484	0.4
181.30960	0.1
182.03673	0.1
187.03958	0.5
189.01863	0.8
189.05586	0.5
191.03487	1.6
197.06018	0.4
199.03998	0.2
201.05649	0.2
203.03497	1.5
205.01479	0.2
205.05060	0.8
207.03000	0.1
210.06903	0.1
213.05629	0.1
215.03551	0.4
217.01401	0.1
217.05135	0.7
221.04547	0.8
223.07628	0.2
224.08388	0.2
225.05591	0.5
225.09213	0.1
227.03499	0.1
231.02986	0.1
233.04582	1.0
235.02528	0.2
237.05571	0.4
238.06454	0.2
239.07115	0.2
245.04570	0.6
247.70439	0.1
249.06035	0.2
251.07095	0.5
252.07858	0.1
253.05119	0.2
253.08728	0.5
254.05795	0.1
255.06940	0.1
263.07538	0.1
265.05127	0.1
266.05911	0.2
267.06879	1.2
268.07413	1.3
269.04593	0.2
271.02676	0.1
275.05548	0.1
277.05090	0.1
279.06677	0.5
280.07159	0.1
281.04556	1.0
281.08118	0.2
282.05304	2.3
283.06116	4.7
283.23291	0.1
291.06717	0.1
293.04590	0.4
293.08209	0.5
294.05377	0.2
295.06116	5.3
296.06894	2.6
297.07678	22.8
298.07977	0.6
306.05389	0.2
307.06125	2.6
308.06845	0.1
309.04306	0.2
309.07724	3.2
311.05600	3.2
311.09122	0.1
314.04343	0.4
319.06110	0.2
321.04102	0.4
321.07605	0.5
322.04742	0.6
323.05621	5.5
323.09015	0.2
324.06265	0.8
325.07196	8.7
326.04263	0.1
328.05923	4.8
335.05539	1.7
336.06247	0.2
337.03186	0.2
337.07184	4.1
338.07870	0.2
339.08792	0.1
340.05875	0.1
341.06644	0.9
341.35947	0.1
347.05676	0.2
349.07172	0.2
351.01337	0.1
351.05084	0.8
351.08890	0.2
353.06683	43.8
354.07068	1.3
355.08179	1.2
356.05383	1.2
361.06677	0.1
365.06671	7.0
366.07068	0.2
367.08228	0.6
377.06610	0.4
379.08286	0.9
381.06119	0.5
383.07736	36.8
384.08020	1.1
385.11432	0.9
389.06723	0.2
395.07758	3.7
397.09177	0.7
407.07654	1.6
413.08783	5.3
414.09402	0.2
425.08826	5.1
426.09451	0.1
437.08765	0.5
443.09857	7.9
444.10178	0.1
455.10068	1.0
473.10889	5.4
474.11566	0.2
485.11078	0.6
503.11960	2.7
515.12262	0.2
527.11609	0.1
545.13135	1.0
552.78503	0.1
561.57996	0.1
563.14099	100.0
564.14447	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	951.548
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71356	0.2
70.05218	0.2
76.87083	0.3
78.95897	100.0
89.31258	0.2
96.96951	8.3
98.05891	0.3
100.72328	0.2
130.48640	0.3
140.01192	1.4
150.98055	0.3
152.99577	22.7
167.20355	0.2
171.00636	26.6
189.64314	0.2
196.03822	0.9
214.05042	0.4
272.34259	0.3
277.21750	5.5
278.22107	3.3
279.22385	1.0
328.27438	0.2
402.24271	3.7
474.26419	2.5
475.26462	2.2
476.27835	77.1
477.28214	1.5
694.88702	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.6268
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05696	0.2
67.69506	0.2
68.99815	0.3
69.03448	1.3
71.01379	21.7
72.99303	1.7
73.02946	3.7
75.00847	0.4
81.03440	0.9
83.01387	2.7
85.02946	5.7
87.00863	4.7
89.02439	25.6
91.03991	0.3
92.11795	0.4
95.01379	1.8
97.02945	4.5
99.00868	1.1
101.02433	21.1
103.00298	0.2
109.02954	0.5
111.00857	0.3
111.04518	0.9
113.02441	10.9
114.39539	0.2
115.04018	0.3
119.03487	7.4
121.02932	0.8
124.01648	0.2
125.02428	8.5
125.03345	0.3
127.04008	0.3
131.03502	1.0
133.05064	1.5
139.04057	0.9
139.55080	0.2
141.01945	0.3
143.03497	3.3
148.26268	0.2
149.02426	0.2
149.04549	0.3
155.03543	0.2
157.04993	0.3
161.04552	4.4
167.03404	0.4
169.05096	0.8
179.05634	3.3
210.41391	0.2
217.07185	0.3
221.06697	1.7
235.08247	7.7
241.83374	0.2
242.98099	0.2
245.06680	0.3
251.23831	1.1
253.09319	1.5
255.23306	70.0
256.23593	2.2
263.07712	0.8
269.25125	0.2
277.09036	0.2
279.23203	1.0
287.07703	2.1
295.22751	0.9
297.24362	100.0
298.24762	2.9
305.08813	3.2
323.09918	1.0
351.71893	0.2
379.12723	0.4
383.84995	0.2
386.15643	0.2
397.13522	82.3
398.13803	2.1
415.14606	24.1
416.14728	0.3
626.64941	0.2
653.37592	11.9
654.37860	0.4
806.29791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
67.62840	0.1
71.20795	0.1
71.63625	0.1
73.78281	0.1
78.95894	4.9
114.16129	0.1
116.92841	0.1
120.61859	0.1
122.00105	0.3
140.01176	2.5
146.28111	0.1
152.99576	0.8
156.27640	0.1
171.00650	0.1
188.32141	0.1
196.03783	1.2
214.04871	2.7
261.22214	0.4
279.23282	100.0
280.23608	2.8
476.27832	34.9
477.28168	1.1
477.96283	0.1
507.27249	1.0
587.76642	0.1
689.42712	0.1
836.12726	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	953.564
Annotation	Unknow
Peak:m/z	Relative Intensity
67.56277	0.0
72.23885	0.1
78.95894	19.4
83.00597	0.1
84.42547	0.0
93.62151	0.1
104.97445	0.1
122.00107	1.0
122.98500	0.1
124.01662	0.1
128.58284	0.1
134.98499	0.1
140.01178	7.0
152.99574	1.8
166.02736	0.3
172.20055	0.1
190.55542	0.1
196.03795	11.8
197.04140	0.1
214.04871	2.2
261.22272	0.5
270.65012	0.1
279.23285	100.0
280.23605	2.5
379.18784	0.1
431.82172	0.1
476.27832	58.6
477.28247	1.5
685.66797	0.1
898.65521	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	958.6236
Annotation	Unknow
Peak:m/z	Relative Intensity
67.67395	0.3
78.95901	12.9
97.06597	0.4
99.08132	3.4
121.02938	1.8
152.99579	2.9
155.14462	3.5
168.04305	3.5
171.17200	0.3
224.06937	10.5
225.22238	6.0
235.20609	0.5
242.08101	2.7
253.21642	0.6
269.21262	1.4
271.22794	100.0
272.23224	2.8
457.09317	0.7
496.30502	75.8
497.30893	3.0
511.26636	0.6
518.13281	0.4
570.34076	4.3
571.08923	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	963.5821
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95906	14.3
94.99034	0.4
102.15518	0.1
104.97482	0.7
110.98530	12.9
111.11437	0.1
137.00085	0.5
152.99591	0.4
157.25363	0.1
167.01140	12.6
168.01514	0.1
185.02197	2.7
239.07423	0.1
255.23257	0.1
261.22174	0.5
279.23300	100.0
280.23627	3.9
315.09692	0.1
353.96198	0.1
447.25192	50.6
448.25577	2.3
469.93387	0.1
781.47101	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	963.6868
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99261	0.1
80.05080	0.2
81.03449	6.6
83.05022	19.9
98.91498	0.1
100.07685	0.2
107.06132	0.4
108.04556	0.7
125.07178	1.6
126.05618	0.5
143.08272	0.5
149.02383	0.4
157.13557	0.1
159.57462	0.1
164.04762	0.2
168.00536	0.1
175.00392	0.5
181.17094	0.2
183.14964	0.2
190.02739	1.0
199.18225	0.2
205.05031	0.9
206.05559	0.1
207.15018	1.7
223.06122	0.2
224.17677	4.1
224.19896	0.2
225.16089	17.4
242.18781	1.1
265.07056	0.2
268.16635	0.2
290.22559	0.2
291.20734	0.2
309.21857	1.4
314.64206	0.1
324.26523	1.1
330.46332	0.1
333.23138	0.9
339.27704	0.1
341.29239	1.5
351.23981	0.2
357.13837	0.1
367.27087	1.8
383.30133	0.1
385.28256	0.6
407.33969	0.2
433.31995	1.8
450.34528	2.2
451.32919	15.1
452.33109	0.8
468.35303	0.2
535.38531	0.2
550.43665	1.1
565.44135	0.1
567.45941	1.3
593.44183	0.9
659.48981	0.7
676.51593	0.8
677.49878	3.6
776.60449	1.4
791.61462	0.6
878.10071	0.1
885.65625	1.5
903.66614	100.0
904.66669	5.8
963.29688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.6559
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03461	8.0
82.03802	1.4
83.05034	19.0
84.05363	4.0
90.95235	1.4
91.53323	1.8
97.45496	1.6
101.53277	1.3
225.16109	9.5
226.16499	9.0
319.25699	2.0
413.24582	1.7
451.33041	3.9
452.33310	10.1
453.33597	7.3
727.62903	1.9
781.79950	1.9
904.66693	10.0
905.67102	53.4
906.67505	100.0
907.66370	2.7
932.62811	2.4
966.66095	88.4
967.66565	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	967.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
67.64748	0.1
78.95895	12.3
88.65001	0.1
92.30554	0.1
92.35501	0.1
96.96971	1.2
109.35830	0.1
110.90623	0.1
116.09428	0.1
130.49770	0.1
134.98505	0.1
150.97987	0.7
152.99582	29.7
159.30965	0.1
171.00609	1.5
227.03278	2.9
237.22173	0.2
244.40364	0.1
245.04343	0.8
255.23303	100.0
256.23608	2.6
279.23267	0.5
334.93417	0.1
337.25366	0.1
362.03421	0.1
364.47952	0.2
409.23520	0.2
467.00687	0.1
483.27328	63.5
484.27765	2.0
499.35651	0.1
821.98419	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	969.5953
Annotation	Unknow
Peak:m/z	Relative Intensity
78.34236	0.1
78.95473	0.2
78.95897	5.1
79.80723	0.1
92.12299	0.3
92.65157	0.2
133.50810	0.2
136.31682	0.1
140.01202	2.3
152.99599	0.7
175.05305	0.2
196.03783	1.3
214.04872	3.0
261.22198	0.2
279.23288	100.0
280.23621	2.8
292.65952	0.1
318.72296	0.2
476.27832	35.7
477.28198	1.2
642.32202	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5952
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.9
71.01379	20.6
72.99301	1.9
73.02949	4.2
81.03458	1.4
83.01375	3.2
85.02944	4.9
87.00867	4.7
89.01879	0.8
89.02434	23.5
92.12395	0.9
95.01368	1.7
97.02928	4.6
99.00863	2.2
101.02431	21.1
113.02445	8.3
115.03977	0.4
119.03484	6.4
125.02438	6.7
131.03535	0.5
133.05040	0.7
139.03958	0.5
143.03500	3.1
157.08617	0.4
161.04576	4.0
179.05614	2.6
179.14394	0.8
181.12146	0.4
195.13898	12.5
195.15628	0.6
205.12373	0.6
205.16074	0.5
221.06664	1.7
223.13373	9.3
228.13731	1.6
231.21150	0.5
235.08206	7.7
253.09296	1.6
256.13132	2.3
263.07770	0.8
275.20206	5.9
279.23288	74.2
280.23727	1.9
281.66080	0.4
287.07773	2.4
293.21243	100.0
294.21542	2.1
305.08908	2.7
323.09808	0.5
332.75772	0.4
379.12140	0.6
397.13519	74.9
398.13950	1.8
415.14609	23.7
435.42819	0.4
677.37671	6.9
716.52679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.574
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24696	0.2
78.95898	11.6
80.43158	0.2
96.96925	0.5
122.80842	0.2
150.98010	0.3
152.99588	23.7
163.55998	0.3
171.00641	0.5
179.55840	0.3
227.03329	2.5
245.04395	1.1
255.23309	100.0
256.23590	3.8
279.23279	0.4
409.23840	0.3
483.27341	57.1
484.27832	2.9
490.29373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.6049
Annotation	Unknow
Peak:m/z	Relative Intensity
76.72038	0.1
78.95892	12.4
96.96938	1.1
134.98512	0.2
150.98079	0.3
152.99574	32.0
158.19572	0.1
171.00574	1.8
227.03252	3.0
237.22234	0.2
245.04260	0.8
255.23293	100.0
256.23639	2.4
483.27307	67.6
484.27634	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	982.6243
Annotation	Unknow
Peak:m/z	Relative Intensity
68.52980	0.3
78.95898	14.6
88.15121	0.2
92.61173	0.3
101.11845	0.3
136.01657	0.3
137.25684	0.3
152.99570	1.8
154.02745	4.1
210.05394	8.4
228.06422	0.7
255.23299	100.0
256.23633	2.6
258.01935	0.3
466.29391	49.5
467.29871	0.7
536.21173	0.4
997.87543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
71.39900	0.1
72.23005	0.1
78.95895	10.3
96.96951	1.1
106.65195	0.1
150.98015	0.3
152.99577	21.7
153.99893	0.1
171.00616	1.6
214.04784	0.1
227.03273	2.0
245.04320	1.4
261.22290	0.5
279.23288	100.0
280.23636	4.8
280.26157	0.1
429.46518	0.1
467.25430	0.1
476.27625	0.5
507.27307	55.4
508.27618	3.4
753.00983	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	984.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
73.15147	0.1
78.95895	16.3
83.92720	0.1
87.54987	0.1
91.38168	0.1
92.11639	0.1
96.96380	0.2
96.96943	1.6
107.91887	0.1
134.98557	0.1
140.01169	0.1
150.98027	0.6
152.99576	33.1
153.99942	0.2
171.00635	1.8
173.55864	0.1
196.03758	0.2
227.03246	3.5
245.04330	1.1
248.92365	0.1
261.22263	0.4
279.23288	100.0
280.23624	3.9
288.47684	0.1
363.08896	0.1
415.22440	0.2
476.27640	0.8
507.27301	73.8
508.27637	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	987.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	1.2
73.02916	0.2
83.01363	0.1
85.02943	0.5
93.03442	0.2
95.01386	0.1
99.00856	0.1
101.02432	0.6
105.03472	0.1
108.02166	1.6
109.02945	3.1
113.02425	0.5
117.03474	0.1
121.02946	4.2
122.03748	2.0
123.00876	0.8
123.04489	1.6
124.01626	0.3
134.03725	1.6
135.04492	0.2
136.01633	0.1
136.05292	1.5
137.02382	1.1
137.06078	0.3
138.03183	0.3
143.05009	0.7
145.02913	0.5
145.06540	0.1
146.03723	1.7
147.04517	8.0
148.05307	4.5
149.02452	2.0
149.06056	0.3
150.03220	7.2
151.03998	0.8
153.05608	0.7
154.02722	0.3
158.03722	2.2
159.03183	0.3
159.04509	8.1
160.05293	26.5
161.02454	0.2
161.06071	14.4
162.03304	0.3
162.06876	1.6
163.04004	6.2
164.04788	6.2
165.01933	0.3
168.04280	0.7
173.06064	3.2
174.06807	0.3
175.07639	29.1
176.04803	0.7
176.07980	0.3
177.05573	7.7
178.02740	0.2
178.06360	7.0
179.03510	0.1
179.06775	0.2
191.07100	0.5
192.07890	1.2
193.05054	0.7
193.08710	3.7
241.08607	0.2
252.07976	0.2
266.09491	0.5
267.06601	0.2
268.07425	1.5
269.08182	2.0
281.53278	0.1
283.09796	2.5
284.10547	8.4
297.11276	0.2
298.12274	0.5
299.12912	10.7
300.13284	0.3
314.11661	0.8
329.13971	100.0
330.14255	3.8
373.12955	3.0
451.33209	0.1
491.19244	13.5
492.19366	0.6
535.18243	27.2
536.18396	1.7
690.86957	0.2
968.47266	0.1
980.05566	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	988.5899
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92126	0.1
78.95895	11.5
92.72133	0.1
96.96943	1.2
107.38479	0.1
134.98523	0.2
150.98027	0.5
152.99582	23.9
171.00612	1.6
227.03268	3.3
232.07982	0.1
245.04269	1.1
255.23303	100.0
256.23645	2.3
279.23206	0.3
391.22882	0.2
409.93692	0.1
483.27328	54.7
484.27670	2.2
555.28674	0.2
795.73956	0.2
819.01935	0.1
886.98364	0.2
989.52142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5798
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00845	0.3
78.95896	24.6
80.55118	0.3
86.54262	0.3
114.38770	0.3
116.92884	0.3
118.17628	0.3
122.00101	0.5
140.00174	0.5
140.01189	9.1
152.99580	2.4
196.03793	13.8
214.04915	2.5
233.22729	0.3
259.20877	0.6
275.20209	0.5
277.21732	100.0
278.22046	4.6
440.14514	0.3
474.26294	82.7
475.26425	4.1
502.29590	0.7
514.26385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.5948
Annotation	Unknow
Peak:m/z	Relative Intensity
77.75668	0.2
78.18842	0.2
78.95907	100.0
96.96963	9.0
126.10629	0.2
130.43451	0.2
140.01164	0.5
152.98325	0.5
152.99591	23.4
171.00645	30.1
172.01048	0.3
203.98837	0.2
277.21527	0.4
402.24310	3.6
476.27859	75.8
477.28223	3.4
687.04755	0.3
711.71552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.6172
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11399	0.2
76.40429	0.2
78.95900	12.8
85.87082	0.2
91.55824	0.2
92.91136	0.2
97.11525	0.2
152.99608	3.2
155.98384	0.2
168.04298	2.4
224.06949	7.2
225.30589	0.2
227.20186	100.0
228.20526	2.3
242.08038	1.6
251.95453	0.2
452.27875	55.1
453.28375	1.1
476.27606	0.4
526.31714	3.7
601.94989	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.6234
Annotation	Unknow
Peak:m/z	Relative Intensity
75.36060	0.1
78.95894	14.9
79.83681	0.0
104.97427	0.1
122.00127	0.8
122.98504	0.1
134.98561	0.1
140.01180	6.1
145.66090	0.1
152.98445	0.1
152.99586	1.6
166.02721	0.1
196.03796	10.2
197.04219	0.1
214.04869	1.9
223.14905	0.1
247.61823	0.1
281.24847	100.0
282.25201	3.3
478.29398	54.3
479.29736	2.3
536.50610	0.1
753.81378	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	995.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01363	0.7
79.01854	0.2
80.08089	0.1
82.56319	0.1
83.01366	0.1
86.26073	0.1
91.05492	0.2
92.72073	0.1
93.03438	0.9
100.10955	0.1
107.01382	0.1
117.03438	3.3
119.05025	0.3
125.62333	0.1
129.54602	0.1
131.05016	0.2
131.27426	0.1
133.06575	0.2
135.04498	1.4
137.02434	0.2
137.34520	0.1
145.03000	0.2
147.04482	0.3
149.02417	0.7
149.06078	0.2
151.04045	0.2
153.01939	0.9
154.04156	0.1
159.04500	0.2
161.02420	2.0
161.06050	0.5
162.03259	0.2
163.03986	1.3
166.31721	0.1
168.04237	1.0
170.63286	0.1
173.02464	0.1
175.03963	1.5
177.01866	0.6
177.05585	1.0
179.03467	0.2
183.06706	0.4
185.02361	0.2
187.04012	0.2
189.01950	0.6
189.05690	0.5
191.03487	1.5
197.06090	0.3
199.03952	0.2
201.01900	0.2
203.03497	1.3
205.01460	0.2
205.05063	0.3
209.06291	0.1
217.05154	0.6
221.04558	0.6
224.08403	0.2
225.05583	0.5
225.09244	0.2
227.03438	0.2
231.02849	0.2
233.04475	1.1
237.05551	0.3
238.06297	0.2
245.04576	0.6
251.07368	0.2
253.08661	0.6
257.04355	0.2
267.06549	0.8
268.07425	1.3
269.04587	0.3
279.06586	0.2
281.04572	1.0
281.07632	0.2
282.05399	1.7
283.06091	2.8
293.04639	0.5
293.07892	0.2
294.05429	0.2
295.06110	4.9
296.06863	2.6
297.07675	19.1
298.08023	0.5
306.05484	0.2
307.06226	2.1
309.07635	2.8
311.05551	3.5
314.04510	0.2
319.06247	0.2
321.04077	0.3
321.07523	0.3
322.04883	0.2
323.05634	4.1
323.09210	0.3
324.06363	0.8
325.07159	7.6
328.02121	0.2
328.05869	4.6
335.05734	1.8
337.07208	4.0
341.06741	1.0
347.05753	0.2
349.07202	0.2
351.05008	0.9
351.09024	0.2
353.06668	41.4
354.07031	1.7
355.08185	1.4
356.05164	1.0
361.07190	0.2
365.02094	0.2
365.06650	6.6
366.06741	0.2
367.08121	0.3
377.06781	0.2
379.08090	1.0
383.07724	38.1
384.08240	1.7
389.06851	0.2
395.07727	3.7
397.09271	0.9
407.07635	1.5
409.09280	0.2
413.08771	5.6
414.08820	0.2
419.07849	0.2
425.08835	4.7
437.08600	0.6
443.09793	6.8
455.09903	1.2
473.10876	5.3
474.10959	0.2
485.10855	0.6
495.83365	0.2
503.11926	2.7
545.13013	1.3
563.14081	100.0
564.14398	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	995.6114
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	0.1
73.62827	0.0
78.95898	18.5
80.41616	0.0
81.16833	0.0
104.97443	0.1
111.00765	0.0
114.39387	0.1
122.00105	1.0
122.98497	0.3
125.16125	0.0
134.98471	0.2
140.01183	7.0
142.21895	0.0
144.78165	0.0
149.72635	0.0
150.14082	0.1
152.99585	2.0
166.02739	0.3
196.03801	10.8
197.04210	0.1
214.04881	2.6
261.22119	0.4
279.23294	100.0
280.23639	4.0
280.26166	0.1
300.66272	0.1
414.49014	0.1
440.60028	0.1
476.27850	63.7
477.28159	3.2
660.48022	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	995.611
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08647	0.1
78.95898	4.6
109.70612	0.1
122.00121	0.3
140.00172	0.1
140.01181	2.5
140.85553	0.1
152.99573	0.8
196.03793	1.3
199.08580	0.1
214.04886	2.5
231.24792	0.1
261.22162	0.5
279.23303	100.0
280.23645	4.1
283.00809	0.1
305.42279	0.1
476.27878	37.8
477.28171	2.0
504.31253	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	997.5868
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95897	10.2
96.96932	0.9
107.85155	0.1
115.01752	0.1
122.13093	0.1
138.63882	0.1
150.98077	0.2
152.99579	19.9
171.00583	1.1
227.03233	2.1
245.04333	1.0
255.23300	100.0
256.23627	2.9
279.23315	0.8
280.23608	0.5
364.81735	0.2
391.22940	0.2
478.29248	0.2
483.27313	48.9
484.27621	1.7
490.29916	0.1
603.93719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6102
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01361	15.8
73.02953	3.3
77.00667	3.1
81.20389	3.2
85.02925	4.8
89.02427	21.2
97.02894	4.5
101.02426	23.7
113.02444	13.9
119.03482	5.8
125.02456	6.3
277.18896	4.1
277.21768	82.4
279.23282	100.0
379.12354	21.1
397.13434	47.5
415.14478	5.6
480.23026	3.7
599.54108	3.5
708.25726	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	999.642
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95892	17.3
84.48237	0.2
88.09870	0.1
91.09561	0.1
96.41145	0.1
100.56663	0.2
119.68937	0.1
119.93359	0.2
120.83105	0.1
122.00109	0.7
122.98479	0.2
136.56129	0.1
140.01178	6.7
152.99576	2.2
153.29695	0.2
196.03789	9.6
199.18008	0.2
214.04820	1.7
255.23294	0.4
263.50629	0.2
263.93491	0.2
279.23111	0.3
281.24844	100.0
282.25238	3.9
478.29398	58.6
479.29785	3.8
481.87375	0.2
671.34869	0.2
END